0 B9R0.39 C(C(C(=O)O)S[Au])C(=O)O CHEBI:38722 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.39 C([C@@H](C(=O)O)NC(=O)N)S CHEBI:64855 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.39 C([C@@H](C(=O)O)S[Au])C(=O)O CHEBI:38727 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.39 C([C@@H](C(=O)[O-])NC(=O)N)S CHEBI:64772 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CHEBI:45441 [0,0,0,0,0,0|0,1,0]=1 5 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CHEBI:28939 [0,0,0,0,0,0|0,0,0]=0 6 B9R0.39 CC(=O)N[C@@H](CS)C(=O)[O-] CHEBI:78236 [0,0,0,0,0,0|0,0,1]=1 7 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CHEBI:31882 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.39 [*]C[C@@H]([C@@H]([*])O)NC(=O)[*] CHEBI:17761 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.39 [*]C[C@@H]([C@@H]([*])O)NC(=O)[*] CHEBI:85813 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.39 [*][C@H]([C@H](CO)NC(=O)[*])O CHEBI:83273 [0,0,0,0,0,0|2,1,1]=4 11 B8R0.15 C(C=O)C(CO)C(=O)O CHEBI:17413 [1,0,0,0,0,0|1,1,0]=3 12 B8R0.15 C(C=O)C(CO)C(=O)[O-] CHEBI:58135 [1,0,0,0,0,0|1,1,1]=4 13 B8R0.23 C(=O)(C(=O)O)NC(=O)N CHEBI:16582 [1,0,0,0,0,0|1,1,1]=4 14 B8R0.23 C(C(=O)O)(N)NC(=O)N CHEBI:16282 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.23 C(C(=O)O)(NC(=O)N)O CHEBI:49050 [1,0,0,0,0,0|1,1,0]=3 16 B8R0.23 C(C(=O)[O-])([NH3+])NC(=O)N CHEBI:57714 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.23 C(C(C(=O)O)Br)C(=O)O CHEBI:73712 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.23 C(C(C(=O)O)Cl)C(=O)O CHEBI:90244 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.23 C(C(C(=O)O)N)C(=O)N CHEBI:22653 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.23 C(C(C(=O)O)N)C(=O)O CHEBI:22660 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.23 C(C(C(=O)O)O)C(=O)O CHEBI:6650 [1,0,0,0,0,0|2,1,0]=4 22 B8R0.23 C(C(C(=O)O)S)C(=O)O CHEBI:38705 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.23 C(C(C(=O)O)S)C(=O)[O-] CHEBI:38707 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.23 C(C(C(=O)O)[NH3+])C(=O)N CHEBI:32661 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.23 C(C(C(=O)O)[S-])C(=O)O CHEBI:38709 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.23 C(C(C(=O)[O-])S)C(=O)[O-] CHEBI:38712 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CHEBI:17196 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CHEBI:17053 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O CHEBI:30797 [1,0,0,0,0,0|2,1,0]=4 30 B8R0.23 C([C@@H](C(=O)O)S)C(=O)O CHEBI:38720 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.23 C([C@@H](C(=O)O)[NH3+])C(=O)N CHEBI:32651 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.23 