0 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C(C(C=O)O)O CHEBI:15693 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 C(C(C=O)O)O CHEBI:5445 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 C(C(CBr)Br)Br CHEBI:18859 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C(C(CBr)O)O CHEBI:18719 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 C(C(CCl)O)Cl CHEBI:18917 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 C(C(CCl)O)O CHEBI:18721 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 C(C(CO)O)O CHEBI:17522 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 C(C(CO)O)O CHEBI:17754 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 C(C(CS)O)O CHEBI:74537 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 C(C(CS)S)O CHEBI:64198 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 C([C@@H](C=O)O)O CHEBI:27975 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 C([C@H](C=O)O)O CHEBI:17378 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 C([C@H](CCl)O)O CHEBI:18663 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 C([C@H](CS)O)O CHEBI:45619 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 CCC(=O)CC CHEBI:87755 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 CCC(C)C#N CHEBI:61669 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.3 CCC(C)C=O CHEBI:16182 [0,0,0,0,0,0|0,0,0]=0 18 B5R0.3 CCC(C)CO CHEBI:48945 [0,0,0,0,0,0|0,0,2]=2 19 B5R0.3 CCC(C)NC CHEBI:84267 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 CCC(CC)N CHEBI:84248 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.3 CCC(CC)O CHEBI:77519 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.3 CCC(CO)O CHEBI:52682 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [0,0,0,0,0,0|0,0,2]=2 25 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.3 CC[C@H](C)CO CHEBI:50625 [0,0,0,0,0,0|0,0,2]=2 27 B5R0.3 CC[C@H](CO)O CHEBI:52685 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.3 C\C(=N\O)\SC CHEBI:38534 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.1 C(=O)C(=O)N CHEBI:59839 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C(=O)C(=O)O CHEBI:16891 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C(=O)C(=O)[O-] CHEBI:36655 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C(=O)C(=O)[O-] CHEBI:91251 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C(C(=O)N)F CHEBI:53124 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C(C(=O)N)N CHEBI:42843 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C(C(=O)N)O CHEBI:30321 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C(C(=O)O)F CHEBI:30775 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 C(C(=O)O)I CHEBI:74571 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 C(C(=O)O)N CHEBI:15428 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 C(C(=O)O)O CHEBI:17497 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 C(C(=O)O)S CHEBI:30065 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 C(C(=O)S)N CHEBI:46799 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 C(C(=O)[O-])Cl CHEBI:23123 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 C(C(=O)[O-])F CHEBI:18172 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 C(C(=O)[O-])F CHEBI:38699 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 C(C(=O)[O-])N CHEBI:32508 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 C(C(=O)[O-])[NH3+] CHEBI:57305 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 