0 B4R0.1 C#CC(=O)O CHEBI:33199 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C(=N)(N)NO CHEBI:43089 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C(=N)C(=O)O CHEBI:53647 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C(=O)(N)NO CHEBI:44423 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C(=O)(NN)O CHEBI:38662 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C(=O)C(=O)O CHEBI:16891 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 C(C(=O)N)F CHEBI:53124 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 C(C(=O)N)N CHEBI:42843 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 C(C(=O)N)O CHEBI:30321 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 C(C(=O)O)F CHEBI:30775 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C(C(=O)O)I CHEBI:74571 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C(C(=O)O)N CHEBI:15428 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C(C(=O)O)O CHEBI:17497 [0,0,0,0,0,0|1,0,1]=2 14 B4R0.1 C(C(=O)O)S CHEBI:30065 [0,0,0,0,0,0|1,1,1]=3 15 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C(C(=O)S)N CHEBI:46799 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 C(C(=O)[O-])Cl CHEBI:23123 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 C(C(=O)[O-])F CHEBI:18172 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 C(C(=O)[O-])F CHEBI:38699 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 C(C(=O)[O-])N CHEBI:32508 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [0,0,0,0,0,0|1,1,2]=4 24 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [0,0,0,0,0,0|1,1,2]=4 25 B4R0.1 C(C(=O)[O-])[NH3+] CHEBI:57305 [0,0,0,0,0,0|2,0,2]=4 26 B4R0.1 C(C(=O)[O-])[S-] CHEBI:47869 [0,0,0,0,0,0|1,1,2]=4 27 B4R0.1 C(C(Cl)Cl)Cl CHEBI:36018 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 C=C(CO)Br CHEBI:49514 [0,0,0,0,0,0|1,0,2]=3 29 B4R0.1 C=CC(=O)O CHEBI:18308 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 CC(=C)C=C CHEBI:35194 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.1 CC(=NO)C CHEBI:15349 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.1 CC(=O)C#C CHEBI:48060 [0,0,0,0,0,0|1,0,3]=4 33 B4R0.1 CC(=O)C=C CHEBI:48058 [0,0,0,0,0,0|1,0,3]=4 34 B4R0.1 CC(=O)C=O CHEBI:17158 [0,0,0,0,0,0|0,0,4]=4 35 B4R0.1 CC(=O)CBr CHEBI:51845 [0,0,0,0,0,0|1,0,2]=3 36 B4R0.1 CC(=O)CCl CHEBI:47220 [0,0,0,0,0,0|1,0,2]=3 37 B4R0.1 CC(=O)CN CHEBI:17906 [0,0,0,0,0,0|1,0,2]=3 38 B4R0.1 CC(=O)CO CHEBI:27957 [0,0,0,0,0,0|0,0,2]=2 39 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [0,0,0,0,0,0|1,0,2]=3 40 B4R0.1 CC(=O)NC CHEBI:87321 [0,0,0,0,0,0|2,0,2]=4 41 B4R0.1 CC(=O)NN CHEBI:2422 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.1 CC(=O)NO CHEBI:27777 [0,0,0,0,0,0|1,0,2]=3 43 B4R0.1 CC(=O)OC CHEBI:77700 [0,0,0,0,0,0|2,0,2]=4 44 B4R0.1 CC(=O)O[Hg+] CHEBI:49727 [0,0,0,0,0,0|2,0,2]=4 45 B4R0.1 CC(=O)SC CHEBI:51280 [0,0,0,0,0,0|2,0,2]=4 46 B4R0.1 CC(=S)OC CHEBI:51281 [0,0,0,0,0,0|2,1,1]=4 47 B4R0.1 CC(C#N)N CHEBI:27959 [0,0,0,0,0,0|2,0,1]=3 48 B4R0.1 CC(C)C#C CHEBI:87379 [0,0,0,0,0,0|2,0,1]=3 49 B4R0.1 CC(C)C=C CHEBI:77914 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 CC(C)C=O CHEBI:48943 [0,0,0,0,0,0|1,0,2]=3 51 B4R0.1 CC(C)CN CHEBI:15997 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.1 CC(C)CO CHEBI:46645 [0,0,0,0,0,0|1,0,0]=1 53 B4R0.1 CC(C)C[NH3+] CHEBI:57601 [0,0,0,0,0,0|2,0,0]=2 54 B4R0.1 CC(C)OC CHEBI:53505 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.1 CC(C=O)O CHEBI:18419 [0,0,0,0,0,0|0,0,2]=2 56 B4R0.1 CC(CCl)O CHEBI:76260 [0,0,0,0,0,0|1,0,0]=1 57 B4R0.1 CC(CN)N CHEBI:30630 [0,0,0,0,0,0|2,0,0]=2 58 B4R0.1 CC(CN)O CHEBI:19030 [0,0,0,0,0,0|1,0,0]=1 59 B4R0.1 CC(CO)O CHEBI:16997 [0,0,0,0,0,0|0,0,0]=0 60 B4R0.1 CC=C(C)C CHEBI:77916 [0,0,0,0,0,0|2,0,2]=4 61 B4R0.1 CCC(=C)C CHEBI:77915 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.1 CCC(=O)C CHEBI:28398 [0,0,0,0,0,0|1,0,2]=3 63 B4R0.1 CCC(=O)N CHEBI:45422 [0,0,0,0,0,0|2,0,2]=4 64 B4R0.1 CCC(=O)O CHEBI:30768 [0,0,0,0,0,0|2,0,1]=3 65 B4R0.1 CCC(=O)[O-] CHEBI:132106 [0,0,0,0,0,0|2,0,2]=4 66 B4R0.1 CCC(=O)[O-] CHEBI:17272 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.1 CCC(=O)[O-] CHEBI:63884 [0,0,0,0,0,0|2,0,2]=4 68 B4R0.1 CCC(=S)C CHEBI:36581 [0,0,0,0,0,0|1,1,1]=3 69 B4R0.1 CCC(C)C CHEBI:30362 [0,0,0,0,0,0|2,0,0]=2 70 B4R0.1 CCC(C)N CHEBI:74526 [0,0,0,0,0,0|2,0,0]=2 71 B4R0.1 CCC(C)O CHEBI:35687 [0,0,0,0,0,0|1,0,0]=1 72 B4R0.1 CC[C@@H](C)O CHEBI:35686 [0,0,0,0,0,0|1,0,0]=1 73 B4R0.1 CC[C@H](C)O CHEBI:45475 [0,0,0,0,0,0|1,0,0]=1 74 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 CN(C)C=O CHEBI:17741 [0,0,0,0,0,0|2,0,2]=4 76 B4R0.1 CN(C)N=O CHEBI:35807 [0,0,0,0,0,0|3,0,1]=4 77 B4R0.1 CNC(=O)O CHEBI:45379 [0,0,0,0,0,0|3,0,1]=4 78 B4R0.1 C[C@@H](C#N)N CHEBI:50617 [0,0,0,0,0,0|2,0,1]=3 79 B4R0.1 C[C@@H](C=O)O CHEBI:18041 [0,0,0,0,0,0|0,0,2]=2 80 B4R0.1 C[C@@H](CO)N CHEBI:78502 [0,0,0,0,0,0|1,0,0]=1 81 B4R0.1 C[C@@H](CO)O CHEBI:29002 [0,0,0,0,0,0|0,0,0]=0 82 B4R0.1 C[C@@H](CO)[NH3+] CHEBI:85422 [0,0,0,0,0,0|1,0,0]=1 83 B4R0.1 C[C@H](C#N)N CHEBI:50618 [0,0,0,0,0,0|2,0,1]=3 84 B4R0.1 C[C@H](C=O)O CHEBI:17167 [0,0,0,0,0,0|0,0,2]=2 85 B4R0.1 C[C@H](CN)O CHEBI:15675 [0,0,0,0,0,0|1,0,0]=1 86 B4R0.1 C[C@H](CO)O CHEBI:28972 [0,0,0,0,0,0|0,0,0]=0 87 B4R0.1 C[C@H](C[NH3+])O CHEBI:42677 [0,0,0,0,0,0|1,0,0]=1 88 B4R0.1 C\C(=N/O)\O CHEBI:49029 [0,0,0,0,0,0|1,0,1]=2 89 B4R0.1 C\C(=N\N)\O CHEBI:48978 [0,0,0,0,0,0|2,0,1]=3 90 B4R0.1 C\C=[N+](\O)/[O-] CHEBI:77894 [0,0,0,0,0,0|3,0,1]=4 91 B4R0.1 N(=O)(=O)OO CHEBI:29271 [0,0,0,0,0,0|3,0,1]=4 92 B4R0.1 [*](C(=O)[O-])O CHEBI:131871 [0,0,0,0,0,0|2,0,2]=4 93 B4R0.1 [*]C(=O)CO CHEBI:52501 [0,0,0,0,0,0|1,0,2]=3 94 B4R0.1 [*]SC(=O)C CHEBI:17093 [0,0,0,0,0,0|2,0,2]=4 95 B4R0.1 [*][C@H](CO)O CHEBI:27636 [0,0,0,0,0,0|1,0,0]=1 96 B4R0.1 [*]\C(=N\O)\[*] CHEBI:24983 [0,0,0,0,0,0|3,0,1]=4 97 B4R0.1 [*]\C(=N\O)\[*] CHEBI:25750 [0,0,0,0,0,0|3,0,1]=4 98 B4R0.1 [CH](C(=O)O)N