C([C@H](C(=O)O)N)C(=O)N CHEBI:28159 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CHEBI:17364 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.23 C([C@H](C(=O)O)O)C(=O)O CHEBI:30796 [1,0,0,0,0,0|2,1,0]=4 35 B8R0.23 C([C@H](C(=O)O)S)C(=O)O CHEBI:38719 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.23 C([C@H](C(=O)O)[NH3+])C(=O)N CHEBI:32657 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.23 CC(=O)CC(=O)C(=O)O CHEBI:2424 [1,0,0,0,0,0|1,1,1]=4 38 B8R0.23 CC(=O)CC(C(=O)O)N CHEBI:15914 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.23 CC(=O)CC(C(=O)[O-])[NH3+] CHEBI:57563 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.23 CC(CC(=O)O)C(=O)O CHEBI:91315 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.23 C[C@@H](C(=O)O)NC(=O)C CHEBI:40992 [1,0,0,0,0,0|0,0,0]=1 42 B8R0.23 C[C@@H](C(=O)[O-])NC(=O)C CHEBI:133520 [1,0,0,0,0,0|0,0,1]=2 43 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CHEBI:91316 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.23 C[C@H](CC(=O)O)C(=O)O CHEBI:91317 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.23 C\C(=C/C(=O)O)\C(=O)O CHEBI:16600 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CHEBI:17626 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.23 [*][C@@H](C(=O)O)NC(=O)N CHEBI:51353 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.23 [*][C@@H](C(=O)[O-])NC(=O)[*] CHEBI:59874 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.23 [*][C@H](C(=O)O)NC(=O)[*] CHEBI:15778 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.23 [*][C@H](C(=O)[O-])NC(=O)[*] CHEBI:59876 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.23 [C@@H](C(=O)O)(NC(=O)N)O CHEBI:28785 [1,0,0,0,0,0|1,1,0]=3 52 B8R0.23 [C@H](C(=O)O)(N)NC(=O)N CHEBI:59945 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.23 [C@H](C(=O)O)(NC(=O)N)O CHEBI:15412 [1,0,0,0,0,0|1,1,0]=3 54 B8R0.23 [C@H](C(=O)[O-])(NC(=O)N)O CHEBI:57296 [1,0,0,0,0,0|1,1,1]=4 55 B8R0.23 [C@H](C(=O)[O-])([NH3+])NC(=O)N CHEBI:59947 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.23 CC(=O)N[C@@H](CCN)C(=O)O CHEBI:77583 [0,1,0,0,0,0|1,0,0]=2 57 B10R0.23 CC(=O)N[C@@H](CC[NH3+])C(=O)[O-] CHEBI:77587 [0,1,0,0,0,0|1,0,1]=3 58 B10R0.23 CCNC(CC(=O)N)C(=O)O CHEBI:64308 [0,1,0,0,0,0|3,0,0]=4 59 B10R0.23 CCN[C@@H](CC(=O)N)C(=O)O CHEBI:64367 [0,1,0,0,0,0|3,0,0]=4 60 B10R0.23 [*]SC[C@@H](C(=O)O)NC(=O)C CHEBI:47911 [0,1,0,0,0,0|0,0,0]=1 61 B10R0.53 C([C@@H](C(=O)O)NC(=O)CN)O CHEBI:73516 [0,1,0,0,0,0|0,1,0]=2 62 B10R0.53 C([C@@H](C(=O)O)NC(=O)CN)S CHEBI:73890 [0,1,0,0,0,0|0,0,0]=1 63 B10R0.53 C([C@H](C(=O)O)NC(=O)CN)O CHEBI:73895 [0,1,0,0,0,0|0,1,0]=2 64 B10R0.76 CCC(C(C(=O)O)O)C(=O)O CHEBI:15591 [0,1,0,0,0,0|3,0,0]=4 65 B10R0.119 CC[C@@](CC(=O)O)(C(=O)O)O