C(C(=O)[O-])[S-] CHEBI:47869 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 C(C(Cl)Cl)Cl CHEBI:36018 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 C=C(CO)Br CHEBI:49514 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CC(=C)C=C CHEBI:35194 [1,0,0,0,0,0|0,0,3]=4 57 B4R0.1 CC(=NO)C CHEBI:15349 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 CC(=O)C#C CHEBI:48060 [1,0,0,0,0,0|0,0,3]=4 59 B4R0.1 CC(=O)C=C CHEBI:48058 [1,0,0,0,0,0|0,0,3]=4 60 B4R0.1 CC(=O)C=O CHEBI:17158 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 CC(=O)CBr CHEBI:51845 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 CC(=O)CCl CHEBI:47220 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 CC(=O)CN CHEBI:17906 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 CC(=O)CO CHEBI:27957 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 CC(=O)NC CHEBI:87321 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 CC(=O)NN CHEBI:2422 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 CC(=O)NO CHEBI:27777 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CC(=O)OC CHEBI:77700 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.1 CC(=O)O[Hg+] CHEBI:49727 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 CC(=O)SC CHEBI:51280 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 CC(=S)OC CHEBI:51281 [1,0,0,0,0,0|1,1,1]=4 73 B4R0.1 CC(C#N)N CHEBI:27959 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 CC(C)C#C CHEBI:87379 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 CC(C)C=C CHEBI:77914 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.1 CC(C)C=O CHEBI:48943 [1,0,0,0,0,0|0,0,0]=1 77 B4R0.1 CC(C)CN CHEBI:15997 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 CC(C)CO CHEBI:46645 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.1 CC(C)C[NH3+] CHEBI:57601 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 CC(C)OC CHEBI:53505 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.1 CC(C=O)O CHEBI:18419 [1,0,0,0,0,0|1,0,0]=2 82 B4R0.1 CC(CCl)O CHEBI:76260 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.1 CC(CN)N CHEBI:30630 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 CC(CN)O CHEBI:19030 [1,0,0,0,0,0|1,0,1]=3 85 B4R0.1 CC(CO)O CHEBI:16997 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 CC=C(C)C CHEBI:77916 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.1 CCC(=C)C CHEBI:77915 [1,0,0,0,0,0|0,0,1]=2 88 B4R0.1 CCC(=O)C CHEBI:28398 [1,0,0,0,0,0|0,0,1]=2 89 B4R0.1 CCC(=O)N CHEBI:45422 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 CCC(=O)O CHEBI:30768 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 CCC(=O)[O-] CHEBI:132106 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 CCC(=O)[O-] CHEBI:17272 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CCC(=O)[O-] CHEBI:63884 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CCC(=S)C CHEBI:36581 [1,0,0,0,0,0|0,1,1]=3 95 B4R0.1 CCC(C)C CHEBI:30362 [1,0,0,0,0,0|0,0,1]=2 96 B4R0.1 CCC(C)N CHEBI:74526 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.1 CCC(C)O CHEBI:35687 [1,0,0,0,0,0|0,0,1]=2 98 B4R0.1 CC[C@@H](C)O CHEBI:35686 [1,0,0,0,0,0|0,0,1]=2 99 B4R0.1 CC[C@H](C)O CHEBI:45475 [1,0,0,0,0,0|0,0,1]=2 100 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CN(C)C=O CHEBI:17741 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CN(C)N=O CHEBI:35807 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 CNC(=O)N CHEBI:44383 