0 B8R0.9 C(CC(=O)O)C(=O)C=O CHEBI:17204 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:132969 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:17549 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 C(CC(=O)O)C(=O)C[NH3+] CHEBI:132970 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.9 C(CC(=O)O)C(C#N)N CHEBI:28474 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.9 C(CC(=O)O)[C@@H](C#N)N CHEBI:50614 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.9 C(CC(=O)O)[C@@H](C=O)N CHEBI:15757 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.9 C(CC(=O)O)[C@H](C#N)N CHEBI:50615 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.9 C(CC(=O)[O-])C(=O)C=O CHEBI:58055 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.9 C(CC(=O)[O-])[C@@H](C=O)N CHEBI:11022 [0,0,0,0,0,0|1,0,1]=2 10 B8R0.9 C(CC(=O)[O-])[C@@H](C=O)[NH3+] CHEBI:57501 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.9 C=CC(CCC(=O)O)N CHEBI:63638 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.9 COC(=O)CCC(=O)O CHEBI:75146 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 C#CCCCC(=O)O CHEBI:73511 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.4 C(C#N)NCC(=O)O CHEBI:71209 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 C(CC=O)CC(=O)O CHEBI:39153 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.4 C(CC=O)CC(=O)[O-] CHEBI:16120 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 C(CCCl)CC(=O)O CHEBI:60701 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 C(CCN)CC(=O)N CHEBI:18120 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 C(CCN)CC(=O)O CHEBI:15887 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.4 C(CCN)CC(=O)[O-] CHEBI:86394 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 C(CCO)CC(=O)O CHEBI:45564 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 C(CCO)CC(=O)[O-] CHEBI:16230 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.4 C(CC[NH3+])CC(=O)N CHEBI:58382 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 C(CC[NH3+])CC(=O)[O-] CHEBI:356010 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.4 CC(=O)NCCC=O CHEBI:30322 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.4 CCCCCC(=O)C CHEBI:5672 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.4 CCCCCC(=O)O CHEBI:30776 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.4 CCCCCC(=O)[O-] CHEBI:114126 [1,0,0,0,0,0|0,0,3]=4 29 B7R0.4 CCCCCC(=O)[O-] CHEBI:17120 [1,0,0,0,0,0|0,0,3]=4 30 B7R0.4 CNCCCC(=O)O CHEBI:37755 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.4 CNCCCC(=O)[O-] CHEBI:20441 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.4 C[NH2+]CCCC(=O)[O-] CHEBI:66882 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.4 C\C=C/CCC(=O)O CHEBI:38357 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.4 C\C=C\CCC(=O)O CHEBI:38355 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.4 C\C=C\CCC(=O)O CHEBI:38356 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.6 C(C(=O)O)NC(=N)N CHEBI:16344 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.6 C(C(=O)O)NC(=O)N