CHEBI:15583 [0,1,0,0,0,0|3,0,0]=4 66 B10R0.162 CC(C)C(C(=O)O)NC(=O)N CHEBI:49053 [0,1,0,0,0,0|2,0,0]=3 67 B10R0.162 CC(C)[C@@H](C(=O)O)NC(=O)C CHEBI:21565 [0,1,0,0,0,0|1,0,0]=2 68 B10R0.162 CC(C)[C@@H](C(=O)O)NC(=O)N CHEBI:49054 [0,1,0,0,0,0|2,0,0]=3 69 B10R0.162 CC(C)[C@@H](C(=O)[O-])NC(=O)C CHEBI:133716 [0,1,0,0,0,0|1,0,1]=3 70 B10R0.162 CC(C)[C@H](C(=O)O)NC(=O)N CHEBI:41469 [0,1,0,0,0,0|2,0,0]=3 71 B10R0.162 C[C@H]([C@@H](C(=O)O)NC(=O)C)O CHEBI:45826 [0,1,0,0,0,0|0,1,0]=2 72 B10R0.162 C[C@H]([C@@H](C(=O)[O-])NC(=O)C)O CHEBI:133549 [0,1,0,0,0,0|0,1,1]=3 73 B10R1.59 C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N CHEBI:46486 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.113 C1CC(NC(=O)C1)C(=O)O CHEBI:87998 [0,0,0,1,0,0|1,0,0]=2 75 B10R1.113 C1CC(NC(=O)C1)C(=O)[O-] CHEBI:133178 [0,0,0,1,0,0|1,0,1]=3 76 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O CHEBI:27592 [0,0,0,1,0,0|2,0,1]=4 77 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C CHEBI:39764 [0,0,0,1,0,0|1,0,1]=3 78 B8R0.18 CCC(C(=O)C)C(=O)O CHEBI:131199 [0,0,0,0,1,0|1,0,0]=2 79 B8R0.18 CCC(C(=O)O)C(=O)O CHEBI:741548 [0,0,0,0,1,0|2,0,0]=3 80 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] CHEBI:132939 [0,0,0,0,1,0|2,0,1]=4 81 B8R0.18 CCC(C(C)O)C(=O)O CHEBI:131354 [0,0,0,0,1,0|1,0,2]=4 82 B10R0.84 C(CC(=O)O)C(CO)C(=O)O CHEBI:49077 [0,0,0,0,0,1|2,1,0]=4 83 B10R0.84 C(CC(=O)O)[C@@H](CO)C(=O)O CHEBI:49076 [0,0,0,0,0,1|2,1,0]=4 84 B10R0.84 C(CC(=O)O)[C@H](CO)C(=O)O CHEBI:49078 [0,0,0,0,0,1|2,1,0]=4 85 B7R0.5 C(C=O)[C@@H](C(=O)O)N CHEBI:18051 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.15 C(C(CS)C(=O)O)S CHEBI:17919 [2,0,0,0,0,0|0,1,1]=4 87 B7R0.15 CCC(CO)C(=O)O CHEBI:82956 [2,0,0,0,0,0|0,1,1]=4 88 B7R0.2 CC(C=O)OC(=O)C CHEBI:87544 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.6 C(C(=O)O)NC(=N)N CHEBI:16344 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.6 C(C(=O)O)NC(=O)N CHEBI:133351 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.6 C(C(=O)O)NC(=O)O CHEBI:87757 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.6 C(CC(=O)O)C(=O)N CHEBI:50398 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.6 C(CC(=O)O)C(=O)O CHEBI:15741 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.6 C(CC(=O)[O-])C(=O)O CHEBI:30779 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.6 CC(=O)CCC(=O)C CHEBI:85014 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.6 CC(=O)CCC(=O)O CHEBI:45630 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.6 CC(=O)CCC(=O)[O-] CHEBI:39150 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.6 CC(=O)NCC(=O)O CHEBI:40410 [2,0,0,0,0,0|0,0,0]=2 99 B7R0.6 CC(=O)NCC(=O)[O-] CHEBI:61887 [2,0,0,0,0,0|0,0,1]=3 