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 CNC(=O)O CHEBI:45379 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 COC(=O)N CHEBI:76606 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 C[C@@H](C#N)N CHEBI:50617 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 C[C@@H](C=O)O CHEBI:18041 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 C[C@@H](CO)N CHEBI:78502 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 C[C@@H](CO)O CHEBI:29002 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 C[C@@H](CO)[NH3+] CHEBI:85422 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 C[C@H](C#N)N CHEBI:50618 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.1 C[C@H](C=O)O CHEBI:17167 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.1 C[C@H](CN)O CHEBI:15675 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 C[C@H](CO)O CHEBI:28972 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 C[C@H](C[NH3+])O CHEBI:42677 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 [*]C(=O)CO CHEBI:52501 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.1 [*]SC(=O)C CHEBI:17093 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 [*][C@H](CO)O CHEBI:27636 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.2 C#CCC=O CHEBI:28180 [1,0,0,0,0,0|0,0,2]=3 120 B4R0.2 C#CCCO CHEBI:27444 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.2 C(=O)OC=O CHEBI:36657 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 C(C=O)C=O CHEBI:566274 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.2 C(CN)C#N CHEBI:27413 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.2 C(CN)C=O CHEBI:18090 [1,0,0,0,0,0|1,0,0]=2 125 B4R0.2 C(CN)C=O CHEBI:27390 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.2 C(CN)CN CHEBI:15725 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.2 C(CN)CN CHEBI:35411 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.2 C(CN)CS CHEBI:38933 [1,0,0,0,0,0|1,1,1]=4 129 B4R0.2 C(CO)C=O CHEBI:17871 [1,0,0,0,0,0|1,0,0]=2 130 B4R0.2 C(CO)CO CHEBI:16109 [1,0,0,0,0,0|1,0,2]=4 131 B4R0.2 C(CO)NN CHEBI:50098 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.2 C(CS)CS CHEBI:44864 [1,0,0,0,0,0|1,1,1]=4 133 B4R0.2 C(C[NH3+])C#N CHEBI:91086 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [1,0,0,0,0,0|1,0,0]=2 135 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:57484 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:70977 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.2 C(\C=C/Cl)Cl CHEBI:18809 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.2 C(\C=C/Cl)O CHEBI:28967 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.2 C(\C=C\Cl)Cl CHEBI:18624 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.2 C(\C=C\Cl)O CHEBI:23120 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 C(\C=C\Cl)O CHEBI:28960 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.2 CCCC#N CHEBI:51937 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.2 CCCC=O CHEBI:15743 [1,0,0,0,0,0|0,0,0]=1 144 B4R0.2 CCCCC CHEBI:37830 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.2 CCCCN CHEBI:43799 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.2 CCCCO CHEBI:28885 [1,0,0,0,0,0|0,0,2]=3 147 B4R0.2 CCCC[SnH3] CHEBI:22966 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.2 CCCSO CHEBI:91018 [1,0,0,0,0,0|1,0,1]=3 149 B4R0.2 CCN=C=O CHEBI:85107 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.2 CCN=C=S CHEBI:85098 [1,0,0,0,0,0|1,1,1]=4 151 B4R0.2 CCNCC