CHEBI:133351 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.6 C(CC(=O)O)C(=O)N CHEBI:50398 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.6 C(CC(=O)O)C(=O)O CHEBI:15741 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.6 C(CC(=O)[O-])C(=O)O CHEBI:30779 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.6 C(CS(=O)O)C(=O)O CHEBI:79222 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.6 C(C[N+](=O)[O-])C(=O)O CHEBI:16348 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.6 CC(=O)CCC(=O)O CHEBI:45630 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.6 CC(C)CCC(=O)O CHEBI:74903 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.6 CC(C)CCC(=O)[O-] CHEBI:74904 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.6 CC(CCC(=O)C)O CHEBI:78816 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.6 C[C@H](CCC(=O)C)O CHEBI:78817 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.6 C[C@H](CCC(=O)O)O CHEBI:79019 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.7 C(CC(=O)N)C(C(=O)O)N CHEBI:28300 [0,1,0,0,0,0|2,0,0]=3 50 B9R0.7 C(CC(=O)N)C(C(=O)O)[NH3+] CHEBI:32679 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.7 C(CC(=O)N)C(C(=O)[O-])N CHEBI:32678 [0,1,0,0,0,0|2,0,0]=3 52 B9R0.7 C(CC(=O)N)[C@@H](C(=O)N)N CHEBI:21309 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N CHEBI:18050 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)[NH3+] CHEBI:32666 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.7 C(CC(=O)N)[C@@H](C(=O)[O-])N CHEBI:32665 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.7 C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+] CHEBI:58359 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N CHEBI:17061 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)[NH3+] CHEBI:32673 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.7 C(CC(=O)N)[C@H](C(=O)[O-])N CHEBI:32672 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.7 C(CC(=O)N)[C@H](C(=O)[O-])[NH3+] CHEBI:58000 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.7 C(CC(=O)O)C(=O)C(=O)N CHEBI:30883 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.7 C(CC(=O)O)C(=O)C(=O)O CHEBI:30915 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.7 C(CC(=O)O)C(=O)C(=O)[O-] CHEBI:30916 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.7 C(CC(=O)O)C(C(=O)O)N CHEBI:18237 [0,1,0,0,0,0|1,0,0]=2 65 B9R0.7 C(CC(=O)O)C(C(=O)O)N CHEBI:53373 [0,1,0,0,0,0|1,0,0]=2 66 B9R0.7 C(CC(=O)O)C(C(=O)O)O CHEBI:17084 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CHEBI:16015 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CHEBI:53374 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)O CHEBI:32797 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N CHEBI:15966 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N CHEBI:53375 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)O CHEBI:32796 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N CHEBI:29987 [0,1,0,0,0,0|1,0,1]=3 74 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O CHEBI:11596 