100 B7R0.6 CC(=O)\C=C/C(=O)O CHEBI:28993 [2,0,0,0,0,0|1,0,1]=4 101 B9R0.11 CC(C)(CC(=O)O)C(=O)O CHEBI:86537 [1,1,0,0,0,0|2,0,0]=4 102 B9R0.11 CC(CC(=O)O)(C(=O)O)O CHEBI:15584 [1,1,0,0,0,0|2,0,0]=4 103 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)O CHEBI:15586 [1,1,0,0,0,0|2,0,0]=4 104 B9R0.11 C[C@](CC(=O)O)(C(=O)O)O CHEBI:29003 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.42 CC(C(=O)O)OC(=O)CO CHEBI:53493 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.42 CC(C=O)OC(C)C(=O)O CHEBI:87268 [1,1,0,0,0,0|1,0,1]=4 107 B9R0.42 CNC(=O)C[C@@H](C(=O)O)N CHEBI:44079 [1,1,0,0,0,0|2,0,0]=4 108 B9R0.42 COC(=O)C[C@H](C(=O)O)N CHEBI:87437 [1,1,0,0,0,0|2,0,0]=4 109 B9R0.42 C[C@@H](C(=O)O)NC(=O)CN CHEBI:73855 [1,1,0,0,0,0|0,0,0]=2 110 B9R0.42 C[C@H](C(=O)O)NC(=O)CN CHEBI:73891 [1,1,0,0,0,0|0,0,0]=2 111 B9R0.79 CC(C(=C)C(=O)O)C(=O)O CHEBI:16093 [1,1,0,0,0,0|2,0,0]=4 112 B9R0.79 CC(C(=O)C(=O)O)C(=O)O CHEBI:50793 [1,1,0,0,0,0|2,0,0]=4 113 B9R0.79 CC(C(C(=O)O)O)C(=O)O CHEBI:25312 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.79 C[C@@H](C(=O)C(=O)O)C(=O)O CHEBI:6885 [1,1,0,0,0,0|2,0,0]=4 115 B9R0.79 C[C@@H]([C@@H](C(=O)O)N)C(=O)O CHEBI:47980 [1,1,0,0,0,0|2,0,0]=4 116 B9R0.79 C[C@@H]([C@@H](C(=O)O)O)C(=O)O CHEBI:28456 [1,1,0,0,0,0|2,0,0]=4 117 B9R0.79 C[C@@H]([C@H](C(=O)O)O)C(=O)O CHEBI:27394 [1,1,0,0,0,0|2,0,0]=4 118 B9R0.79 C[C@H](C(=O)C(=O)O)C(=O)O CHEBI:50794 [1,1,0,0,0,0|2,0,0]=4 119 B9R0.79 C[C@H]([C@@H](C(=O)O)O)C(=O)O CHEBI:50787 [1,1,0,0,0,0|2,0,0]=4 120 B9R0.79 C[C@H]([C@H](C(=O)O)O)C(=O)O CHEBI:27736 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.79 [C@@H]([C@@H](C(=O)O)S)(C(=O)O)S CHEBI:63623 [1,1,0,0,0,0|2,0,0]=4 122 B9R0.79 [C@H](C(C(=O)O)S)(C(=O)O)N CHEBI:74653 [1,1,0,0,0,0|2,0,0]=4 123 B9R0.76 CC[C@](C(=O)C)(C(=O)O)O CHEBI:27681 [0,1,0,0,1,0|1,0,0]=3 124 B9R0.76 CC[C@](C(=O)C)(C(=O)[O-])O CHEBI:49256 [0,1,0,0,1,0|1,0,1]=4 125 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O CHEBI:21547 [0,1,0,0,0,1|0,1,1]=4 126 B11R0.115 CC(C)C(C(=O)OC)NC(=O)C CHEBI:74911 [0,2,0,0,0,0|1,0,0]=3 127 B11R0.115 CCC(C)C(C(=O)O)NC(=O)C CHEBI:84056 [0,2,0,0,0,0|1,0,0]=3 128 B11R0.115 CC[C@H](C)[C@@H](C(=O)O)NC(=O)C CHEBI:21555 [0,2,0,0,0,0|1,0,0]=3 129 B11R0.115 CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C CHEBI:133735 [0,2,0,0,0,0|1,0,1]=4 130 B11R0.160 CC(=O)NC(CCSC)C(=O)[O-] CHEBI:132957 [0,2,0,0,0,0|0,0,1]=3 131 B11R0.160 CC(=O)N[C@@H](CCC=O)C(=O)O CHEBI:16319 [0,2,0,0,0,0|0,1,0]=3 132 B11R0.160 CC(=O)N[C@@H](CCC=O)C(=O)[O-] CHEBI:29123 [0,2,0,0,0,0|0,1,1]=4 133 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O CHEBI:16543 [0,2,0,0,0,0|1,0,0]=3 134 B11R0.160 CC(=O)N[C@@H](CCC[NH3+])C(=O)[O-] CHEBI:57805 [0,2,0,0,0,0|1,0,1]=4 