CHEBI:85259 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 CCOC=O CHEBI:52342 [1,0,0,0,0,0|1,0,0]=2 153 B4R0.2 CCOCC CHEBI:35702 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 CCSCC CHEBI:27710 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.2 CCSCS CHEBI:38829 [1,0,0,0,0,0|1,1,1]=4 156 B4R0.2 CC[NH2+]CC CHEBI:132181 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 CC[Zn]CC CHEBI:51496 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.2 CNCCO CHEBI:21763 [1,0,0,0,0,0|1,0,2]=4 159 B4R0.2 COCCO CHEBI:46790 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.2 COCOC CHEBI:48341 [1,0,0,0,0,0|3,0,0]=4 161 B4R0.2 CSCCO CHEBI:63861 [1,0,0,0,0,0|1,0,2]=4 162 B4R0.2 C\C=C\C=C CHEBI:74165 [1,0,0,0,0,0|1,0,2]=4 163 B4R0.2 C\C=C\C=O CHEBI:41607 [1,0,0,0,0,0|0,0,2]=3 164 B4R0.2 C\C=C\CO CHEBI:62891 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.2 [*]C#CC=O CHEBI:51720 [1,0,0,0,0,0|1,0,2]=4 166 B4R0.2 [*]CCC=O CHEBI:84587 [1,0,0,0,0,0|1,0,0]=2 167 B4R0.2 [Li]CCCC CHEBI:51469 [1,0,0,0,0,0|1,0,1]=3 168 B6R0.1 C(CO)C(CO)O CHEBI:88063 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.1 CC(C[197Hg]Cl)OC CHEBI:59455 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.1 CCC(C)CCO CHEBI:87381 [0,1,0,0,0,0|0,0,2]=3 171 B6R0.1 CCC(C)\C=N/O CHEBI:61136 [0,1,0,0,0,0|0,0,1]=2 172 B6R0.1 CCC(C)\C=N\O CHEBI:61134 [0,1,0,0,0,0|0,0,1]=2 173 B6R0.1 CCC(C)\C=N\O CHEBI:61135 [0,1,0,0,0,0|0,0,1]=2 174 B6R0.1 CCCC(C#N)N CHEBI:77400 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.1 CCOC(=O)C=O CHEBI:53275 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.1 C\C(=C\C=O)\CO CHEBI:133364 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.1 C\C=N\N(C)C=O CHEBI:5583 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.3 C(=O)C(C(=O)O)N CHEBI:17740 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.3 C(=O)C(C(=O)O)O CHEBI:16992 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.3 C(=O)C(C(=O)[O-])O CHEBI:57978 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.3 C(=O)[C@@H](C(=O)O)N CHEBI:37012 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.3 C(=O)[C@@H](C(=O)[O-])N CHEBI:58671 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.3 C(=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:77662 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.3 C(C(=O)C(=O)O)Br CHEBI:131461 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 C(C(=O)C(=O)O)F CHEBI:55521 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.3 C(C(=O)C(=O)O)O CHEBI:30841 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.3 C(C(=O)C(=O)O)S CHEBI:16208 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.3 C(C(=O)C(=O)[O-])Br CHEBI:131592 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.3 C(C(=O)C(=O)[O-])F CHEBI:55522 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.3 C(C(=O)C(=O)[O-])O CHEBI:17180 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.3 C(C(=O)C(=O)[O-])S CHEBI:57678 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,1,0,0,0,0|2,0,0]=3 198 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.3 C(C(C(=O)[O-])N)N CHEBI:49983 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.3 C(C(C(=O)[O-])N)S CHEBI:32456 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.3 C(C(C(=O)[O-])N)[NH3+] CHEBI:58468 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.3 C(C(C(=O)[O-])N)[S-] CHEBI:32457 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.3 