CHEBI:32721 [0,0,0,0,0,0|2,0,2]=4 99 B3R0.1 B(BO)O CHEBI:38274 [1,0,0,0,0,0|2,0,0]=3 100 B3R0.1 C#CCO CHEBI:28905 [1,0,0,0,0,0|0,0,2]=3 101 B3R0.1 C(=C/O)/O CHEBI:131198 [1,0,0,0,0,0|0,0,2]=3 102 B3R0.1 C(C=O)Cl CHEBI:27871 [1,0,0,0,0,0|1,0,2]=4 103 B3R0.1 C(C=O)F CHEBI:14272 [1,0,0,0,0,0|1,0,2]=4 104 B3R0.1 C(C=O)N CHEBI:17628 [1,0,0,0,0,0|1,0,2]=4 105 B3R0.1 C(C=O)O CHEBI:17071 [1,0,0,0,0,0|0,0,2]=3 106 B3R0.1 C(C=O)[NH3+] CHEBI:58213 [1,0,0,0,0,0|1,0,2]=4 107 B3R0.1 C(CBr)Br CHEBI:28534 [1,0,0,0,0,0|2,0,0]=3 108 B3R0.1 C(CBr)Cl CHEBI:19032 [1,0,0,0,0,0|2,0,0]=3 109 B3R0.1 C(CCl)Cl CHEBI:27789 [1,0,0,0,0,0|2,0,0]=3 110 B3R0.1 C(CCl)O CHEBI:28200 [1,0,0,0,0,0|1,0,0]=2 111 B3R0.1 C(CN)N CHEBI:30346 [1,0,0,0,0,0|2,0,0]=3 112 B3R0.1 C(CN)N CHEBI:30347 [1,0,0,0,0,0|2,0,0]=3 113 B3R0.1 C(CN)N CHEBI:53626 [1,0,0,0,0,0|2,0,0]=3 114 B3R0.1 C(CO)N CHEBI:16000 [1,0,0,0,0,0|1,0,0]=2 115 B3R0.1 C(CO)O CHEBI:30742 [1,0,0,0,0,0|0,0,0]=1 116 B3R0.1 C(CO)[NH3+] CHEBI:57603 [1,0,0,0,0,0|1,0,0]=2 117 B3R0.1 C(CO)[NH3+] CHEBI:63878 [1,0,0,0,0,0|1,0,0]=2 118 B3R0.1 C(CS)N CHEBI:17141 [1,0,0,0,0,0|1,1,0]=3 119 B3R0.1 C(CS)O CHEBI:41218 [1,0,0,0,0,0|0,1,0]=2 120 B3R0.1 C(CS)[NH3+] CHEBI:58029 [1,0,0,0,0,0|1,1,0]=3 121 B3R0.1 C=CCO CHEBI:16605 [1,0,0,0,0,0|0,0,2]=3 122 B3R0.1 CC#N=S CHEBI:47842 [1,0,0,0,0,0|1,1,1]=4 123 B3R0.1 CC#[N+][O-] CHEBI:47841 [1,0,0,0,0,0|1,0,2]=4 124 B3R0.1 CC=C=C CHEBI:39480 [1,0,0,0,0,0|1,0,2]=4 125 B3R0.1 CC=[N+]=[N-] CHEBI:87492 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.1 CCC#C CHEBI:48087 [1,0,0,0,0,0|1,0,1]=3 127 B3R0.1 CCC#N CHEBI:26307 [1,0,0,0,0,0|1,0,1]=3 128 B3R0.1 CCC=C CHEBI:48362 [1,0,0,0,0,0|1,0,1]=3 129 B3R0.1 CCC=O CHEBI:17153 [1,0,0,0,0,0|0,0,2]=3 130 B3R0.1 CCCBr CHEBI:47105 [1,0,0,0,0,0|1,0,0]=2 131 B3R0.1 CCCC CHEBI:37808 [1,0,0,0,0,0|1,0,0]=2 132 B3R0.1 CCCN CHEBI:39870 [1,0,0,0,0,0|1,0,0]=2 133 B3R0.1 CCCO CHEBI:28831 [1,0,0,0,0,0|0,0,0]=1 134 B3R0.1 CCCP CHEBI:35891 [1,0,0,0,0,0|1,0,0]=2 135 B3R0.1 CCCS CHEBI:8473 [1,0,0,0,0,0|0,1,0]=2 136 B3R0.1 CCC[NH3+] CHEBI:566825 [1,0,0,0,0,0|1,0,0]=2 137 B3R0.1 CCN=O CHEBI:50722 [1,0,0,0,0,0|1,0,1]=3 138 B3R0.1 CCOC CHEBI:39832 [1,0,0,0,0,0|2,0,0]=3 139 B3R0.1 CC[Mg]Cl CHEBI:51239 [1,0,0,0,0,0|2,0,0]=3 140 B3R0.1 CN=C=O CHEBI:59059 [1,0,0,0,0,0|1,0,2]=4 141 B3R0.1 CN=C=S CHEBI:78337 [1,0,0,0,0,0|1,1,1]=4 142 B3R0.1 CNC=O CHEBI:7438 [1,0,0,0,0,0|1,0,2]=4 143 B3R0.1 CNNC CHEBI:73755 [1,0,0,0,0,0|3,0,0]=4 144 B3R0.1 CNNC CHEBI:73759 [1,0,0,0,0,0|3,0,0]=4 145 B3R0.1 COC#N CHEBI:38907 [1,0,0,0,0,0|2,0,1]=4 146 B3R0.1 COC=O CHEBI:77699 [1,0,0,0,0,0|1,0,2]=4 147 B3R0.1 COCO CHEBI:46791 [1,0,0,0,0,0|1,0,0]=2 148 B3R0.1 COOC CHEBI:35928 [1,0,0,0,0,0|3,0,0]=4 149 B3R0.1 CSC#N CHEBI:61112 [1,0,0,0,0,0|2,0,1]=4 150 B3R0.1 CSSC CHEBI:4608 [1,0,0,0,0,0|3,0,0]=4 151 B3R0.1 C[NH2+][NH2+]C CHEBI:73760 [1,0,0,0,0,0|3,0,0]=4 152 B3R0.1 C[Te][Te]C CHEBI:68648 [1,0,0,0,0,0|3,0,0]=4 153 B3R0.1 C\C=C/C CHEBI:48366 [1,0,0,0,0,0|1,0,2]=4 154 B3R0.1 C\C=C\C CHEBI:48363 [1,0,0,0,0,0|1,0,2]=4 155 B3R0.1 C\C=C\C CHEBI:48365 [1,0,0,0,0,0|1,0,2]=4 156 B3R0.1 C\C=C\S CHEBI:59723 [1,0,0,0,0,0|0,1,2]=4 157 B3R0.1 C\C=N/N CHEBI:38538 [1,0,0,0,0,0|2,0,1]=4 158 B3R0.1 C\C=N/O CHEBI:50719 [1,0,0,0,0,0|1,0,1]=3 159 B3R0.1 C\C=N\N CHEBI:38535 [1,0,0,0,0,0|2,0,1]=4 160 B3R0.1 C\C=N\N CHEBI:38536 [1,0,0,0,0,0|2,0,1]=4 161 B3R0.1 C\C=N\O CHEBI:28465 [1,0,0,0,0,0|1,0,1]=3 162 B3R0.1 C\C=N\O CHEBI:50718 [1,0,0,0,0,0|1,0,1]=3 163 B3R0.1 N(=NO)O CHEBI:14428 [1,0,0,0,0,0|2,0,0]=3 164 B3R0.1 N(=N[O-])O CHEBI:50115 [1,0,0,0,0,0|2,0,1]=4 165 B3R0.1 N(=O)OO CHEBI:25942 [1,0,0,0,0,0|2,0,1]=4 166 B3R0.1 OSSO CHEBI:35921 [1,0,0,0,0,0|2,0,0]=3 167 B3R0.1 OSS[O-] CHEBI:35922 [1,0,0,0,0,0|2,0,1]=4 168 B3R0.1 [*]C#CO CHEBI:33824 [1,0,0,0,0,0|1,0,2]=4 169 B3R0.1 [*]CN[*] CHEBI:50981 [1,0,0,0,0,0|3,0,0]=4 170 B3R0.1 [*]C[NH2+][*] CHEBI:58855 [1,0,0,0,0,0|3,0,0]=4 171 B3R0.1 [*]\C=N/O CHEBI:22307 [1,0,0,0,0,0|2,0,1]=4 172 B3R0.1 [C](=O)OO CHEBI:29790 [1,0,0,0,0,0|1,0,2]=4 173 B3R0.1 [Li]C#CC CHEBI:51473 [1,0,0,0,0,0|1,0,2]=4 174 B3R0.2 B(C)(C)O CHEBI:38276 [1,0,0,0,0,0|1,0,0]=2 175 B3R0.2 B(O)(O)O CHEBI:33118 [1,0,0,0,0,0|2,0,0]=3 176 B3R0.2 B(O)(O)[O-] CHEBI:29254 [1,0,0,0,0,0|2,0,0]=3 177 B3R0.2 B(O)([O-])[O-] CHEBI:29255 [1,0,0,0,0,0|2,0,1]=4 178 B3R0.2 C(=N)(N)O CHEBI:48376 [1,0,0,0,0,0|2,0,1]=4 179 B3R0.2 C(=O)(N)O CHEBI:28616 [1,0,0,0,0,0|1,0,2]=4 180 B3R0.2 C(=O)(O)O CHEBI:28976 [1,0,0,0,0,0|1,0,1]=3 181 B3R0.2 C(=O)(O)S CHEBI:36959 [1,0,0,0,0,0|1,0,2]=4 182 B3R0.2 C(=O)(O)[O-] CHEBI:17544 [1,0,0,0,0,0|1,0,2]=4 183 B3R0.2 C(=O)(O)[O-] CHEBI:32139 [1,0,0,0,0,0|1,0,2]=4 184 B3R0.2 C(=O)(O)[O-] CHEBI:81862 [1,0,0,0,0,0|1,0,2]=4 185 B3R0.2 C(=O)(O)[O] CHEBI:29789 [1,0,0,0,0,0|1,0,2]=4 186 B3R0.2 C(=S)(O)O CHEBI:36958 [1,0,0,0,0,0|1,0,1]=3 187 B3R0.2 C(=S)(O)S CHEBI:36965 [1,0,0,0,0,0|1,1,1]=4 188 B3R0.2 C(Br)(Br)Br CHEBI:38682 [1,0,0,0,0,0|3,0,0]=4 189 B3R0.2 C(Cl)(Cl)Br CHEBI:34591 [1,0,0,0,0,0|3,0,0]=4 190 B3R0.2 C(Cl)(Cl)Cl CHEBI:35255 [1,0,0,0,0,0|3,0,0]=4 191 B3R0.2 C(F)(F)F CHEBI:41550 [1,0,0,0,0,0|3,0,0]=4 192 B3R0.2 C(I)(I)I CHEBI:37758 [1,0,0,0,0,0|3,0,0]=4 193 B3R0.2 CC(=C)C CHEBI:43907 [1,0,0,0,0,0|1,0,1]=3 194 B3R0.2 CC(=N)N CHEBI:38478 [1,0,0,0,0,0|2,0,1]=4 195 B3R0.2 CC(=N)O CHEBI:49028 [1,0,0,0,0,0|1,0,1]=3 196 B3R0.2 CC(=O)C CHEBI:15347 [1,0,0,0,0,0|0,0,2]=3 197 B3R0.2 CC(=O)Cl CHEBI:37580 [1,0,0,0,0,0|1,0,2]=4 198 B3R0.2 CC(=O)N CHEBI:27856 [1,0,0,0,0,0|1,0,2]=4 199 B3R0.2 CC(=O)O CHEBI:132481 [1,0,0,0,0,0|0,0,2]=3 200 B3R0.2 CC(=O)O CHEBI:15366 [1,0,0,0,0,0|0,0,2]=3 201 B3R0.2 CC(=O)S CHEBI:16555 [1,0,0,0,0,0|0,1,2]=4 202 B3R0.2 CC(=O)[O-] CHEBI:30089 [1,0,0,0,0,0|0,0,3]=4 203 B3R0.2 CC(=O)[O-] CHEBI:32029 [1,0,0,0,0,0|0,0,3]=4 204 B3R0.2 CC(=O)[O-] CHEBI:32138 [1,0,0,0,0,0|0,0,3]=4 205 B3R0.2 CC(=O)[O-] CHEBI:32954 [1,0,0,0,0,0|0,0,3]=4 206 B3R0.2 CC(=O)[O-] CHEBI:3310 [1,0,0,0,0,0|0,0,3]=4 207 B3R0.2 