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O CHEBI:36149 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])[NH3+] CHEBI:14321 [0,1,0,0,0,0|1,0,2]=4 77 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])[NH3+] CHEBI:64220 [0,1,0,0,0,0|1,0,2]=4 78 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])N CHEBI:29988 [0,1,0,0,0,0|1,0,1]=3 79 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])N CHEBI:91250 [0,1,0,0,0,0|1,0,1]=3 80 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])O CHEBI:16782 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CHEBI:29985 [0,1,0,0,0,0|1,0,2]=4 82 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CHEBI:64243 [0,1,0,0,0,0|1,0,2]=4 83 B9R0.7 C(CC(=O)[O-])[C@H](C(=O)[O-])N CHEBI:29989 [0,1,0,0,0,0|1,0,1]=3 84 B9R0.7 C(CC(=O)[O-])[C@H](C(=O)[O-])O CHEBI:15801 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.7 C(CC(=O)[O-])[C@H](C(=O)[O-])[NH3+] CHEBI:29986 [0,1,0,0,0,0|1,0,2]=4 86 B9R0.7 C(CC(=O)[O-])[C@H](C(=O)[O-])[NH3+] CHEBI:64244 [0,1,0,0,0,0|1,0,2]=4 87 B9R0.7 C([C@@H](C(=O)O)N)OC(=O)N CHEBI:15970 [0,1,0,0,0,0|3,0,0]=4 88 B9R0.7 C=C(CCC(=O)O)C(=O)O CHEBI:17207 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.7 CC(=O)CCC(C(=O)O)N CHEBI:19450 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.7 CC(=O)CCC(C(=O)[O-])N CHEBI:1010 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N CHEBI:17981 [0,1,0,0,0,0|3,0,0]=4 92 B9R0.7 CC(CCC(=O)O)C(=O)O CHEBI:68567 [0,1,0,0,0,0|2,0,0]=3 93 B9R0.7 CC(CCC(=O)[O-])C(=O)[O-] CHEBI:84980 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.7 CS(=O)CCC(C(=O)O)N CHEBI:49033 [0,1,0,0,0,0|3,0,0]=4 95 B9R0.7 CS(=O)CC[C@@H](C(=O)O)N CHEBI:17016 [0,1,0,0,0,0|3,0,0]=4 96 B9R0.7 CS(=O)CC[C@H](C(=O)O)N CHEBI:49034 [0,1,0,0,0,0|3,0,0]=4 97 B9R0.7 C[C@H](C(=O)O)NCC(=O)O CHEBI:16439 [0,1,0,0,0,0|3,0,0]=4 98 B9R0.7 C[S@@](=O)CC[C@@H](C(=O)O)N CHEBI:49032 [0,1,0,0,0,0|3,0,0]=4 99 B9R0.7 C[S@@](=O)CC[C@H](C(=O)O)N CHEBI:49035 [0,1,0,0,0,0|3,0,0]=4 100 B9R0.7 C[S@](=O)CC[C@@H](C(=O)O)N CHEBI:49031 [0,1,0,0,0,0|3,0,0]=4 101 B9R0.7 C[S@](=O)CC[C@H](C(=O)O)N CHEBI:49036 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.23 C([C@@H]([C@@H](CO)O)O)C(=O)O CHEBI:86350 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.24 [C@@H2]([C@@H2][C@@H](N)C=O)[C@H](O)CN CHEBI:32573 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.42 C([C@H](C=O)O)[C@@H](C(=O)O)N CHEBI:27809 [0,1,0,0,0,0|2,0,0]=3 105 B9R0.42 C([C@H](C=O)O)[C@@H](C(=O)[O-])[NH3+] CHEBI:62637 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.42 CC(C=O)OC(C)C(=O)O CHEBI:87268 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.42 C[C@H](C[C@@H](C(=O)O)N)C=O CHEBI:43739 [0,1,0,0,0,0|2,0,0]=3 108 B9R0.48 C=CCC(=O)NCC(=O)O CHEBI:74435 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.35 C1C(C=NC1C(=O)O)O CHEBI:27391 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.35 C1C(C=NC1C(=O)[O-])O CHEBI:58509 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.35 C1C(CNC1C(=O)O)O CHEBI:20392 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.35 C1[C@@H](C=N[C@H]1C(=O)O)O