C(C(C(=O)[O-])N)[Se-] CHEBI:32753 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.3 C(C(C(=O)[O-])N)[SeH] CHEBI:32752 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [0,1,0,0,0,0|2,0,0]=3 211 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [0,1,0,0,0,0|2,0,0]=3 213 B6R0.3 C(C(C(=O)[O-])[NH3+])S CHEBI:35237 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,1,0,0,0,0|2,0,0]=3 217 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,1,0,0,0,0|2,0,0]=3 221 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,1,0,0,0,0|2,0,0]=3 222 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [0,1,0,0,0,0|2,0,0]=3 223 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [0,1,0,0,0,0|2,0,0]=3 226 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [0,1,0,0,0,0|2,0,0]=3 227 B6R0.3 C([C@@H](C(=O)[O-])N)N CHEBI:13043 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.3 C([C@@H](C(=O)[O-])N)S CHEBI:32442 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.3 C([C@@H](C(=O)[O-])N)[NH3+] CHEBI:57721 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.3 C([C@@H](C(=O)[O-])N)[S-] CHEBI:32443 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.3 C([C@@H](C(=O)[O-])N)[Se-] CHEBI:32743 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.3 C([C@@H](C(=O)[O-])N)[SeH] CHEBI:32742 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])Cl CHEBI:58132 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CHEBI:35235 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:84374 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[SeH] CHEBI:57843 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,1,0,0,0,0|2,0,0]=3 241 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.3 C([C@H](C(=O)[O-])N)S CHEBI:32449 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.3 C([C@H](C(=O)[O-])N)[S-] CHEBI:32450 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.3 C([C@H](C(=O)[O-])N)[Se-] CHEBI:32750 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.3 C([C@H](C(=O)[O-])N)[SeH] CHEBI:32747 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.3 C([C@H](C(=O)[O-])O)F CHEBI:55533 [0,1,0,0,0,0|2,0,0]=3 255 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.3 C([C@H](C(=O)[O-])[NH3+])Cl CHEBI:47291 [0,1,0,0,0,0|2,0,0]=3 257 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [0,1,0,0,0,0|2,0,0]=3 258 B6R0.3 C([C@H](C(=O)[O-])[NH3+])S CHEBI:35236 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.3 CC(=O)C(=O)OC CHEBI:51850 [0,1,0,0,0,0|2,0,1]=4 260 B6R0.3 CC(C#N)C(=O)C CHEBI:87599 [0,1,0,0,0,0|1,0,1]=3 261 B6R0.3 CC(C(CO)O)O CHEBI:131388 [0,1,0,0,0,0|1,0,2]=4 262 B6R0.3 CC(C)C(CO)O CHEBI:65058 [0,1,0,0,0,0|1,0,2]=4 263 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.3 CC(C=O)C(=O)[O-] CHEBI:57700 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.3 CC(CN)C(=O)[O-] CHEBI:49096 [0,1,0,0,0,0|1,0,0]=2 267 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [0,1,0,0,0,0|1,0,0]=2 268 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.3 CCC(=C)C(=O)O CHEBI:84978 [0,1,0,0,0,0|0,0,2]=3 270 B6R0.3 CCC(=C)C(=O)[O-] CHEBI:84979 [0,1,0,0,0,0|0,0,2]=3 271 B6R0.3 CCC(=N)C(=O)O CHEBI:76872 [0,1,0,0,0,0|1,0,1]=3 272 B6R0.3 CCC(=O)C(=O)C CHEBI:52774 [0,1,0,0,0,0|1,0,1]=3 273 B6R0.3 CCC(=O)C(=O)O CHEBI:30831 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.3 CCC(=O)C(=O)[O-] CHEBI:16763 [0,1,0,0,0,0|1,0,1]=3 275 B6R0.3 CCC(=[NH2+])C(=O)[O-] CHEBI:76545 [0,1,0,0,0,0|1,0,1]=3 