CC(=O)[O-] CHEBI:59199 [1,0,0,0,0,0|0,0,3]=4 208 B3R0.2 CC(=O)[O-] CHEBI:62947 [1,0,0,0,0,0|0,0,3]=4 209 B3R0.2 CC(=O)[O-] CHEBI:62964 [1,0,0,0,0,0|0,0,3]=4 210 B3R0.2 CC(=O)[O-] CHEBI:62984 [1,0,0,0,0,0|0,0,3]=4 211 B3R0.2 CC(=O)[O-] CHEBI:63045 [1,0,0,0,0,0|0,0,3]=4 212 B3R0.2 CC(=O)[O-] CHEBI:63078 [1,0,0,0,0,0|0,0,3]=4 213 B3R0.2 CC(=O)[O-] CHEBI:63879 [1,0,0,0,0,0|0,0,3]=4 214 B3R0.2 CC(=O)[O-] CHEBI:75192 [1,0,0,0,0,0|0,0,3]=4 215 B3R0.2 CC(=O)[O-] CHEBI:85138 [1,0,0,0,0,0|0,0,3]=4 216 B3R0.2 CC(=O)[S-] CHEBI:30320 [1,0,0,0,0,0|0,1,2]=4 217 B3R0.2 CC(=S)C CHEBI:36580 [1,0,0,0,0,0|0,1,1]=3 218 B3R0.2 CC(=S)N CHEBI:32497 [1,0,0,0,0,0|1,1,1]=4 219 B3R0.2 CC(=S)O CHEBI:46800 [1,0,0,0,0,0|0,1,1]=3 220 B3R0.2 CC(C)C CHEBI:30363 [1,0,0,0,0,0|1,0,0]=2 221 B3R0.2 CC(C)N CHEBI:15739 [1,0,0,0,0,0|1,0,0]=2 222 B3R0.2 CC(C)O CHEBI:17824 [1,0,0,0,0,0|0,0,0]=1 223 B3R0.2 CC(C)S CHEBI:8474 [1,0,0,0,0,0|0,1,0]=2 224 B3R0.2 CC(C)[NH3+] CHEBI:57492 [1,0,0,0,0,0|1,0,0]=2 225 B3R0.2 CN(C)C CHEBI:18139 [1,0,0,0,0,0|2,0,0]=3 226 B3R0.2 CN(C)C CHEBI:64700 [1,0,0,0,0,0|2,0,0]=3 227 B3R0.2 CN(C)N CHEBI:18853 [1,0,0,0,0,0|2,0,0]=3 228 B3R0.2 CP(C)C CHEBI:35890 [1,0,0,0,0,0|2,0,0]=3 229 B3R0.2 CS(=O)C CHEBI:28262 [1,0,0,0,0,0|1,0,1]=3 230 B3R0.2 CS(=O)O CHEBI:133897 [1,0,0,0,0,0|1,0,1]=3 231 B3R0.2 CS(=O)[O-] CHEBI:133603 [1,0,0,0,0,0|1,0,2]=4 232 B3R0.2 C[As](C)C CHEBI:27130 [1,0,0,0,0,0|2,0,0]=3 233 B3R0.2 C[As](C)O CHEBI:23808 [1,0,0,0,0,0|1,0,0]=2 234 B3R0.2 C[As](O)O CHEBI:17826 [1,0,0,0,0,0|1,0,0]=2 235 B3R0.2 C[As]([O-])[O-] CHEBI:14597 [1,0,0,0,0,0|1,0,2]=4 236 B3R0.2 C[N+](=O)[O-] CHEBI:77701 [1,0,0,0,0,0|1,0,2]=4 237 B3R0.2 C[NH+](C)C CHEBI:58389 [1,0,0,0,0,0|2,0,0]=3 238 B3R0.2 C[S+](C)C CHEBI:17434 [1,0,0,0,0,0|2,0,0]=3 239 B3R0.2 C[Se+](C)C CHEBI:77058 [1,0,0,0,0,0|2,0,0]=3 240 B3R0.2 C[Se](=O)O CHEBI:77012 [1,0,0,0,0,0|1,0,1]=3 241 B3R0.2 C[SnH](C)C CHEBI:63948 [1,0,0,0,0,0|2,0,0]=3 242 B3R0.2 NP(O)O CHEBI:59748 [1,0,0,0,0,0|2,0,0]=3 243 B3R0.2 NS(=N)O CHEBI:51964 [1,0,0,0,0,0|3,0,0]=4 244 B3R0.2 OBr(=O)=O CHEBI:49382 [1,0,0,0,0,0|2,0,1]=4 245 B3R0.2 OCl(=O)=O CHEBI:17322 [1,0,0,0,0,0|2,0,1]=4 246 B3R0.2 OI(=O)=O CHEBI:24857 [1,0,0,0,0,0|2,0,1]=4 247 B3R0.2 OP(=O)O CHEBI:44976 [1,0,0,0,0,0|2,0,0]=3 248 B3R0.2 OP(=O)[O-] CHEBI:33462 [1,0,0,0,0,0|2,0,1]=4 249 B3R0.2 OP(=S)O CHEBI:50151 [1,0,0,0,0,0|2,0,0]=3 250 B3R0.2 OP(O)O CHEBI:36361 [1,0,0,0,0,0|2,0,0]=3 251 B3R0.2 OP(O)[O-] CHEBI:29258 [1,0,0,0,0,0|2,0,0]=3 252 B3R0.2 OP([O-])[O-] CHEBI:29259 [1,0,0,0,0,0|2,0,1]=4 253 B3R0.2 OP([O-])[O] CHEBI:29927 [1,0,0,0,0,0|2,0,1]=4 254 B3R0.2 OS(=O)=O CHEBI:29214 [1,0,0,0,0,0|2,0,1]=4 255 B3R0.2 OS(=O)O CHEBI:48854 [1,0,0,0,0,0|2,0,0]=3 256 B3R0.2 OS(=O)S CHEBI:35926 [1,0,0,0,0,0|2,0,1]=4 257 B3R0.2 OS(=O)[O-] CHEBI:17137 [1,0,0,0,0,0|2,0,1]=4 258 B3R0.2 OS(=O)[O-] CHEBI:26709 [1,0,0,0,0,0|2,0,1]=4 259 B3R0.2 OS(=O)[S-] CHEBI:35945 [1,0,0,0,0,0|2,0,1]=4 260 B3R0.2 OS(=S)O CHEBI:50152 [1,0,0,0,0,0|2,0,0]=3 261 B3R0.2 O[Al](O)O CHEBI:33130 [1,0,0,0,0,0|2,0,0]=3 262 B3R0.2 O[AsH](=O)O CHEBI:29850 [1,0,0,0,0,0|2,0,0]=3 263 B3R0.2 O[AsH](=O)[O-] CHEBI:64448 [1,0,0,0,0,0|2,0,1]=4 264 B3R0.2 O[As](O)O CHEBI:49900 [1,0,0,0,0,0|2,0,0]=3 265 B3R0.2 O[As](O)[O-] CHEBI:29242 [1,0,0,0,0,0|2,0,0]=3 266 B3R0.2 O[As]([O-])[O-] CHEBI:29243 [1,0,0,0,0,0|2,0,1]=4 267 B3R0.2 O[SbH](=O)O CHEBI:30298 [1,0,0,0,0,0|2,0,0]=3 268 B3R0.2 O[Sb](O)O CHEBI:49870 [1,0,0,0,0,0|2,0,0]=3 269 B3R0.2 O[SeH](=O)=O CHEBI:29217 [1,0,0,0,0,0|2,0,1]=4 270 B3R0.2 O[Se](=O)O CHEBI:26642 [1,0,0,0,0,0|2,0,0]=3 271 B3R0.2 O[Se](=O)[O-] CHEBI:29924 [1,0,0,0,0,0|2,0,1]=4 272 B3R0.2 O[TeH](=O)=O CHEBI:30466 [1,0,0,0,0,0|2,0,1]=4 273 B3R0.2 O[Te](=O)O CHEBI:30465 [1,0,0,0,0,0|2,0,0]=3 274 B3R0.2 O[Te](=O)[O-] CHEBI:33522 [1,0,0,0,0,0|2,0,1]=4 275 B3R0.2 [*]B(O)O CHEBI:38269 [1,0,0,0,0,0|2,0,0]=3 276 B3R0.2 [*]B([*])O CHEBI:38270 [1,0,0,0,0,0|3,0,0]=4 277 B3R0.2 [*]C(=O)O CHEBI:33575 [1,0,0,0,0,0|1,0,2]=4 278 B3R0.2 [*]C(O)O CHEBI:63733 [1,0,0,0,0,0|1,0,0]=2 279 B3R0.2 [Li]C(=C)C CHEBI:51485 [1,0,0,0,0,0|1,0,2]=4 280 B3R0.2 [N+](=O)(O)[O-] CHEBI:48107 [1,0,0,0,0,0|2,0,1]=4 281 B3R0.2 [NH+](O)(O)[O-] CHEBI:37769 [1,0,0,0,0,0|2,0,0]=3 282 B5R0.1 C#CCC(=O)O CHEBI:1461 [0,1,0,0,0,0|2,0,1]=4 283 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.1 C(C(=O)O)NO CHEBI:38049 [0,1,0,0,0,0|1,0,1]=3 285 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [0,1,0,0,0,0|1,0,2]=4 286 B5R0.1 C(CN)C(=O)O CHEBI:16958 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.1 C(CO)C(=O)O CHEBI:33404 [0,1,0,0,0,0|1,0,1]=3 288 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [0,1,0,0,0,0|1,0,2]=4 289 B5R0.1 C(CS(=O)O)N CHEBI:16668 [0,1,0,0,0,0|3,0,0]=4 290 B5R0.1 C(CS)C(=O)O CHEBI:44111 [0,1,0,0,0,0|1,1,1]=4 291 B5R0.1 C(NC(=O)N)O CHEBI:16481 [0,1,0,0,0,0|1,0,2]=4 292 B5R0.1 C(N[N+](=O)[O-])O CHEBI:24722 [0,1,0,0,0,0|2,0,1]=4 293 B5R0.1 C=CCC(=O)O CHEBI:35897 [0,1,0,0,0,0|2,0,1]=4 294 B5R0.1 CC(=C)CCO CHEBI:62898 [0,1,0,0,0,0|1,0,1]=3 295 B5R0.1 CC(=CCO)C CHEBI:16019 [0,1,0,0,0,0|1,0,1]=3 296 B5R0.1 CC(=O)CC=C CHEBI:87508 [0,1,0,0,0,0|1,0,2]=4 297 B5R0.1 CC(=O)CCO CHEBI:41268 [0,1,0,0,0,0|0,0,2]=3 298 B5R0.1 CC(C)CC=O CHEBI:16638 [0,1,0,0,0,0|1,0,1]=3 299 B5R0.1 CC(C)CCN CHEBI:43689 [0,1,0,0,0,0|2,0,0]=3 300 B5R0.1 CC(C)CCO CHEBI:15837 [0,1,0,0,0,0|1,0,0]=2 301 B5R0.1 CC(C)CNO CHEBI:131928 [0,1,0,0,0,0|1,0,0]=2 302 B5R0.1 CC(C)\C=C\O CHEBI:77922 [0,1,0,0,0,0|1,0,1]=3 303 B5R0.1 CC(C)\C=N/O CHEBI:61144 [0,1,0,0,0,0|1,0,1]=3 304 B5R0.1 CC(C)\C=N\O CHEBI:17502 [0,1,0,0,0,0|1,0,1]=3 305 B5R0.1 CC(C)\C=N\O CHEBI:61143 [0,1,0,0,0,0|1,0,1]=3 306 B5R0.1 CC(CCO)O CHEBI:52683 [0,1,0,0,0,0|0,0,0]=1 307 B5R0.1 CCCC(=O)C CHEBI:16472 [0,1,0,0,0,0|1,0,2]=4 308 B5R0.1 CCCC(=O)O CHEBI:30772 [0,1,0,0,0,0|2,0,1]=4 309 B5R0.1 CCCC(C)O CHEBI:77518 [0,1,0,0,0,0|1,0,0]=2 310 B5R0.1 CCNC(=O)C CHEBI:87370 [0,1,0,0,0,0|1,0,2]=4 311 B5R0.1 CCOC(=O)C CHEBI:27750 [0,1,0,0,0,0|1,0,2]=4 312 B5R0.1 CCOC(=O)O CHEBI:50849 [0,1,0,0,0,0|2,0,1]=4 313 B5R0.1 CCOP(=O)O CHEBI:40926 [0,1,0,0,0,0|3,0,0]=4 314 B5R0.1 CN(C)CCCl CHEBI:78153 [0,1,0,0,0,0|3,0,0]=4 315 B5R0.1 CN(C)CCCl CHEBI:78155 [0,1,0,0,0,0|3,0,0]=4 316 B5R0.1 CN(C)CCO CHEBI:271436 [0,1,0,0,0,0|2,0,0]=3 317 B5R0.1 CNCC(=O)O CHEBI:15611 [0,1,0,0,0,0|2,0,1]=4 318 B5R0.1 COCC(=O)O CHEBI:132098 [0,1,0,0,0,0|1,0,1]=3 319 B5R0.1 COCC(=O)[O-] CHEBI:132096 [0,1,0,0,0,0|1,0,2]=4 320 B5R0.1 COCC(=O)[O-] CHEBI:132097 [0,1,0,0,0,0|1,0,2]=4 321 B5R0.1 CSCC(=O)O CHEBI:47870 [0,1,0,0,0,0|1,1,1]=4 322 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [0,1,0,0,0,0|0,0,0]=1 323 B5R0.1 C[C@H](CCO)O CHEBI:52687 [0,1,0,0,0,0|0,0,0]=1 324 B5R0.1 C[NH+](C)CCCl CHEBI:78154 [0,1,0,0,0,0|3,0,0]=4 325 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [0,1,0,0,0,0|2,0,1]=4 326 B5R0.1 C[S+](C)CCO CHEBI:63035 [0,1,0,0,0,0|2,0,0]=3 327 B5R0.1 C\[N+](=N\CO)\[O-] CHEBI:29323 [0,1,0,0,0,0|1,0,1]=3 328 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [0,1,0,0,0,0|0,0,3]=4 329 B5R0.3 C(C(=O)CO)O CHEBI:16016 [0,1,0,0,0,0|0,0,2]=3 330 B5R0.3 C(C(=O)NO)N CHEBI:75426 [0,1,0,0,0,0|1,0,2]=4 331 B5R0.3 C(C(C=O)O)O CHEBI:15693 [0,1,0,0,0,0|0,0,1]=2 332 B5R0.3 C(C(C=O)O)O CHEBI:5445 [0,1,0,0,0,0|0,0,1]=2 333 B5R0.3 C(C(CBr)Br)Br CHEBI:18859 [0,1,0,0,0,0|2,0,0]=3 334 B5R0.3 C(C(CBr)O)O CHEBI:18719 [0,1,0,0,0,0|0,0,0]=1 335 B5R0.3 C(C(CCl)O)Cl CHEBI:18917 [0,1,0,0,0,0|1,0,0]=2 336 B5R0.3 C(C(CCl)O)O CHEBI:18721 [0,1,0,0,0,0|0,0,0]=1 337 B5R0.3 C(C(CO)O)O CHEBI:17522 [0,1,0,0,0,0|0,0,0]=1 338 B5R0.3 C(C(CO)O)O CHEBI:17754 [0,1,0,0,0,0|0,0,0]=1 339 B5R0.3 C(C(CS)O)O CHEBI:74537 [0,1,0,0,0,0|0,0,0]=1 340 B5R0.3 C(C(CS)S)O CHEBI:64198 [0,1,0,0,0,0|0,1,0]=2 341 B5R0.3 C([C@@H](C=O)O)O CHEBI:27975 [0,1,0,0,0,0|0,0,1]=2 342 B5R0.3 C([C@H](C=O)O)O CHEBI:17378 [0,1,0,0,0,0|0,0,1]=2 343 B5R0.3 C([C@H](CCl)O)O CHEBI:18663 [0,1,0,0,0,0|0,0,0]=1 344 B5R0.3 C([C@H](CS)O)O CHEBI:45619 [0,1,0,0,0,0|0,0,0]=1 345 B5R0.3 CCC(=O)CC CHEBI:87755 [0,1,0,0,0,0|1,0,2]=4 346 B5R0.3 CCC(C)C#N CHEBI:61669 [0,1,0,0,0,0|2,0,0]=3 347 B5R0.3 CCC(C)C=O CHEBI:16182 [0,1,0,0,0,0|1,0,1]=3 348 B5R0.3 CCC(C)CO CHEBI:48945 [0,1,0,0,0,0|1,0,0]=2 349 B5R0.3 CCC(C)NC CHEBI:84267 [0,1,0,0,0,0|2,0,0]=3 350 B5R0.3 CCC(CC)N CHEBI:84248 [0,1,0,0,0,0|2,0,0]=3 351 B5R0.3 CCC(CC)O CHEBI:77519 [0,1,0,0,0,0|1,0,0]=2 352 B5R0.3 CCC(CO)O CHEBI:52682 [0,1,0,0,0,0|0,0,0]=1 353 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [0,1,0,0,0,0|1,0,0]=2 354 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [0,1,0,0,0,0|1,0,0]=2 355 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [0,1,0,0,0,0|0,0,0]=1 356 B5R0.3 CC[C@H](C)CO CHEBI:50625 [0,1,0,0,0,0|1,0,0]=2 357 B5R0.3 CC[C@H](CO)O CHEBI:52685 [0,1,0,0,0,0|0,0,0]=1 358 B5R0.3 CNC(=O)CS CHEBI:38731 [0,1,0,0,0,0|0,1,2]=4 359 B5R0.3 COC(=O)CN CHEBI:87375 [0,1,0,0,0,0|1,0,2]=4 360 B5R0.3 C\C(=N\O)\SC CHEBI:38534 [0,1,0,0,0,0|1,1,1]=4 361 B5R0.4 C(C(Cl)(Cl)Cl)Cl CHEBI:34024 [0,1,0,0,0,0|3,0,0]=4 362 B5R0.4 C(C(Cl)(Cl)Cl)O CHEBI:28094 [0,1,0,0,0,0|2,0,0]=3 363 B5R0.4 C(C(F)(F)F)O CHEBI:42330 [0,1,0,0,0,0|2,0,0]=3 364 B5R0.4 C(N)P(=O)(O)O CHEBI:28812 [0,1,0,0,0,0|3,0,0]=4 365 B5R0.4 C(O)P(=O)(O)O CHEBI:5810 [0,1,0,0,0,0|2,0,0]=3 366 B5R0.4 C(O)P(=O)(O)[O-] CHEBI:71199 [0,1,0,0,0,0|2,0,0]=3 367 B5R0.4 C(O)[Si](O)(O)O CHEBI:24725 [0,1,0,0,0,0|1,1,0]=3 368 B5R0.4 CC(C)(C#N)O CHEBI:15348 [0,1,0,0,0,0|1,0,1]=3 369 B5R0.4 CC(C)(C)OC CHEBI:27642 [0,1,0,0,0,0|3,0,0]=4 370 B5R0.4 CC(C)(C)OO CHEBI:64090 [0,1,0,0,0,0|2,0,0]=3 371 B5R0.4 CC(C)(C=C)O CHEBI:132752 [0,1,0,0,0,0|1,0,1]=3 372 B5R0.4 CC(C)(C=O)O CHEBI:131846 [0,1,0,0,0,0|0,0,2]=3 373 B5R0.4 CC(C)(CO)O CHEBI:131845 [0,1,0,0,0,0|0,0,0]=1 374 B5R0.4 CCC(C)(C)N CHEBI:84236 [0,1,0,0,0,0|2,0,0]=3 375 B5R0.4 CCC(C)(C)O CHEBI:132750 [0,1,0,0,0,0|1,0,0]=2 376 B5R0.4 CCS(=O)(=O)O CHEBI:42465 [0,1,0,0,0,0|3,0,0]=4 377 B5R0.4 CC[N+](C)(C)C CHEBI:271685 [0,1,0,0,0,0|3,0,0]=4 378 B5R0.4 CC[N+](C)(C)C CHEBI:55320 [0,1,0,0,0,0|3,0,0]=4 379 B5R0.4 CC[Si](C)(C)C CHEBI:48788 [0,1,0,0,0,0|2,1,0]=4 380 B5R0.4 C[Si](C=O)(O)O CHEBI:24096 [0,1,0,0,0,0|0,1,2]=4 381 B5R0.4 C[Si](CO)(O)O CHEBI:24720 [0,1,0,0,0,0|0,1,0]=2 382 B5R0.4 OOP(=O)(O)O CHEBI:29282 [0,1,0,0,0,0|3,0,0]=4 383 B5R0.4 OOS(=O)(=O)O CHEBI:29286 [0,1,0,0,0,0|3,0,0]=4 384 B5R0.4 [*]C([*])(C#N)O CHEBI:23437 [0,1,0,0,0,0|2,0,1]=4 385 B5R0.4 [B-](O)(O)(O)OO CHEBI:30177 [0,1,0,0,0,0|3,0,0]=4 386 B5R0.5 B(B(O)O)(O)O CHEBI:38289 [0,1,0,0,0,0|3,0,0]=4 387 B5R0.5 C(=O)(C(=O)O)O CHEBI:16995 [0,1,0,0,0,0|1,0,2]=4 388 B5R0.5 C(C(=O)O)(Br)Br CHEBI:90124 [0,1,0,0,0,0|2,0,1]=4 389 B5R0.5 C(C(=O)O)(Cl)Br CHEBI:64206 [0,1,0,0,0,0|2,0,1]=4 390 B5R0.5 C(C(=O)O)(Cl)Cl CHEBI:36386 [0,1,0,0,0,0|2,0,1]=4 391 B5R0.5 C(C(=O)O)(F)F CHEBI:23716 [0,1,0,0,0,0|2,0,1]=4 392 B5R0.5 C(C(=O)O)(N)O CHEBI:38048 [0,1,0,0,0,0|1,0,1]=3 393 B5R0.5 C(C(Cl)Cl)(Cl)Cl CHEBI:36026 [0,1,0,0,0,0|3,0,0]=4 394 B5R0.5 C=C(C(=O)O)O CHEBI:86354 [0,1,0,0,0,0|0,0,3]=4 395 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [0,1,0,0,0,0|1,0,2]=4 396 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [0,1,0,0,0,0|1,0,2]=4 397 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [0,1,0,0,0,0|0,0,3]=4 398 B5R0.5 CC(C(=O)C)O CHEBI:15688 [0,1,0,0,0,0|0,0,2]=3 399 B5R0.5 CC(C(=O)N)O CHEBI:75144 [0,1,0,0,0,0|0,0,2]=3 400 B5R0.5 CC(C(=O)O)N CHEBI:16449 [0,1,0,0,0,0|1,0,1]=3 401 B5R0.5 CC(C(=O)O)O CHEBI:78320 [0,1,0,0,0,0|0,0,1]=2 402 B5R0.5 CC(C(=O)O)S CHEBI:47872 [0,1,0,0,0,0|0,1,1]=3 403 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [0,1,0,0,0,0|1,0,1]=3 404 B5R0.5 CC(C(=O)[O-])N CHEBI:32439 [0,1,0,0,0,0|1,0,2]=4 405 B5R0.5 CC(C(=O)[O-])O CHEBI:24996 [0,1,0,0,0,0|0,0,2]=3 406 B5R0.5 CC(C(=O)[O-])O CHEBI:75228 [0,1,0,0,0,0|0,0,2]=3 407 B5R0.5 CC(C(=O)[O-])[NH3+] CHEBI:66916 [0,1,0,0,0,0|1,0,2]=4 408 B5R0.5 CC(C(C)O)O CHEBI:62064 [0,1,0,0,0,0|0,0,0]=1 409 B5R0.5 CC(C)C(=O)O