CHEBI:37005 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CHEBI:28397 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.35 C1[C@H](C=N[C@@H]1C(=O)O)O CHEBI:6151 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.35 C1[C@H](C=N[C@@H]1C(=O)[O-])O CHEBI:62612 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CHEBI:18095 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O CHEBI:16231 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.35 C1[C@H](NCC1O)C(=O)O CHEBI:18240 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.69 C1CC(=O)NC(=O)C1N CHEBI:133469 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.69 C1CC(=O)NC(=O)C1[NH3+] CHEBI:133471 [0,0,0,1,0,0|2,0,1]=4 121 B7R0.2 C(C(=O)O)N(C=O)O CHEBI:43040 [0,0,0,0,1,0|3,0,0]=4 122 B7R0.2 C(C(CN)O)C(=O)O CHEBI:16080 [0,0,0,0,1,0|2,0,1]=4 123 B7R0.2 C(C(CO)O)C(=O)O CHEBI:86371 [0,0,0,0,1,0|2,0,1]=4 124 B7R0.2 C([C@H](CO)N)C(=O)O CHEBI:41011 [0,0,0,0,1,0|1,0,1]=3 125 B6R0.4 C(C(=O)O)NC=N CHEBI:18415 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.4 C(C(=O)O)NC=O CHEBI:21717 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [2,0,0,0,0,0|0,0,0]=2 129 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.4 C(CC(=O)[O-])C=O CHEBI:57706 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.4 C(CC(=O)[O-])CN CHEBI:30566 [2,0,0,0,0,0|0,0,1]=3 132 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.4 C(CC(=O)[O-])C[NH3+] CHEBI:59888 [2,0,0,0,0,0|0,0,2]=4 134 B6R0.4 C=CCCC(=O)O CHEBI:35936 [2,0,0,0,0,0|0,0,0]=2 135 B6R0.4 C=CCCC(=O)[O-] CHEBI:35935 [2,0,0,0,0,0|0,0,1]=3 136 B6R0.4 C=C\C=C\C(=O)O CHEBI:35964 [2,0,0,0,0,0|0,0,2]=4 137 B6R0.4 C=C\C=C\C(=O)O CHEBI:37331 [2,0,0,0,0,0|0,0,2]=4 138 B6R0.4 CC(=O)CCC=O CHEBI:87363 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.4 CC(=O)SCCN CHEBI:17853 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 CC(C)CCC=O CHEBI:17998 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.4 CCCCC(=O)N CHEBI:16459 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.4 CCCCC(=O)O CHEBI:17418 [2,0,0,0,0,0|0,0,1]=3 143 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [2,0,0,0,0,0|0,0,2]=4 144 B6R0.4 CCNCC(=O)O CHEBI:15620 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.4 CSCCC(=O)O CHEBI:1438 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.4 C\C=C/CC(=O)O CHEBI:38369 [2,0,0,0,0,0|0,0,2]=4 147 B6R0.4 C\C=C\CC(=O)O CHEBI:38368 [2,0,0,0,0,0|0,0,2]=4 148 B6R0.4 C\C=C\CC(=O)O CHEBI:38370 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.6 C(CC=O)CC=O CHEBI:64276 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.6 CCCCCC=O CHEBI:88528 [2,0,0,0,0,0|0,0,2]=4 151 B8R0.8 C(C[C@@H](C(=O)O)N)C=O CHEBI:17232 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.8 C(C[C@@H](C(=O)[O-])[NH3+])C=O CHEBI:58066 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.5 CCCC(CC(=O)O)O CHEBI:37035 [1,1,0,0,0,0|0,0,2]=4 154 B8R0.5 CCC[C@@H](CC(=O)O)O CHEBI:37049 [1,1,0,0,0,0|0,0,2]=4 155 B8R0.7 C(CCC(=O)O)CC=O CHEBI:2490 [1,1,0,0,0,0|0,0,1]=3 156 B8R0.7 C(CCC(=O)O)CCBr CHEBI:60700 [1,1,0,0,0,0|0,0,2]=4 157 B8R0.7 C(CCC(=O)O)CCN CHEBI:16586 [1,1,0,0,0,0|0,0,2]=4 158 B8R0.7 C(CCC(=O)O)CCN CHEBI:79212 [1,1,0,0,0,0|0,0,2]=4 159 B8R0.7 C(CCC(=O)O)CCO CHEBI:17869 [1,1,0,0,0,0|0,0,2]=4 160 B8R0.7 C(CCC(=O)[O-])CC=O CHEBI:18322 [1,1,0,0,0,0|0,0,2]=4 161 B8R0.7 C=CCCCCC(=O)O CHEBI:38363 [1,1,0,0,0,0|0,0,0]=2 162 B8R0.7 CC(=O)CCCCC=C CHEBI:87581 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.7 CC(=O)NCCCC=O CHEBI:7386 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.7 CC(=O)OCCCC=C CHEBI:87515 [1,1,0,0,0,0|1,0,0]=3 165 B8R0.7 CC(CCCCC=C)O CHEBI:87586 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.7 CCCCCCC(=O)O CHEBI:45571 [1,1,0,0,0,0|0,0,2]=4 167 B8R0.28 C(C(=O)O)NCC(=O)O CHEBI:24786 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.28 C(C(=O)O)SCC(=O)O CHEBI:35012 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.28 C(CC(=O)N)CC(=O)O CHEBI:24326 [1,1,0,0,0,0|1,0,0]=3 170 B8R0.28 C(CC(=O)N)CC(=O)[O-] CHEBI:35908 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.28 C(CC(=O)O)CC(=O)O CHEBI:17859 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.28 C(CC(=O)O)CC(=O)[O-] CHEBI:35907 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] CHEBI:30921 [1,1,0,0,0,0|1,0,1]=4 174 B8R0.28 C(CNC(=N)N)C(=O)O CHEBI:15968 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.28 C(CNC(=O)N)C(=O)O CHEBI:18261 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.28 C(CNC(=O)O)C(=O)O CHEBI:21694 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.28 CC(=O)CCCC(=O)O CHEBI:15888 [1,1,0,0,0,0|0,0,1]=3 178 B8R0.28 CC(=O)CCCC(=O)[O-] CHEBI:12154 [1,1,0,0,0,0|0,0,2]=4 179 B8R0.28 CC(=O)NCCC(=O)O CHEBI:16682 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.28 CC(CCCC(=O)O)O CHEBI:131434 [1,1,0,0,0,0|0,0,2]=4 181 B8R0.28 C[C@H](CCCC(=O)O)O CHEBI:78842 [1,1,0,0,0,0|0,0,2]=4 182 B8R0.23 C(C(C(=O)N)N)C(=O)O CHEBI:49010 [1,1,0,0,0,0|1,0,1]=4 183 B8R0.23 C(C(C(=O)O)N)C(=O)N CHEBI:22653 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.23 C(C(C(=O)O)[NH3+])C(=O)N CHEBI:32661 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O CHEBI:21248 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CHEBI:17196 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.23 C([C@@H](C(=O)O)[NH3+])C(=O)N CHEBI:32651 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.23 C([C@H](C(=O)N)N)C(=O)O CHEBI:49011 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.23 C([C@H](C(=O)O)N)C(=O)N CHEBI:28159 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.23 C([C@H](C(=O)O)[NH3+])C(=O)N CHEBI:32657 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.23 C=C(C[C@@H](C(=O)O)N)Cl CHEBI:15885 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.23 CC(C)C(CC(=O)O)N CHEBI:72772 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.23 CC(C)CC(C(=O)O)N CHEBI:25017 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.23 CC(C)CC(C(=O)O)O CHEBI:59783 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.23 CC(C)CC(C(=O)O)[NH3+] CHEBI:32628 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.23 