276 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [0,1,0,0,0,0|1,0,0]=2 278 B6R0.3 CCC(C(=O)[O-])N CHEBI:86508 [0,1,0,0,0,0|1,0,0]=2 279 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [0,1,0,0,0,0|1,0,0]=2 280 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [0,1,0,0,0,0|0,0,0]=1 281 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [0,1,0,0,0,0|0,0,0]=1 282 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [0,1,0,0,0,0|0,0,0]=1 283 B6R0.3 CCC(C)C(C)O CHEBI:77520 [0,1,0,0,0,0|0,0,2]=3 284 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,1,0,0,0,0|1,0,0]=2 285 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [0,1,0,0,0,0|1,0,0]=2 286 B6R0.3 CC[C@@H](C(=O)[O-])N CHEBI:28340 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [0,1,0,0,0,0|1,0,0]=2 288 B6R0.3 CC[C@@H](C(=O)[O-])[NH3+] CHEBI:74359 [0,1,0,0,0,0|1,0,0]=2 289 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [0,1,0,0,0,0|0,0,0]=1 290 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,1,0,0,0,0|1,0,0]=2 291 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [0,1,0,0,0,0|0,0,0]=1 293 B6R0.3 CN(C(=O)N)N=O CHEBI:50102 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.3 C[C@@H](C(=O)[O-])[NH2+]C CHEBI:58175 [0,1,0,0,0,0|1,0,0]=2 296 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [0,1,0,0,0,0|1,0,1]=3 297 B6R0.3 C[C@@H](C=O)C(=O)[O-] CHEBI:62413 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [0,1,0,0,0,0|1,0,0]=2 299 B6R0.3 C[C@@H](CN)C(=O)[O-] CHEBI:18188 [0,1,0,0,0,0|1,0,0]=2 300 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [0,1,0,0,0,0|1,0,0]=2 302 B6R0.3 C[C@@H](C[NH3+])C(=O)[O-] CHEBI:58655 [0,1,0,0,0,0|1,0,0]=2 303 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [0,1,0,0,0,0|1,0,0]=2 304 B6R0.3 C[C@H](CN)C(=O)[O-] CHEBI:49097 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.3 C[C@H](C[NH3+])C(=O)[O-] CHEBI:57731 [0,1,0,0,0,0|1,0,0]=2 306 B6R0.3 C\C(=N\O)\C(=O)O CHEBI:15730 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.3 C\C(=N\O)\C(=O)[O-] CHEBI:57487 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:36432 [0,1,0,0,0,0|0,0,2]=3 309 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:9592 [0,1,0,0,0,0|0,0,2]=3 310 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [0,1,0,0,0,0|1,0,2]=4 312 B6R0.3 C\C=C(\C(=O)[O-])/N CHEBI:58739 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.3 C\C=C(\C(=O)[O-])/[NH3+] CHEBI:48306 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.3 C\C=C(\C)/C(=O)O CHEBI:36431 [0,1,0,0,0,0|0,0,2]=3 315 B6R0.8 CC(CO)(CO)N CHEBI:991 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.8 CCC(C)(C#N)O CHEBI:60954 [0,1,0,0,0,0|1,0,1]=3 317 B6R0.8 CCC(C)(CO)O CHEBI:131357 [0,1,0,0,0,0|0,0,2]=3 318 B6R0.8 CC[C@](C)(C#N)O CHEBI:60908 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.9 B(C=C)(OC)OC CHEBI:50984 [0,1,0,0,0,0|3,0,0]=4 320 B6R0.9 CCN(CC)CC CHEBI:35026 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.9 CCN(CC)N=O CHEBI:34873 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.9 CCP(CC)CC CHEBI:39971 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.9 CC[NH+](CC)CC CHEBI:45791 [0,1,0,0,0,0|2,0,1]=4 324 B6R1.2 C1CC(OC1)O CHEBI:19662 [0,0,0,1,0,0|3,0,0]=4 325 B6R1.2 C1CCC(C1)O CHEBI:16133 [0,0,0,1,0,0|2,0,1]=4 326 B6R1.2 CC1=CCCO1 CHEBI:51677 [0,0,0,1,0,0|2,0,1]=4 327 B6R1.2 CC1=COCC1 CHEBI:51678 [0,0,0,1,0,0|0,0,2]=3 328 B6R1.2 CC1=NCCC1 CHEBI:78856 [0,0,0,1,0,0|2,0,1]=4 