CHEBI:16135 [0,1,0,0,0,0|1,0,1]=3 410 B5R0.5 CC(C)C(=O)[O-] CHEBI:48944 [0,1,0,0,0,0|1,0,2]=4 411 B5R0.5 CC(C)C(C)O CHEBI:77517 [0,1,0,0,0,0|1,0,0]=2 412 B5R0.5 CC(C)[N+](=O)[O-] CHEBI:16037 [0,1,0,0,0,0|2,0,1]=4 413 B5R0.5 CN(C)C(=O)O CHEBI:38544 [0,1,0,0,0,0|2,0,1]=4 414 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [0,1,0,0,0,0|0,0,2]=3 415 B5R0.5 C[C@@H](C(=O)N)N CHEBI:21217 [0,1,0,0,0,0|1,0,2]=4 416 B5R0.5 C[C@@H](C(=O)N)[NH3+] CHEBI:74169 [0,1,0,0,0,0|1,0,2]=4 417 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [0,1,0,0,0,0|1,0,1]=3 418 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [0,1,0,0,0,0|1,0,1]=3 419 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [0,1,0,0,0,0|0,0,1]=2 420 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [0,1,0,0,0,0|0,1,1]=3 421 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [0,1,0,0,0,0|1,0,1]=3 422 B5R0.5 C[C@@H](C(=O)[O-])Cl CHEBI:73934 [0,1,0,0,0,0|1,0,2]=4 423 B5R0.5 C[C@@H](C(=O)[O-])N CHEBI:32431 [0,1,0,0,0,0|1,0,2]=4 424 B5R0.5 C[C@@H](C(=O)[O-])O CHEBI:16651 [0,1,0,0,0,0|0,0,2]=3 425 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] CHEBI:57972 [0,1,0,0,0,0|1,0,2]=4 426 B5R0.5 C[C@@H]([C@H](C)O)O CHEBI:16812 [0,1,0,0,0,0|0,0,0]=1 427 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [0,1,0,0,0,0|0,0,2]=3 428 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [0,1,0,0,0,0|1,0,1]=3 429 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [0,1,0,0,0,0|0,0,1]=2 430 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [0,1,0,0,0,0|0,1,1]=3 431 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [0,1,0,0,0,0|1,0,1]=3 432 B5R0.5 C[C@H](C(=O)[O-])N CHEBI:32435 [0,1,0,0,0,0|1,0,2]=4 433 B5R0.5 C[C@H](C(=O)[O-])O CHEBI:16004 [0,1,0,0,0,0|0,0,2]=3 434 B5R0.5 C[C@H](C(=O)[O-])[NH3+] CHEBI:57416 [0,1,0,0,0,0|1,0,2]=4 435 B5R0.5 C[C@H]([C@@H](C)O)O CHEBI:16982 [0,1,0,0,0,0|0,0,0]=1 436 B5R0.5 C[C@H]([C@H](C)O)O CHEBI:75460 [0,1,0,0,0,0|0,0,0]=1 437 B5R0.5 OS(=O)S(=O)O CHEBI:29253 [0,1,0,0,0,0|3,0,0]=4 438 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [0,1,0,0,0,0|1,0,1]=3 439 B5R1.2 C1COC1=O CHEBI:49073 [0,0,0,1,0,0|2,0,1]=4 440 B5R1.3 C1C(O1)CBr CHEBI:18718 [0,0,0,1,0,0|1,0,0]=2 441 B5R1.3 C1C(O1)CCl CHEBI:37144 [0,0,0,1,0,0|1,0,0]=2 442 B5R1.3 C1C(O1)CO CHEBI:30966 [0,0,0,1,0,0|0,0,0]=1 443 B5R1.3 C1[C@@H](O1)CCl CHEBI:18662 [0,0,0,1,0,0|1,0,0]=2 444 B5R1.3 C1[C@@H](O1)CO CHEBI:38690 [0,0,0,1,0,0|0,0,0]=1 445 B5R1.3 C1[C@H](O1)CCl CHEBI:37145 [0,0,0,1,0,0|1,0,0]=2 446 B5R1.3 C1[C@H](O1)CO CHEBI:18664 [0,0,0,1,0,0|0,0,0]=1 447 B5R1.3 C=CC1CN1 CHEBI:51318 [0,0,0,1,0,0|2,0,1]=4 448 B5R1.5 C[N+]1(CC1)C CHEBI:50947 [0,0,0,1,0,0|3,0,0]=4 449 B2R0.1 B(O)O CHEBI:38267 [2,0,0,0,0,0|1,0,0]=3 450 B2R0.1 C(#N)O CHEBI:28024 [2,0,0,0,0,0|1,0,1]=4 451 B2R0.1 C(=N)O CHEBI:48431 [2,0,0,0,0,0|1,0,1]=4 452 B2R0.1 C(=O)O CHEBI:30751 [2,0,0,0,0,0|0,0,2]=4 453 B2R0.1 C(Br)Br CHEBI:47077 [2,0,0,0,0,0|2,0,0]=4 454 B2R0.1 C(Cl)Br CHEBI:17194 [2,0,0,0,0,0|2,0,0]=4 455 B2R0.1 C(Cl)Cl CHEBI:15767 [2,0,0,0,0,0|2,0,0]=4 456 B2R0.1 C(F)F CHEBI:47855 [2,0,0,0,0,0|2,0,0]=4 457 B2R0.1 C(N)N CHEBI:35413 [2,0,0,0,0,0|2,0,0]=4 458 B2R0.1 C(O)O CHEBI:48397 [2,0,0,0,0,0|0,0,0]=2 459 B2R0.1 CC#C CHEBI:48086 [2,0,0,0,0,0|0,0,2]=4 460 B2R0.1 CC#N CHEBI:38472 [2,0,0,0,0,0|1,0,1]=4 461 B2R0.1 CC=C CHEBI:16052 [2,0,0,0,0,0|0,0,2]=4 462 B2R0.1 CC=O CHEBI:15343 [2,0,0,0,0,0|0,0,2]=4 463 B2R0.1 CC=O CHEBI:16571 [2,0,0,0,0,0|0,0,2]=4 464 B2R0.1 CCC CHEBI:32879 [2,0,0,0,0,0|0,0,0]=2 465 B2R0.1 CCCl CHEBI:47554 [2,0,0,0,0,0|1,0,0]=3 466 B2R0.1 CCI CHEBI:42487 [2,0,0,0,0,0|1,0,0]=3 467 B2R0.1 CCN CHEBI:15862 [2,0,0,0,0,0|1,0,0]=3 468 B2R0.1 CCO CHEBI:16236 [2,0,0,0,0,0|0,0,0]=2 469 B2R0.1 CCO CHEBI:17246 [2,0,0,0,0,0|0,0,0]=2 470 B2R0.1 CCP CHEBI:35889 [2,0,0,0,0,0|1,0,0]=3 471 B2R0.1 CC[Hg+] CHEBI:33204 [2,0,0,0,0,0|1,0,0]=3 472 B2R0.1 CC[NH3+] CHEBI:566789 [2,0,0,0,0,0|1,0,0]=3 473 B2R0.1 CC[NH3+] CHEBI:63880 [2,0,0,0,0,0|1,0,0]=3 474 B2R0.1 CC[O-] CHEBI:52092 [2,0,0,0,0,0|0,0,1]=3 475 B2R0.1 CC[O-] CHEBI:52096 [2,0,0,0,0,0|0,0,1]=3 476 B2R0.1 CNC CHEBI:17170 [2,0,0,0,0,0|1,0,0]=3 477 B2R0.1 COC CHEBI:28887 [2,0,0,0,0,0|1,0,0]=3 478 B2R0.1 CPC CHEBI:35888 [2,0,0,0,0,0|1,0,0]=3 479 B2R0.1 CSC CHEBI:17437 [2,0,0,0,0,0|1,0,0]=3 480 B2R0.1 CSO CHEBI:48272 [2,0,0,0,0,0|1,0,0]=3 481 B2R0.1 C[C]=O CHEBI:46887 [2,0,0,0,0,0|0,0,2]=4 482 B2R0.1 C[Hg]C CHEBI:30786 [2,0,0,0,0,0|1,0,0]=3 483 B2R0.1 C[Hg]Cl CHEBI:28216 [2,0,0,0,0,0|2,0,0]=4 484 B2R0.1 C[Mg]Cl CHEBI:51492 [2,0,0,0,0,0|2,0,0]=4 485 B2R0.1 C[N+]#[C-] CHEBI:44177 [2,0,0,0,0,0|1,0,1]=4 486 B2R0.1 C[NH2+]C CHEBI:58040 [2,0,0,0,0,0|1,0,0]=3 487 B2R0.1 C[Se]C CHEBI:4610 [2,0,0,0,0,0|1,0,0]=3 488 B2R0.1 C[Se]O CHEBI:77062 [2,0,0,0,0,0|1,0,0]=3 489 B2R0.1 C[SnH2]C CHEBI:30538 [2,0,0,0,0,0|1,0,0]=3 490 B2R0.1 C[Sn]C CHEBI:30539 [2,0,0,0,0,0|1,0,0]=3 491 B2R0.1 C[Te]C CHEBI:4613 [2,0,0,0,0,0|1,0,0]=3 492 B2R0.1 C[Zn]C CHEBI:51497 [2,0,0,0,0,0|1,0,0]=3 493 B2R0.1 N(=O)O CHEBI:25567 [2,0,0,0,0,0|1,0,1]=4 494 B2R0.1 OBr=O CHEBI:29247 [2,0,0,0,0,0|1,0,1]=4 495 B2R0.1 OCl=O CHEBI:29219 [2,0,0,0,0,0|1,0,1]=4 496 B2R0.1 OF=O CHEBI:47862 [2,0,0,0,0,0|1,0,1]=4 497 B2R0.1 OI=O CHEBI:29229 [2,0,0,0,0,0|1,0,1]=4 498 B2R0.1 OOO CHEBI:46736 [2,0,0,0,0,0|1,0,0]=3 499 B2R0.1 OO[O] CHEBI:29411 [2,0,0,0,0,0|1,0,1]=4 500 B2R0.1 OO[S] CHEBI:29409 [2,0,0,0,0,0|1,1,0]=4 501 B2R0.1 OP=O CHEBI:36363 [2,0,0,0,0,0|1,0,1]=4 502 B2R0.1 OPO CHEBI:29261 [2,0,0,0,0,0|1,0,0]=3 503 B2R0.1 OS=O CHEBI:29213 [2,0,0,0,0,0|1,0,1]=4 504 B2R0.1 OSO CHEBI:33536 [2,0,0,0,0,0|1,0,0]=3 505 B2R0.1 OS[O-] CHEBI:33538 [2,0,0,0,0,0|1,0,1]=4 506 B2R0.1 OS[O] CHEBI:29408 [2,0,0,0,0,0|1,0,1]=4 507 B2R0.1 O[Al]=O CHEBI:30188 [2,0,0,0,0,0|1,0,1]=4 508 B2R0.1 O[AsH2]=O CHEBI:29840 [2,0,0,0,0,0|1,0,1]=4 509 B2R0.1 O[AsH]O CHEBI:29847 [2,0,0,0,0,0|1,0,0]=3 510 B2R0.1 O[AsH][O-] CHEBI:33410 [2,0,0,0,0,0|1,0,1]=4 511 B2R0.1 O[PH2]=O