CC(C)C[C@@H](C(=O)O)N CHEBI:15603 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.23 CC(C)C[C@@H](C(=O)O)O CHEBI:44510 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH3+] CHEBI:32620 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.23 CC(C)C[C@H](C(=O)O)N CHEBI:28225 [1,1,0,0,0,0|1,0,1]=4 200 B8R0.23 CC(C)C[C@H](C(=O)O)O CHEBI:55534 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.23 CC(C)C[C@H](C(=O)O)[NH3+] CHEBI:32624 [1,1,0,0,0,0|1,0,1]=4 202 B8R0.23 CC(C)[C@@H](CC(=O)O)N CHEBI:15604 [1,1,0,0,0,0|1,0,1]=4 203 B8R0.23 CC(C)[C@H](CC(=O)O)N CHEBI:86261 [1,1,0,0,0,0|1,0,1]=4 204 B8R0.23 CC(CC(C(=O)O)N)N CHEBI:904 [1,1,0,0,0,0|0,0,1]=3 205 B8R0.23 CC(CC(C(=O)[O-])N)N CHEBI:16594 [1,1,0,0,0,0|0,0,2]=4 206 B8R0.23 C[C@@H](C[C@H](C(=O)O)N)N CHEBI:4280 [1,1,0,0,0,0|0,0,1]=3 207 B8R0.23 C[C@@H](C[C@H](C(=O)[O-])N)N CHEBI:15601 [1,1,0,0,0,0|0,0,2]=4 208 B10R0.82 C(CC(C(=O)O)N)C(C=O)O CHEBI:65125 [0,1,0,0,0,1|2,0,0]=4 209 B10R0.82 C(C[C@@H](C(=O)O)N)[C@H](C=O)O CHEBI:65126 [0,1,0,0,0,1|2,0,0]=4 210 B10R0.98 C(CC(C(=O)O)N)CC(=O)O CHEBI:37024 [0,1,0,0,0,1|1,0,0]=3 211 B10R0.98 C(CC(C(=O)O)O)CC(=O)O CHEBI:17023 [0,1,0,0,0,1|2,0,0]=4 212 B10R0.98 C(CC(C(=O)[O-])N)CC(=O)[O-] CHEBI:84981 [0,1,0,0,0,1|1,0,1]=4 213 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O CHEBI:37023 [0,1,0,0,0,1|1,0,0]=3 214 B10R0.98 C(C[C@@H](C(=O)[O-])N)CC(=O)[O-] CHEBI:17082 [0,1,0,0,0,1|1,0,1]=4 215 B10R0.98 C(C[C@H](C(=O)O)N)CC(=O)O CHEBI:37025 [0,1,0,0,0,1|1,0,0]=3 216 B10R0.98 C(C[C@H](C(=O)O)O)CC(=O)O CHEBI:55541 [0,1,0,0,0,1|2,0,0]=4 217 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O CHEBI:16163 [0,1,0,0,0,1|1,0,0]=3 218 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N CHEBI:7351 [0,1,0,0,0,1|2,0,0]=4 219 B10R0.98 CC(=O)OCCC(C(=O)O)N CHEBI:7671 [0,1,0,0,0,1|2,0,0]=4 220 B10R0.98 CC(=O)OCC[C@@H](C(=O)O)N CHEBI:16288 [0,1,0,0,0,1|2,0,0]=4 221 B10R0.98 CC(=O)OCC[C@H](C(=O)O)N CHEBI:37034 [0,1,0,0,0,1|2,0,0]=4 222 B10R0.98 CC(C(=O)O)NCCC(=O)O CHEBI:15337 [0,1,0,0,0,1|2,0,0]=4 223 B10R0.98 C[C@@H](C(=O)O)NCCC(=O)O CHEBI:50532 [0,1,0,0,0,1|2,0,0]=4 224 B10R0.98 C[C@H](C(=O)O)NCCC(=O)O CHEBI:50531 [0,1,0,0,0,1|2,0,0]=4 225 B10R0.13 C(C([C@@H](C(=O)O)N)O)C(=O)O CHEBI:32809 [0,2,0,0,0,0|1,0,0]=3 226 B10R0.13 C(C([C@@H](C(=O)[O-])N)O)C(=O)[O-] CHEBI:17652 [0,2,0,0,0,0|1,0,1]=4 227 B10R0.13 C([C@@H]([C@@H](C(=O)O)N)O)C(=O)O CHEBI:48064 [0,2,0,0,0,0|1,0,0]=3 228 B10R0.13 C([C@H]([C@@H](C(=O)O)N)O)C(=O)O CHEBI:48063 [0,2,0,0,0,0|1,0,0]=3 229 B10R0.43 CC(C)(CCC(=O)O)C(=O)O CHEBI:68459 [0,2,0,0,0,0|2,0,0]=4 230 B10R0.43 C[C@](CCC(=O)N)(C(=O)O)N CHEBI:43949 [0,2,0,0,0,0|2,0,0]=4 231 B10R0.84 C(CC(=O)O)C(C=O)C(=O)O CHEBI:49075 [0,2,0,0,0,0|2,0,0]=4 232 B10R0.84 C(CC(=O)O)C(CO)C(=O)O CHEBI:49077 [0,2,0,0,0,0|2,0,0]=4 233 B10R0.84 C(CC(=O)O)[C@@H](CO)C(=O)O CHEBI:49076 [0,2,0,0,0,0|2,0,0]=4 234 B10R0.84 C(CC(=O)O)[C@H](CO)C(=O)O CHEBI:49078 [0,2,0,0,0,0|2,0,0]=4 235 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O CHEBI:16440 [0,2,0,0,0,0|1,0,0]=3 236 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N