135 B11R0.160 CC(=O)N[C@@H](CCSC)C(=O)O CHEBI:21557 [0,2,0,0,0,0|0,0,0]=2 136 B11R0.160 CC(=O)N[C@@H](CCSC)C(=O)[O-] CHEBI:71670 [0,2,0,0,0,0|0,0,1]=3 137 B11R0.160 CC(=O)N[C@H](CCSC)C(=O)O CHEBI:85210 [0,2,0,0,0,0|0,0,0]=2 138 B11R0.160 CC(=O)N[C@H](CCSC)C(=O)[O-] CHEBI:85220 [0,2,0,0,0,0|0,0,1]=3 139 B11R0.160 CSCC[C@@H](C(=O)O)NC(=O)O CHEBI:41696 [0,2,0,0,0,0|1,0,0]=3 140 B11R0.160 CSCC[C@@H](C(=O)[O-])NC(=O)[O-] CHEBI:61923 [0,2,0,0,0,0|1,0,1]=4 141 B11R0.108 CC(C)[C@@H](C(=O)O)NC(=O)CN CHEBI:73922 [0,2,0,0,0,0|1,0,0]=3 142 B11R0.108 CC(C)[C@H](C(=O)O)NC(=O)CN CHEBI:73897 [0,2,0,0,0,0|1,0,0]=3 143 B11R0.108 C[C@@H]([C@H](C(=O)O)NC(=O)CN)O CHEBI:73896 [0,2,0,0,0,0|0,1,0]=3 144 B11R0.108 C[C@H]([C@@H](C(=O)O)NC(=O)CN)O CHEBI:73920 [0,2,0,0,0,0|0,1,0]=3 145 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)S CHEBI:61198 [0,2,0,0,0,0|0,0,0]=2 146 B9R1.6 C1CC=NC(C1)C(=O)O CHEBI:49015 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.6 C1CC=N[C@@H](C1)C(=O)O CHEBI:49014 [1,0,0,1,0,0|1,0,1]=4 148 B9R1.6 C1CCNC(C1)C(=O)O CHEBI:17964 [1,0,0,1,0,0|1,0,1]=4 149 B9R1.6 C1CCN[C@@H](C1)C(=O)O CHEBI:30913 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.6 C1CCN[C@H](C1)C(=O)O CHEBI:41582 [1,0,0,1,0,0|1,0,1]=4 151 B9R1.6 C1CN[C@@H](CN1)C(=O)O CHEBI:55392 [1,0,0,1,0,0|1,0,1]=4 152 B9R1.6 C1CN[C@H](CN1)C(=O)O CHEBI:55357 [1,0,0,1,0,0|1,0,1]=4 153 B9R1.6 C1CSCC(N1)C(=O)O CHEBI:17195 [1,0,0,1,0,0|0,0,1]=3 154 B9R1.6 C1CSCC(N1)C(=O)[O-] CHEBI:15237 [1,0,0,1,0,0|0,0,2]=4 155 B9R1.6 C1CSC[C@@H](N1)C(=O)O CHEBI:36395 [1,0,0,1,0,0|0,0,1]=3 156 B9R1.6 C1CSC[C@H](N1)C(=O)O CHEBI:36394 [1,0,0,1,0,0|0,0,1]=3 157 B9R1.35 C1C(N=C(S1)N)C(=O)O CHEBI:64777 [1,0,0,1,0,0|1,0,1]=4 158 B9R1.35 C1CC(=O)CC1C(=O)O CHEBI:71213 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.35 C1CC(=O)NC1C(=O)O CHEBI:16010 [1,0,0,1,0,0|1,0,0]=3 160 B9R1.35 C1CC(=O)NC1C(=O)[O-] CHEBI:57606 [1,0,0,1,0,0|1,0,1]=4 161 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O CHEBI:18183 [1,0,0,1,0,0|1,0,0]=3 162 B9R1.35 C1CC(=O)N[C@@H]1C(=O)[O-] CHEBI:58402 [1,0,0,1,0,0|1,0,1]=4 163 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CHEBI:16924 [1,0,0,1,0,0|1,0,0]=3 164 B9R1.35 C1CC(=O)N[C@H]1C(=O)[O-] CHEBI:57948 [1,0,0,1,0,0|1,0,1]=4 165 B9R1.35 C1CC(=O)OC1C(=O)O CHEBI:74524 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O CHEBI:73677 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.35 C1[C@@H](N=C(S1)N)C(=O)O CHEBI:64774 [1,0,0,1,0,0|1,0,1]=4 168 B9R1.35 C1[C@H](N=C(S1)N)C(=O)O CHEBI:64773 [1,0,0,1,0,0|1,0,1]=4 169 B9R1.41 C1CNC(C1O)C(=O)O CHEBI:64368 [1,0,0,1,0,0|0,1,1]=4 170 B9R1.41 C1CN[C@@H](C1O)C(=O)O CHEBI:20056 [1,0,0,1,0,0|0,1,1]=4 171 B9R1.41 C1CN[C@@H]([C@@H]1O)C(=O)O