329 B6R1.2 CC1=[NH+]CCC1 CHEBI:78220 [0,0,0,1,0,0|2,0,1]=4 330 B6R1.2 CC1COC=C1 CHEBI:51679 [0,0,0,1,0,0|2,0,0]=3 331 B6R1.2 C[C@@H]1CCCN1 CHEBI:78858 [0,0,0,1,0,0|2,0,0]=3 332 B6R1.2 C[C@@H]1CCC[NH2+]1 CHEBI:78222 [0,0,0,1,0,0|2,0,0]=3 333 B6R1.2 C[C@@H]1COC=C1 CHEBI:51680 [0,0,0,1,0,0|2,0,0]=3 334 B6R1.2 C[N+]1=CCCC1 CHEBI:27435 [0,0,0,1,0,0|2,0,0]=3 335 B6R1.7 C[C@]1(CO1)C=C CHEBI:131720 [0,0,0,1,0,0|2,0,0]=3 336 B3R0.1 C#CC=O CHEBI:27976 [2,0,0,0,0,0|0,0,2]=4 337 B3R0.1 C(=O)C=O CHEBI:34779 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.1 C(C=O)Cl CHEBI:27871 [2,0,0,0,0,0|1,0,0]=3 339 B3R0.1 C(C=O)F CHEBI:14272 [2,0,0,0,0,0|1,0,0]=3 340 B3R0.1 C(C=O)N CHEBI:17628 [2,0,0,0,0,0|1,0,0]=3 341 B3R0.1 C(C=O)O CHEBI:17071 [2,0,0,0,0,0|1,0,0]=3 342 B3R0.1 C(C=O)[NH3+] CHEBI:58213 [2,0,0,0,0,0|1,0,0]=3 343 B3R0.1 C(CBr)Br CHEBI:28534 [2,0,0,0,0,0|2,0,0]=4 344 B3R0.1 C(CBr)Cl CHEBI:19032 [2,0,0,0,0,0|2,0,0]=4 345 B3R0.1 C(CCl)Cl CHEBI:27789 [2,0,0,0,0,0|2,0,0]=4 346 B3R0.1 C(CCl)O CHEBI:28200 [2,0,0,0,0,0|1,0,1]=4 347 B3R0.1 C(CN)N CHEBI:30346 [2,0,0,0,0,0|2,0,0]=4 348 B3R0.1 C(CN)N CHEBI:30347 [2,0,0,0,0,0|2,0,0]=4 349 B3R0.1 C(CN)N CHEBI:53626 [2,0,0,0,0,0|2,0,0]=4 350 B3R0.1 C(CO)N CHEBI:16000 [2,0,0,0,0,0|1,0,1]=4 351 B3R0.1 C(CO)O CHEBI:30742 [2,0,0,0,0,0|1,0,1]=4 352 B3R0.1 C(CO)[NH3+] CHEBI:57603 [2,0,0,0,0,0|1,0,1]=4 353 B3R0.1 C(CO)[NH3+] CHEBI:63878 [2,0,0,0,0,0|1,0,1]=4 354 B3R0.1 C(CS)N CHEBI:17141 [2,0,0,0,0,0|1,1,0]=4 355 B3R0.1 C(CS)O CHEBI:41218 [2,0,0,0,0,0|1,0,1]=4 356 B3R0.1 C(CS)[NH3+] CHEBI:58029 [2,0,0,0,0,0|1,1,0]=4 357 B3R0.1 C=CC=O CHEBI:15368 [2,0,0,0,0,0|0,0,2]=4 358 B3R0.1 C=CCO CHEBI:16605 [2,0,0,0,0,0|1,0,1]=4 359 B3R0.1 CC=C=C CHEBI:39480 [2,0,0,0,0,0|0,0,2]=4 360 B3R0.1 CCC#C CHEBI:48087 [2,0,0,0,0,0|0,0,2]=4 361 B3R0.1 CCC#N CHEBI:26307 [2,0,0,0,0,0|1,0,1]=4 362 B3R0.1 CCC=C CHEBI:48362 [2,0,0,0,0,0|0,0,1]=3 363 B3R0.1 CCC=O CHEBI:17153 [2,0,0,0,0,0|0,0,0]=2 364 B3R0.1 CCCBr CHEBI:47105 [2,0,0,0,0,0|1,0,0]=3 365 B3R0.1 CCCC CHEBI:37808 [2,0,0,0,0,0|0,0,0]=2 366 B3R0.1 CCCN CHEBI:39870 [2,0,0,0,0,0|1,0,0]=3 367 B3R0.1 CCCO CHEBI:28831 [2,0,0,0,0,0|0,0,1]=3 368 B3R0.1 CCCP CHEBI:35891 [2,0,0,0,0,0|1,0,0]=3 369 B3R0.1 CCCS CHEBI:8473 [2,0,0,0,0,0|0,1,0]=3 370 B3R0.1 CCC[NH3+] CHEBI:566825 [2,0,0,0,0,0|1,0,0]=3 371 B3R0.1 CCN=O CHEBI:50722 [2,0,0,0,0,0|1,0,0]=3 372 B3R0.1 CCOC CHEBI:39832 [2,0,0,0,0,0|1,0,0]=3 373 B3R0.1 CC[Mg]Cl CHEBI:51239 [2,0,0,0,0,0|2,0,0]=4 374 B3R0.1 CN=C=O CHEBI:59059 [2,0,0,0,0,0|1,0,1]=4 375 B3R0.1 CNC=O CHEBI:7438 [2,0,0,0,0,0|1,0,0]=3 376 B3R0.1 CNNC CHEBI:73755 [2,0,0,0,0,0|2,0,0]=4 377 B3R0.1 CNNC CHEBI:73759 [2,0,0,0,0,0|2,0,0]=4 378 B3R0.1 COC=O CHEBI:77699 [2,0,0,0,0,0|1,0,0]=3 379 B3R0.1 COCO CHEBI:46791 [2,0,0,0,0,0|1,0,1]=4 380 B3R0.1 COOC CHEBI:35928 [2,0,0,0,0,0|2,0,0]=4 381 B3R0.1 CSSC CHEBI:4608 [2,0,0,0,0,0|2,0,0]=4 382 B3R0.1 C[NH2+][NH2+]C CHEBI:73760 [2,0,0,0,0,0|2,0,0]=4 383 B3R0.1 C[Te][Te]C CHEBI:68648 [2,0,0,0,0,0|2,0,0]=4 384 B3R0.1 C\C=C/C CHEBI:48366 [2,0,0,0,0,0|0,0,2]=4 385 B3R0.1 C\C=C\C CHEBI:48363 [2,0,0,0,0,0|0,0,2]=4 386 B3R0.1 C\C=C\C CHEBI:48365 [2,0,0,0,0,0|0,0,2]=4 387 B3R0.1 C\C=C\S CHEBI:59723 [2,0,0,0,0,0|0,1,1]=4 388 B3R0.2 B(C)(C)O CHEBI:38276 [2,0,0,0,0,0|1,0,1]=4 389 B3R0.2 CC(=C)C CHEBI:43907 [2,0,0,0,0,0|0,0,1]=3 390 B3R0.2 CC(=O)C CHEBI:15347 [2,0,0,0,0,0|0,0,1]=3 391 B3R0.2 CC(=O)Cl CHEBI:37580 [2,0,0,0,0,0|1,0,1]=4 392 B3R0.2 CC(=O)N CHEBI:27856 [2,0,0,0,0,0|1,0,1]=4 