CHEBI:29031 [2,0,0,0,0,0|1,0,1]=4 512 B2R0.1 O[P][O-] CHEBI:29926 [2,0,0,0,0,0|1,0,1]=4 513 B2R0.1 O[SbH2]=O CHEBI:30300 [2,0,0,0,0,0|1,0,1]=4 514 B2R0.1 O[SbH]O CHEBI:30299 [2,0,0,0,0,0|1,0,0]=3 515 B2R0.1 O[SeH]=O CHEBI:29218 [2,0,0,0,0,0|1,0,1]=4 516 B2R0.1 O[SiH2]O CHEBI:46888 [2,0,0,0,0,0|0,1,0]=3 517 B2R0.1 O[SiH2][SiH3] CHEBI:37174 [2,0,0,0,0,0|0,2,0]=4 518 B2R0.1 O[TeH]=O CHEBI:30467 [2,0,0,0,0,0|1,0,1]=4 519 B2R0.1 [*]CN CHEBI:17062 [2,0,0,0,0,0|2,0,0]=4 520 B2R0.1 [*]CO CHEBI:15734 [2,0,0,0,0,0|1,0,0]=3 521 B2R0.1 [C-]#[N+]O CHEBI:29814 [2,0,0,0,0,0|1,0,1]=4 522 B2R0.1 [C](=N)O CHEBI:33099 [2,0,0,0,0,0|1,0,1]=4 523 B2R0.1 [C](=O)O CHEBI:29326 [2,0,0,0,0,0|0,0,2]=4 524 B2R0.1 [C](=[N-])O CHEBI:29818 [2,0,0,0,0,0|1,0,1]=4 525 B2R0.1 [Li]CC CHEBI:51468 [2,0,0,0,0,0|1,0,0]=3 526 B2R0.1 [NH2+](O)[O-] CHEBI:37766 [2,0,0,0,0,0|1,0,1]=4 527 B4R0.2 B(O)OBO CHEBI:38273 [1,1,0,0,0,0|2,0,0]=4 528 B4R0.2 C#CCCO CHEBI:27444 [1,1,0,0,0,0|0,0,1]=3 529 B4R0.2 C(CN)C#N CHEBI:27413 [1,1,0,0,0,0|1,0,1]=4 530 B4R0.2 C(CN)C=O CHEBI:18090 [1,1,0,0,0,0|0,0,2]=4 531 B4R0.2 C(CN)C=O CHEBI:27390 [1,1,0,0,0,0|0,0,2]=4 532 B4R0.2 C(CN)CN CHEBI:15725 [1,1,0,0,0,0|1,0,0]=3 533 B4R0.2 C(CN)CN CHEBI:35411 [1,1,0,0,0,0|1,0,0]=3 534 B4R0.2 C(CN)CS CHEBI:38933 [1,1,0,0,0,0|0,1,0]=3 535 B4R0.2 C(CO)C=O CHEBI:17871 [1,1,0,0,0,0|0,0,1]=3 536 B4R0.2 C(CO)CO CHEBI:16109 [1,1,0,0,0,0|0,0,0]=2 537 B4R0.2 C(CO)NN CHEBI:50098 [1,1,0,0,0,0|1,0,0]=3 538 B4R0.2 C(CS)CS CHEBI:44864 [1,1,0,0,0,0|0,1,0]=3 539 B4R0.2 C(C[NH3+])C#N CHEBI:91086 [1,1,0,0,0,0|1,0,1]=4 540 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [1,1,0,0,0,0|0,0,2]=4 541 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:57484 [1,1,0,0,0,0|1,0,0]=3 542 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:70977 [1,1,0,0,0,0|1,0,0]=3 543 B4R0.2 C(NCS)S CHEBI:32670 [1,1,0,0,0,0|0,2,0]=4 544 B4R0.2 C(NC[S-])[S-] CHEBI:32671 [1,1,0,0,0,0|0,2,0]=4 545 B4R0.2 C(OCCl)Cl CHEBI:82270 [1,1,0,0,0,0|2,0,0]=4 546 B4R0.2 C(\C=C/Cl)O CHEBI:28967 [1,1,0,0,0,0|0,0,2]=4 547 B4R0.2 C(\C=C\Cl)O CHEBI:23120 [1,1,0,0,0,0|0,0,2]=4 548 B4R0.2 C(\C=C\Cl)O CHEBI:28960 [1,1,0,0,0,0|0,0,2]=4 549 B4R0.2 CCCC#N CHEBI:51937 [1,1,0,0,0,0|1,0,0]=3 550 B4R0.2 CCCC=O CHEBI:15743 [1,1,0,0,0,0|0,0,1]=3 551 B4R0.2 CCCCC CHEBI:37830 [1,1,0,0,0,0|1,0,0]=3 552 B4R0.2 CCCCN CHEBI:43799 [1,1,0,0,0,0|1,0,0]=3 553 B4R0.2 CCCCO CHEBI:28885 [1,1,0,0,0,0|0,0,0]=2 554 B4R0.2 CCCC[SnH3] CHEBI:22966 [1,1,0,0,0,0|1,0,0]=3 555 B4R0.2 CCCSO CHEBI:91018 [1,1,0,0,0,0|0,0,0]=2 556 B4R0.2 CCN=C=O CHEBI:85107 [1,1,0,0,0,0|0,0,2]=4 557 B4R0.2 CCN=C=S CHEBI:85098 [1,1,0,0,0,0|0,1,1]=4 558 B4R0.2 CCNCC CHEBI:85259 [1,1,0,0,0,0|1,0,0]=3 559 B4R0.2 CCOC=O CHEBI:52342 [1,1,0,0,0,0|0,0,2]=4 560 B4R0.2 CCOCC CHEBI:35702 [1,1,0,0,0,0|1,0,0]=3 561 B4R0.2 CCSCC CHEBI:27710 [1,1,0,0,0,0|1,0,0]=3 562 B4R0.2 CCSCS CHEBI:38829 [1,1,0,0,0,0|0,1,0]=3 563 B4R0.2 CC[NH2+]CC CHEBI:132181 [1,1,0,0,0,0|1,0,0]=3 564 B4R0.2 CC[Zn]CC CHEBI:51496 [1,1,0,0,0,0|1,0,0]=3 565 B4R0.2 CNCCO CHEBI:21763 [1,1,0,0,0,0|0,0,0]=2 566 B4R0.2 COCCO CHEBI:46790 [1,1,0,0,0,0|0,0,0]=2 567 B4R0.2 COCOC CHEBI:48341 [1,1,0,0,0,0|1,0,0]=3 568 B4R0.2 CSCCO CHEBI:63861 [1,1,0,0,0,0|0,0,0]=2 569 B4R0.2 C\C=C\CO CHEBI:62891 [1,1,0,0,0,0|0,0,1]=3 570 B4R0.2 [*]CCC=O CHEBI:84587 [1,1,0,0,0,0|0,0,2]=4 571 B4R0.2 [Li]CCCC CHEBI:51469 [1,1,0,0,0,0|1,0,0]=3 572 B4R0.3 CC(C)(C)C CHEBI:30358 [1,1,0,0,0,0|1,0,0]=3 573 B4R0.3 CC(C)(C)N CHEBI:44639 [1,1,0,0,0,0|1,0,0]=3 574 B4R0.3 CC(C)(C)O CHEBI:45895 [1,1,0,0,0,0|0,0,0]=2 575 B4R0.3 CC(C)(C)[NH3+] CHEBI:224366 [1,1,0,0,0,0|1,0,0]=3 576 B4R0.3 CC(Cl)(Cl)Cl CHEBI:36015 [1,1,0,0,0,0|2,0,0]=4 577 B4R0.3 CP(=O)(C)O CHEBI:23814 [1,1,0,0,0,0|1,0,0]=3 578 B4R0.3 CP(=O)(O)O CHEBI:45129 [1,1,0,0,0,0|1,0,0]=3 579 B4R0.3 CP(=O)(O)[O-] CHEBI:68684 [1,1,0,0,0,0|1,0,1]=4 580 B4R0.3 CS(=O)(=O)C CHEBI:9349 [1,1,0,0,0,0|1,0,1]=4 581 B4R0.3 CS(=O)(=O)O CHEBI:27376 [1,1,0,0,0,0|1,0,1]=4 582 B4R0.3 C[As](=O)(C)C CHEBI:27131 [1,1,0,0,0,0|1,0,1]=4 583 B4R0.3 C[As](=O)(C)O CHEBI:48765 [1,1,0,0,0,0|1,0,0]=3 584 B4R0.3 C[As](=O)(C)[O-] CHEBI:16223 [1,1,0,0,0,0|1,0,1]=4 585 B4R0.3 C[As](=O)(C)[O-] CHEBI:62956 [1,1,0,0,0,0|1,0,1]=4 586 B4R0.3 C[As](=O)(O)O CHEBI:29852 [1,1,0,0,0,0|1,0,0]=3 587 B4R0.3 C[As](=O)(O)[O-] CHEBI:33409 [1,1,0,0,0,0|1,0,1]=4 588 B4R0.3 C[N+](C)(C)C CHEBI:46020 [1,1,0,0,0,0|2,0,0]=4 589 B4R0.3 C[N+](C)(C)C CHEBI:55317 [1,1,0,0,0,0|2,0,0]=4 590 B4R0.3 C[N+](C)(C)[O-] CHEBI:15724 [1,1,0,0,0,0|1,0,1]=4 591 B4R0.3 C[Pb](C)(C)C CHEBI:30183 [1,1,0,0,0,0|2,0,0]=4 592 B4R0.3 C[Si](C)(C)C CHEBI:85361 [1,1,0,0,0,0|1,1,0]=4 593 B4R0.3 C[Si](C)(C)Cl CHEBI:85069 [1,1,0,0,0,0|1,1,0]=4 594 B4R0.3 C[Si](C)(O)O CHEBI:23816 [1,1,0,0,0,0|0,1,0]=3 595 B4R0.3 C[Si](O)(O)O CHEBI:25342 [1,1,0,0,0,0|0,1,0]=3 596 B4R0.3 C[Sn](C)(C)C CHEBI:30420 [1,1,0,0,0,0|2,0,0]=4 597 B4R0.3 C[Te](=O)(=O)O CHEBI:70755 [1,1,0,0,0,0|1,0,1]=4 598 B4R0.3 C[Te](C)(Cl)Cl CHEBI:30471 [1,1,0,0,0,0|2,0,0]=4 599 B4R0.3 NP(=O)(O)O CHEBI:15907 [1,1,0,0,0,0|2,0,0]=4 600 B4R0.3 OP(=O)(O)F CHEBI:30210 [1,1,0,0,0,0|2,0,0]=4 601 B4R0.3 OP(=O)(O)O CHEBI:26078 [1,1,0,0,0,0|2,0,0]=4 602 B4R0.3 OP(=O)(O)O CHEBI:52641 [1,1,0,0,0,0|2,0,0]=4 603 B4R0.3 OP(=O)(O)S CHEBI:46613 [1,1,0,0,0,0|2,0,0]=4 604 B4R0.3 OP(=O)(O)[O-] CHEBI:114249 [1,1,0,0,0,0|2,0,0]=4 605 B4R0.3 OP(=O)(O)[O-] CHEBI:35433 [1,1,0,0,0,0|2,0,0]=4 606 B4R0.3 OP(=O)(O)[O-] CHEBI:37585 [1,1,0,0,0,0|2,0,0]=4 607 B4R0.3 OP(=O)(O)[O-] CHEBI:39745 [1,1,0,0,0,0|2,0,0]=4 608 B4R0.3 OP(=O)(O)[O-] CHEBI:62982 [1,1,0,0,0,0|2,0,0]=4 609 B4R0.3 OP(=O)(O)[O-] CHEBI:63036 [1,1,0,0,0,0|2,0,0]=4 610 B4R0.3 OP(=O)(O)[O] CHEBI:29931 [1,1,0,0,0,0|2,0,0]=4 611 B4R0.3 OP(=O)(O)[SeH] CHEBI:64331 [1,1,0,0,0,0|2,0,0]=4 612 B4R0.3 OP(=S)(O)O CHEBI:46611 [1,1,0,0,0,0|2,0,0]=4 613 B4R0.3 OP(=S)(O)S CHEBI:74944 [1,1,0,0,0,0|2,0,0]=4 614 B4R0.3 OP(=[Se])(O)O CHEBI:29269 [1,1,0,0,0,0|2,0,0]=4 615 B4R0.3 OS(=O)(=O)O