CHEBI:55479 [1,0,0,1,0,0|0,1,1]=4 172 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O CHEBI:16889 [1,0,0,1,0,0|0,1,1]=4 173 B9R1.41 C1CN[C@H]([C@@H]1O)C(=O)O CHEBI:70756 [1,0,0,1,0,0|0,1,1]=4 174 B9R1.41 C1CN[C@H]([C@H]1O)C(=O)O CHEBI:88157 [1,0,0,1,0,0|0,1,1]=4 175 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CHEBI:41149 [1,0,0,1,0,0|1,0,1]=4 176 B11R1.157 C1C[C@@H](CC(=O)C1)CC(=O)O CHEBI:87405 [0,0,0,1,0,1|2,0,0]=4 177 B11R1.74 C1C(NC(=O)NC1=O)C(=O)O CHEBI:30865 [0,1,0,1,0,0|1,1,0]=4 178 B11R1.74 C1[C@@H](NC(=O)NC1=O)C(=O)O CHEBI:30866 [0,1,0,1,0,0|1,1,0]=4 179 B11R1.74 C1[C@H](NC(=O)NC1=O)C(=O)O CHEBI:17025 [0,1,0,1,0,0|1,1,0]=4 180 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CHEBI:44272 [0,1,0,1,0,0|1,0,0]=3 181 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CHEBI:21560 [0,1,0,1,0,0|1,0,0]=3 182 B11R1.21 C1C[C@@H](C(=O)C[C@H]1C(=O)O)O CHEBI:15567 [0,1,0,1,0,0|2,0,0]=4 183 B7R0.16 C(C(=O)O)(C(=O)O)N CHEBI:17475 [1,0,0,0,1,0|2,0,0]=4 184 B7R0.16 C(C(=O)O)(C(=O)O)O CHEBI:16513 [1,0,0,0,1,0|1,1,0]=4 185 B7R0.16 C(C(=O)O)(C(=O)[O-])O CHEBI:30844 [1,0,0,0,1,0|1,1,0]=4 186 B7R0.16 CC(=O)C(C(=O)O)N CHEBI:17844 [1,0,0,0,1,0|1,0,0]=3 187 B7R0.16 CC(=O)[C@@H](C(=O)O)N CHEBI:40673 [1,0,0,0,1,0|1,0,0]=3 188 B7R0.16 CC(=O)[C@@H](C(=O)[O-])N CHEBI:16944 [1,0,0,0,1,0|1,0,1]=4 189 B7R0.16 CC(=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:78948 [1,0,0,0,1,0|1,0,1]=4 190 B7R0.16 CC(C(=O)C)C(=O)O CHEBI:37079 [1,0,0,0,1,0|0,0,0]=2 191 B7R0.16 CC(C(=O)C)C(=O)[O-] CHEBI:19680 [1,0,0,0,1,0|0,0,1]=3 192 B7R0.16 CC(C(=O)O)C(=O)O CHEBI:30860 [1,0,0,0,1,0|1,0,0]=3 193 B7R0.16 CC(C(=O)O)C(=O)[O-] CHEBI:30861 [1,0,0,0,1,0|1,0,0]=3 194 B7R0.16 CC(C(=O)[O-])C(=O)[O-] CHEBI:17453 [1,0,0,0,1,0|1,0,1]=4 195 B7R0.16 CC(C(C)O)C(=O)O CHEBI:37051 [1,0,0,0,1,0|0,0,2]=4 196 B7R0.16 CC(C)C(C)C(=O)O CHEBI:38650 [1,0,0,0,1,0|1,0,1]=4 197 B7R0.16 C[C@@H](C(=O)O)N(C)C CHEBI:77042 [1,0,0,0,1,0|2,0,0]=4 198 B7R0.16 C[C@@H](C(C)C)C(=O)O CHEBI:38652 [1,0,0,0,1,0|1,0,1]=4 199 B7R0.16 C[C@@H]([C@H](C)O)C(=O)O CHEBI:37052 [1,0,0,0,1,0|0,0,2]=4 200 B7R0.16 C[C@H](C(C)C)C(=O)O CHEBI:38651 [1,0,0,0,1,0|1,0,1]=4 201 B9R0.7 CC(=O)CCC(C(=O)O)N CHEBI:19450 [1,0,0,0,0,1|2,0,0]=4 202 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N CHEBI:17981 [1,0,0,0,0,1|2,0,0]=4 203 B9R0.7 CC(CCC(=O)O)C(=O)O CHEBI:68567 [1,0,0,0,0,1|2,0,0]=4 204 B9R0.7 CC(CNC(=O)N)C(=O)O CHEBI:1670 [1,0,0,0,0,1|1,0,0]=3 205 B9R0.7 CC(CNC(=O)N)C(=O)[O-] CHEBI:74414 [1,0,0,0,0,1|1,0,1]=4 206 B9R0.7 C[C@H](C(=O)O)NCC(=O)O CHEBI:16439 [1,0,0,0,0,1|1,0,0]=3 207 B9R0.53 CC(=O)CC(CC(=O)O)O CHEBI:37032 [1,0,0,0,0,1|1,1,0]=4 208 B9R0.53 CC(CC(=O)O)CC(=O)O CHEBI:68566 [1,0,0,0,0,1|2,0,0]=4