CHEBI:90324 [0,2,0,0,0,0|2,0,0]=4 237 B10R0.92 C(CS(=O)(=O)O)[C@@H](C(=O)O)N CHEBI:132223 [0,2,0,0,0,0|2,0,0]=4 238 B10R0.92 C(CS(=O)(=O)O)[C@H](C(=O)O)N CHEBI:132225 [0,2,0,0,0,0|2,0,0]=4 239 B10R0.92 CP(=O)(CCC(C(=O)O)N)O CHEBI:52136 [0,2,0,0,0,0|2,0,0]=4 240 B10R0.93 C([C@@H](C(=O)O)N)C(C(=O)O)O CHEBI:32811 [0,2,0,0,0,0|1,0,0]=3 241 B10R0.93 C([C@@H](C(=O)O)N)[C@H](C(=O)O)O CHEBI:21285 [0,2,0,0,0,0|1,0,0]=3 242 B10R0.93 C([C@@H](C(=O)[O-])N)C(C(=O)[O-])O CHEBI:16338 [0,2,0,0,0,0|1,0,1]=4 243 B10R0.93 C=C(CC(C(=O)O)N)C(=O)O CHEBI:48029 [0,2,0,0,0,0|1,0,1]=4 244 B10R0.93 C=C(C[C@@H](C(=O)O)N)C(=O)O CHEBI:48031 [0,2,0,0,0,0|1,0,1]=4 245 B10R0.93 C=C(C[C@H](C(=O)O)N)C(=O)O CHEBI:48032 [0,2,0,0,0,0|1,0,1]=4 246 B10R0.93 CC(C[C@@H](C(=O)O)N)C(=O)O CHEBI:20440 [0,2,0,0,0,0|1,0,0]=3 247 B10R0.56 C(=O)[C@@H]([C@H]([C@@H](C(=O)O)O)O)O CHEBI:46646 [0,2,0,0,0,0|2,0,0]=4 248 B10R0.26 C=CC[S@](=O)C[C@@H](C(=O)O)N CHEBI:2596 [0,2,0,0,0,0|2,0,0]=4 249 B10R0.96 C(CC(=O)O)C(CC(=O)O)N CHEBI:64303 [0,2,0,0,0,0|0,0,1]=3 250 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N CHEBI:40935 [0,2,0,0,0,0|0,0,1]=3 251 B10R0.96 CC(CCC(=O)O)CC(=O)O CHEBI:68503 [0,2,0,0,0,0|1,0,1]=4 252 B8R1.50 C=C1[C@H](COC1=O)O CHEBI:87123 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.4 C1CC(=O)CC(=O)C1 CHEBI:17766 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.4 C1CC(=O)NC(=O)C1 CHEBI:5435 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.7 C1CC(N=C1)C(=O)O CHEBI:1372 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.7 C1CC(N=C1)C(=O)[O-] CHEBI:15893 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.7 C1CC(NC1)C(=O)O CHEBI:26271 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.7 C1CC([NH2+]C1)C(=O)O CHEBI:32872 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.7 C1C[C@@H](N=C1)C(=O)O CHEBI:36750 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.7 C1C[C@@H](N=C1)C(=O)[O-] CHEBI:58667 [1,0,0,1,0,0|1,0,1]=4 261 B8R1.7 C1C[C@@H](NC1)C(=O)O CHEBI:16313 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.7 C1C[C@@H]([NH2+]C1)C(=O)O CHEBI:32868 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.7 C1C[C@H](N=C1)C(=O)O CHEBI:371 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.7 C1C[C@H](N=C1)C(=O)[O-] CHEBI:17388 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.7 C1C[C@H](NC1)C(=O)O CHEBI:17203 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)O CHEBI:32864 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.18 CC1CC(=O)OC1=O CHEBI:87587 [0,0,0,1,1,0|2,0,0]=4 268 B10R1.54 C1=CC(=O)OC1CC(=O)O CHEBI:18080 [0,0,0,1,0,1|1,0,1]=4 269 B10R1.54 C1=CC(=O)O[C@@H]1CC(=O)O CHEBI:48069 [0,0,0,1,0,1|1,0,1]=4 270 B10R1.54 C1=CC(=O)O[C@H]1CC(=O)O CHEBI:48068 [0,0,0,1,0,1|1,0,1]=4 271 B10R1.190 C=C1CC1CC(=O)C(=O)O CHEBI:133390 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.190 C=C1CC1CC(C(=O)O)N CHEBI:136270 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.190 C=C1CC1C[C@@H](C(=O)O)N CHEBI:134622 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.66 c1c(nc[nH]1)CCC(=O)O