CHEBI:26836 [1,1,0,0,0,0|2,0,0]=4 616 B4R0.3 OS(=O)(=S)O CHEBI:29279 [1,1,0,0,0,0|2,0,0]=4 617 B4R0.3 OS(=S)(=S)O CHEBI:50494 [1,1,0,0,0,0|2,0,0]=4 618 B4R0.3 O[As](=O)(O)O CHEBI:18231 [1,1,0,0,0,0|2,0,0]=4 619 B4R0.3 O[As](=O)(O)[O-] CHEBI:48600 [1,1,0,0,0,0|2,0,0]=4 620 B4R0.3 O[As](=O)(O)[O-] CHEBI:77719 [1,1,0,0,0,0|2,0,0]=4 621 B4R0.3 O[Cd-2](O)(O)O CHEBI:36661 [1,1,0,0,0,0|2,0,0]=4 622 B4R0.3 O[Cr](=O)(=O)O CHEBI:33143 [1,1,0,0,0,0|2,0,0]=4 623 B4R0.3 O[Mn](=O)(=O)O CHEBI:35119 [1,1,0,0,0,0|2,0,0]=4 624 B4R0.3 O[Mn](=O)(O)O CHEBI:35125 [1,1,0,0,0,0|2,0,0]=4 625 B4R0.3 O[Mn](=O)(O)[O-] CHEBI:35126 [1,1,0,0,0,0|2,0,0]=4 626 B4R0.3 O[Mo](=O)(=O)O CHEBI:25371 [1,1,0,0,0,0|2,0,0]=4 627 B4R0.3 O[Sb](=O)(O)O CHEBI:30294 [1,1,0,0,0,0|2,0,0]=4 628 B4R0.3 O[Sb](=O)(O)[O-] CHEBI:36923 [1,1,0,0,0,0|2,0,0]=4 629 B4R0.3 O[Se](=O)(=O)O CHEBI:18170 [1,1,0,0,0,0|2,0,0]=4 630 B4R0.3 O[Si](O)(O)O CHEBI:26675 [1,1,0,0,0,0|1,1,0]=4 631 B4R0.3 O[Si](O)(O)[O-] CHEBI:48125 [1,1,0,0,0,0|1,1,0]=4 632 B4R0.3 O[Si](O)([O-])[O-] CHEBI:48124 [1,1,0,0,0,0|1,1,0]=4 633 B4R0.3 O[Te](=O)(=O)O CHEBI:30463 [1,1,0,0,0,0|2,0,0]=4 634 B4R0.3 O[V](=O)(O)O CHEBI:27273 [1,1,0,0,0,0|2,0,0]=4 635 B4R0.3 O[V](=O)(O)[O-] CHEBI:35169 [1,1,0,0,0,0|2,0,0]=4 636 B4R0.3 O[W](=O)(=O)O CHEBI:36272 [1,1,0,0,0,0|2,0,0]=4 637 B4R0.3 [*]C([*])(O)O CHEBI:63734 [1,1,0,0,0,0|1,0,0]=3 638 B4R0.3 [B-](O)(O)(O)O CHEBI:41132 [1,1,0,0,0,0|2,0,0]=4 639 B4R0.3 [Be-2](O)(O)(O)O CHEBI:30499 [1,1,0,0,0,0|2,0,0]=4 640 B6R0.1 C(CO)C(CO)O CHEBI:88063 [0,2,0,0,0,0|0,0,0]=2 641 B6R0.1 C=C(CCO)CO CHEBI:131368 [0,2,0,0,0,0|0,0,2]=4 642 B6R0.1 CC(C[197Hg]Cl)OC CHEBI:59455 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.1 CCC(C)CCO CHEBI:87381 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.1 CCC(C)\C=N/O CHEBI:61136 [0,2,0,0,0,0|1,0,0]=3 645 B6R0.1 CCC(C)\C=N\O CHEBI:61134 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.1 CCC(C)\C=N\O CHEBI:61135 [0,2,0,0,0,0|1,0,0]=3 647 B6R0.1 CCS(=O)CCO CHEBI:38736 [0,2,0,0,0,0|1,0,1]=4 648 B6R0.1 COCC(=O)CO CHEBI:37551 [0,2,0,0,0,0|0,0,2]=4 649 B6R0.1 C\C(=C\C=O)\CO CHEBI:133364 [0,2,0,0,0,0|0,0,2]=4 650 B6R0.2 C(C(=O)O)C(=O)O CHEBI:30794 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [0,2,0,0,0,0|0,0,2]=4 652 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [0,2,0,0,0,0|0,0,2]=4 653 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [0,2,0,0,0,0|1,0,0]=3 656 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [0,2,0,0,0,0|0,0,0]=2 657 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [0,2,0,0,0,0|0,0,1]=3 659 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [0,2,0,0,0,0|0,0,1]=3 660 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [0,2,0,0,0,0|2,0,0]=4 661 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [0,2,0,0,0,0|0,0,0]=2 662 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [0,2,0,0,0,0|0,0,1]=3 663 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [0,2,0,0,0,0|0,0,0]=2 664 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [0,2,0,0,0,0|0,0,1]=3 665 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [0,2,0,0,0,0|2,0,0]=4 666 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [0,2,0,0,0,0|0,0,2]=4 667 B6R0.3 C(=O)C(C(=O)O)O CHEBI:16992 [0,2,0,0,0,0|0,0,2]=4 668 B6R0.3 C(C(=O)C(=O)O)O CHEBI:30841 [0,2,0,0,0,0|1,0,1]=4 669 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,2,0,0,0,0|1,0,1]=4 671 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,2,0,0,0,0|1,0,0]=3 672 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,2,0,0,0,0|1,0,1]=4 673 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,2,0,0,0,0|1,0,1]=4 674 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,2,0,0,0,0|1,0,1]=4 675 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [0,2,0,0,0,0|0,0,1]=3 676 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [0,2,0,0,0,0|0,0,1]=3 677 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [0,2,0,0,0,0|1,0,0]=3 678 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [0,2,0,0,0,0|1,0,1]=4 679 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [0,2,0,0,0,0|1,0,1]=4 680 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [0,2,0,0,0,0|1,0,1]=4 681 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [0,2,0,0,0,0|0,0,1]=3 682 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [0,2,0,0,0,0|0,0,1]=3 683 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [0,2,0,0,0,0|1,0,1]=4 684 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,2,0,0,0,0|1,0,1]=4 686 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,2,0,0,0,0|1,0,0]=3 687 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,2,0,0,0,0|1,0,1]=4 688 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,2,0,0,0,0|1,0,1]=4 689 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,2,0,0,0,0|1,0,1]=4 690 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,2,0,0,0,0|1,0,1]=4 691 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,2,0,0,0,0|1,0,1]=4 692 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [0,2,0,0,0,0|0,0,1]=3 693 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [0,2,0,0,0,0|0,0,1]=3 694 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [0,2,0,0,0,0|1,0,0]=3 695 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [0,2,0,0,0,0|1,0,1]=4 696 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,2,0,0,0,0|1,0,0]=3 701 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,2,0,0,0,0|1,0,1]=4 702 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,2,0,0,0,0|1,0,1]=4 704 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [0,2,0,0,0,0|0,0,1]=3 705 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [0,2,0,0,0,0|0,0,1]=3 706 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [0,2,0,0,0,0|1,0,1]=4 709 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [0,2,0,0,0,0|1,0,1]=4 710 B6R0.3 C([C@H](C(=O)[O-])O)F CHEBI:55533 [0,2,0,0,0,0|0,0,2]=4 711 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [0,2,0,0,0,0|0,0,1]=3 712 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [0,2,0,0,0,0|1,0,1]=4 713 B6R0.3 CC(C(=O)OC)O CHEBI:83221 [0,2,0,0,0,0|0,0,1]=3 714 B6R0.3 CC(C(CO)O)O CHEBI:131388 [0,2,0,0,0,0|0,0,0]=2 715 B6R0.3 CC(C)C(=O)OC CHEBI:73689 [0,2,0,0,0,0|1,0,1]=4 716 B6R0.3 CC(C)C(CO)O CHEBI:65058 [0,2,0,0,0,0|0,0,0]=2 717 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [0,2,0,0,0,0|0,0,2]=4 718 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [0,2,0,0,0,0|1,0,0]=3 719 B6R0.3 CC(CN)C(=O)[O-] CHEBI:49096 [0,2,0,0,0,0|1,0,1]=4 720 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [0,2,0,0,0,0|0,0,0]=2 721 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [0,2,0,0,0,0|0,0,1]=3 722 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,2,0,0,0,0|1,0,1]=4 723 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [0,2,0,0,0,0|0,0,1]=3 724 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [0,2,0,0,0,0|0,0,2]=4 725 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [0,2,0,0,0,0|1,0,0]=3 726 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [0,2,0,0,0,0|1,0,1]=4 727 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [0,2,0,0,0,0|1,0,1]=4 728 B6R0.3 CCC(C)C(C)O CHEBI:77520 [0,2,0,0,0,0|1,0,0]=3 729 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,2,0,0,0,0|1,0,1]=4 730 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [0,2,0,0,0,0|0,0,1]=3 731 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [0,2,0,0,0,0|0,0,2]=4 732 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [0,2,0,0,0,0|1,0,0]=3 733 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,2,0,0,0,0|1,0,1]=4 734 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [0,2,0,0,0,0|0,0,1]=3 735 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [0,2,0,0,0,0|1,0,1]=4 737 B6R0.3 C[C@@H](C(=O)OC)O CHEBI:83222 [0,2,0,0,0,0|0,0,1]=3 738 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [0,2,0,0,0,0|0,0,2]=4 739 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.3 C[C@@H](CN)C(=O)[O-] CHEBI:18188 [0,2,0,0,0,0|1,0,1]=4 741 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [0,2,0,0,0,0|0,0,0]=2 742 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [0,2,0,0,0,0|0,0,1]=3 743 B6R0.3 C[C@@H](C[NH3+])C(=O)[O-] CHEBI:58655 [0,2,0,0,0,0|1,0,1]=4 744 B6R0.3 C[C@H](C(=O)OC)O CHEBI:74611 [0,2,0,0,0,0|0,0,1]=3 745 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [0,2,0,0,0,0|1,0,0]=3 746 B6R0.3 C[C@H](CN)C(=O)[O-] CHEBI:49097 [0,2,0,0,0,0|1,0,1]=4 747 B6R0.3 C[C@H](C[NH3+])C(=O)[O-] CHEBI:57731 [0,2,0,0,0,0|1,0,1]=4 748 B6R0.3 C\C(=N\O)\C(=O)O CHEBI:15730 [0,2,0,0,0,0|0,0,2]=4 749 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [0,2,0,0,0,0|1,0,1]=4 750 B6R0.4 CC(=O)NCCO CHEBI:74687 [0,2,0,0,0,0|0,0,2]=4 751 B6R0.4 CC(C)CCC=O CHEBI:17998 [0,2,0,0,0,0|1,0,1]=4 752 B6R0.4 CC(C)CCCO CHEBI:63910 [0,2,0,0,0,0|1,0,0]=3 753 B6R0.4 CC(C)CON=O CHEBI:46643 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.4 CC(C)NCCN CHEBI:84288 [0,2,0,0,0,0|2,0,0]=4 755 B6R0.4 CC(C)\C=N\OC CHEBI:16616 [0,2,0,0,0,0|1,0,1]=4 756 B6R0.4 CC(C)\C=N\OC CHEBI:35961 [0,2,0,0,0,0|1,0,1]=4 757 B6R0.5 C(CP(=O)(O)O)O CHEBI:1159 [0,2,0,0,0,0|2,0,0]=4 758 B6R0.5 C(CP(=O)(O)[O-])O CHEBI:60991 [0,2,0,0,0,0|2,0,0]=4 759 B6R0.5 C(CS(=O)(=O)O)O CHEBI:1157 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.5 C[As+](C)(C)CCO CHEBI:134092 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.5 C[N+](C)(C)CCO CHEBI:133341 [0,2,0,0,0,0|2,0,0]=4 762 B6R0.5 C[N+](C)(C)CCO CHEBI:15354 [0,2,0,0,0,0|2,0,0]=4 763 B6R0.5 C[N+](C)([11CH3])CCO CHEBI:72321 [0,2,0,0,0,0|2,0,0]=4 764 B6R0.5 C[N+](C)([11CH3])CCO CHEBI:72322 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.8 CC(CO)(CO)N CHEBI:991 [0,2,0,0,0,0|0,0,0]=2 766 B6R0.8 CCC(C)(C#N)O CHEBI:60954 [0,2,0,0,0,0|1,0,0]=3 767 B6R0.8 CCC(C)(CO)O CHEBI:131357 [0,2,0,0,0,0|0,0,0]=2 768 B6R0.8 CC[C@](C)(C#N)O CHEBI:60908 [0,2,0,0,0,0|1,0,0]=3 769 B6R0.7 C(C(Cl)(Cl)Cl)(O)O CHEBI:28142 [0,2,0,0,0,0|2,0,0]=4 770 B6R0.7 CC(C)(C(=O)O)N CHEBI:27971 [0,2,0,0,0,0|1,0,1]=4 771 B6R0.7 CC(C)(C(=O)O)O CHEBI:50129 [0,2,0,0,0,0|0,0,1]=3 772 B6R0.7 CC(C)(C(=O)[O-])O CHEBI:19641 [0,2,0,0,0,0|0,0,2]=4 773 B6R0.7 CC(C)(C)C(=O)O CHEBI:45133 [0,2,0,0,0,0|1,0,1]=4 774 B6R0.7 CC(C)S(=O)(=O)O CHEBI:62079 [0,2,0,0,0,0|2,0,0]=4 775 B6R0.7 C[C@H](N)P(=O)(O)O CHEBI:4075 [0,2,0,0,0,0|2,0,0]=4 776 B4R1.1 C1C=CO1 CHEBI:51195 [1,0,0,1,0,0|0,0,2]=4 777 B4R1.1 C1CC=C1 CHEBI:51206 [1,0,0,1,0,0|1,0,1]=4 778 B4R1.1 C1CCC1 CHEBI:30377 [1,0,0,1,0,0|1,0,0]=3 779 B4R1.1 C1CNC1 CHEBI:30968 [1,0,0,1,0,0|1,0,0]=3 780 B4R1.1 C1COC1 CHEBI:30965 [1,0,0,1,0,0|0,0,0]=2 781 B4R1.1 C1CSC1 CHEBI:87565 [1,0,0,1,0,0|0,1,0]=3 782 B4R1.2 C1C(O1)Cl CHEBI:29129 [1,0,0,1,0,0|1,0,0]=3 783 B4R1.2 C1CC1N CHEBI:34660 [1,0,0,1,0,0|1,0,0]=3 784 B4R1.2 CC1=CC1 CHEBI:132592 [1,0,0,1,0,0|1,0,1]=4 785 B4R1.2 CC1CO1 CHEBI:38685 [1,0,0,1,0,0|0,0,0]=2 786 B4R1.2 C[C@@H]1CO1 CHEBI:28985 [1,0,0,1,0,0|0,0,0]=2 787 B4R1.2 C[C@H]1CO1 CHEBI:28982 [1,0,0,1,0,0|0,0,0]=2 788 B6R1.2 C1CC(OC1)O CHEBI:19662 [0,1,0,1,0,0|1,0,0]=3 789 B6R1.2 C1CCC(C1)O CHEBI:16133 [0,1,0,1,0,0|1,0,0]=3 790 B6R1.2 CC1=CCCO1 CHEBI:51677 [0,1,0,1,0,0|1,0,1]=4 791 B6R1.2 CC1=COCC1 CHEBI:51678 [0,1,0,1,0,0|1,0,1]=4 792 B6R1.2 CC1=NCCO1 CHEBI:53614 [0,1,0,1,0,0|1,0,1]=4 793 B6R1.2 CC1COC=C1 CHEBI:51679 [0,1,0,1,0,0|1,0,0]=3 794 B6R1.2 C[C@@H]1CCCN1 CHEBI:78858 [0,1,0,1,0,0|2,0,0]=4 795 B6R1.2 C[C@@H]1CCC[NH2+]1 CHEBI:78222 [0,1,0,1,0,0|2,0,0]=4 796 B6R1.2 C[C@@H]1COC=C1 CHEBI:51680 [0,1,0,1,0,0|1,0,0]=3 797 B6R1.9 C1(C(O1)(Cl)Cl)Cl CHEBI:28888 [0,1,0,1,0,0|2,0,0]=4 798 B6R1.11 C1CC1C(=O)O CHEBI:23500 [0,1,0,1,0,0|1,0,1]=4 799 B6R1.7 C[C@]1(CO1)C=C CHEBI:131720 [0,1,0,1,0,0|1,0,0]=3 800 B6R2.4 C1CC2C1C2 CHEBI:49287 [0,0,0,2,0,0|2,0,0]=4 801 B6R2.4 C1C[C@@H]2[C@H]1C2 CHEBI:49288 [0,0,0,2,0,0|2,0,0]=4