CHEBI:73087 [0,1,0,1,0,0|0,0,2]=4 275 B10R2.30 C[C@H]1C=CN2[C@H]1CC2=O CHEBI:46764 [0,0,0,2,0,0|2,0,0]=4 276 B6R0.2 C(C(=O)N)C(=O)O CHEBI:43991 [1,0,0,0,1,0|1,0,1]=4 277 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [1,0,0,0,1,0|1,0,1]=4 278 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [1,0,0,0,1,0|1,0,1]=4 279 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [1,0,0,0,1,0|0,0,1]=3 280 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [1,0,0,0,1,0|1,0,1]=4 281 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [1,0,0,0,1,0|0,0,2]=4 282 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [1,0,0,0,1,0|1,0,1]=4 283 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [1,0,0,0,1,0|1,0,1]=4 284 B6R0.3 C(=O)C(C(=O)O)N CHEBI:17740 [0,0,0,0,2,0|1,0,0]=3 285 B6R0.3 C(=O)C(C(=O)O)O CHEBI:16992 [0,0,0,0,2,0|2,0,0]=4 286 B6R0.3 C(=O)[C@@H](C(=O)O)N CHEBI:37012 [0,0,0,0,2,0|1,0,0]=3 287 B6R0.3 C(=O)[C@@H](C(=O)[O-])N CHEBI:58671 [0,0,0,0,2,0|1,0,1]=4 288 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,0,0,0,2,0|1,0,1]=4 289 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,0,0,0,2,0|1,0,1]=4 290 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,0,0,0,2,0|1,0,1]=4 291 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,0,0,0,2,0|1,0,1]=4 292 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,0,0,0,2,0|1,0,1]=4 293 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,0,0,0,2,0|1,0,1]=4 294 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,0,0,0,2,0|1,0,1]=4 295 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,0,0,0,2,0|1,0,1]=4 296 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,0,0,0,2,0|1,0,1]=4 297 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,0,0,0,2,0|1,0,1]=4 298 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,0,0,0,2,0|1,0,1]=4 299 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,0,0,0,2,0|1,0,1]=4 300 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,0,0,0,2,0|1,0,1]=4 301 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,0,0,0,2,0|1,0,1]=4 302 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,0,0,0,2,0|1,0,1]=4 303 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,0,0,0,2,0|1,0,1]=4 304 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,0,0,0,2,0|1,0,1]=4 305 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,0,0,0,2,0|1,0,1]=4 306 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,0,0,0,2,0|1,0,1]=4 307 B6R0.3 C=CC(=O)C(=O)O CHEBI:74021 [0,0,0,0,2,0|1,0,1]=4 308 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [0,0,0,0,2,0|2,0,0]=4 309 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,0,0,0,2,0|0,0,2]=4 310 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,0,0,0,2,0|0,0,2]=4 311 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,0,0,0,2,0|0,0,2]=4 312 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [0,0,0,0,2,0|2,0,0]=4 313 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [0,0,0,0,2,0|0,0,2]=4 314 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [0,0,0,0,2,0|0,0,2]=4