393 B3R0.2 CC(=O)O CHEBI:132481 [2,0,0,0,0,0|1,0,1]=4 394 B3R0.2 CC(=O)O CHEBI:15366 [2,0,0,0,0,0|1,0,1]=4 395 B3R0.2 CC(=O)S CHEBI:16555 [2,0,0,0,0,0|1,0,1]=4 396 B3R0.2 CC(=O)[O-] CHEBI:30089 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.2 CC(=O)[O-] CHEBI:32029 [2,0,0,0,0,0|1,0,1]=4 398 B3R0.2 CC(=O)[O-] CHEBI:32138 [2,0,0,0,0,0|1,0,1]=4 399 B3R0.2 CC(=O)[O-] CHEBI:32954 [2,0,0,0,0,0|1,0,1]=4 400 B3R0.2 CC(=O)[O-] CHEBI:3310 [2,0,0,0,0,0|1,0,1]=4 401 B3R0.2 CC(=O)[O-] CHEBI:59199 [2,0,0,0,0,0|1,0,1]=4 402 B3R0.2 CC(=O)[O-] CHEBI:62947 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.2 CC(=O)[O-] CHEBI:62964 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.2 CC(=O)[O-] CHEBI:62984 [2,0,0,0,0,0|1,0,1]=4 405 B3R0.2 CC(=O)[O-] CHEBI:63045 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.2 CC(=O)[O-] CHEBI:63078 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.2 CC(=O)[O-] CHEBI:63879 [2,0,0,0,0,0|1,0,1]=4 408 B3R0.2 CC(=O)[O-] CHEBI:75192 [2,0,0,0,0,0|1,0,1]=4 409 B3R0.2 CC(=O)[O-] CHEBI:85138 [2,0,0,0,0,0|1,0,1]=4 410 B3R0.2 CC(=O)[S-] CHEBI:30320 [2,0,0,0,0,0|1,0,1]=4 411 B3R0.2 CC(=S)C CHEBI:36580 [2,0,0,0,0,0|0,1,1]=4 412 B3R0.2 CC(C)C CHEBI:30363 [2,0,0,0,0,0|0,0,1]=3 413 B3R0.2 CC(C)N CHEBI:15739 [2,0,0,0,0,0|1,0,0]=3 414 B3R0.2 CC(C)O CHEBI:17824 [2,0,0,0,0,0|0,0,1]=3 415 B3R0.2 CC(C)S CHEBI:8474 [2,0,0,0,0,0|0,1,0]=3 416 B3R0.2 CC(C)[NH3+] CHEBI:57492 [2,0,0,0,0,0|1,0,0]=3 417 B3R0.2 CN(C)C CHEBI:18139 [2,0,0,0,0,0|1,0,1]=4 418 B3R0.2 CN(C)C CHEBI:64700 [2,0,0,0,0,0|1,0,1]=4 419 B3R0.2 CN(C)N CHEBI:18853 [2,0,0,0,0,0|2,0,0]=4 420 B3R0.2 CP(C)C CHEBI:35890 [2,0,0,0,0,0|1,0,1]=4 421 B3R0.2 CS(=O)C CHEBI:28262 [2,0,0,0,0,0|1,0,0]=3 422 B3R0.2 CS(=O)O CHEBI:133897 [2,0,0,0,0,0|2,0,0]=4 423 B3R0.2 CS(=O)[O-] CHEBI:133603 [2,0,0,0,0,0|2,0,0]=4 424 B3R0.2 C[As](C)C CHEBI:27130 [2,0,0,0,0,0|1,0,1]=4 425 B3R0.2 C[As](C)O CHEBI:23808 [2,0,0,0,0,0|1,0,1]=4 426 B3R0.2 C[N+](=O)[O-] CHEBI:77701 [2,0,0,0,0,0|2,0,0]=4 427 B3R0.2 C[NH+](C)C CHEBI:58389 [2,0,0,0,0,0|1,0,1]=4 428 B3R0.2 C[S+](C)C CHEBI:17434 [2,0,0,0,0,0|1,0,1]=4 429 B3R0.2 C[Se+](C)C CHEBI:77058 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.2 C[Se](=O)O CHEBI:77012 [2,0,0,0,0,0|2,0,0]=4 431 B3R0.2 C[SnH](C)C CHEBI:63948 [2,0,0,0,0,0|1,0,1]=4 432 B3R0.2 [Li]C(=C)C CHEBI:51485 [2,0,0,0,0,0|1,0,1]=4 433 B5R0.1 C(CN)C(=O)N CHEBI:55360 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.1 C(CN)C(=O)O CHEBI:16958 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.1 C(CO)C(=O)O CHEBI:33404 [1,1,0,0,0,0|1,0,1]=4 437 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.1 C(CS(=O)O)N CHEBI:16668 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.1 C(CS(=O)[O-])[NH3+] CHEBI:57853 [1,1,0,0,0,0|2,0,0]=4 440 B5R0.1 C(CS)C(=O)O CHEBI:44111 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.1 CC(=C)CCO CHEBI:62898 [1,1,0,0,0,0|0,0,1]=3 445 B5R0.1 CC(=CC=O)C CHEBI:15825 [1,1,0,0,0,0|0,0,1]=3 446 B5R0.1 CC(=CCO)C CHEBI:16019 [1,1,0,0,0,0|0,0,2]=4 447 B5R0.1 CC(=O)CC=C CHEBI:87508 [1,1,0,0,0,0|0,0,2]=4 448 B5R0.1 CC(=O)CCO CHEBI:41268 [1,1,0,0,0,0|0,0,1]=3 449 B5R0.1 CC(C)CC=O CHEBI:16638 [1,1,0,0,0,0|0,0,0]=2 450 B5R0.1 CC(C)CCN CHEBI:43689 [1,1,0,0,0,0|0,0,1]=3 451 B5R0.1 CC(C)CCO CHEBI:15837 [1,1,0,0,0,0|0,0,1]=3 452 B5R0.1 CC(C)CNO CHEBI:131928 [1,1,0,0,0,0|0,0,2]=4 453 B5R0.1 CC(C)\C=C\O CHEBI:77922 [1,1,0,0,0,0|0,0,1]=3 454 B5R0.1 CC(C)\C=N/O CHEBI:61144 [1,1,0,0,0,0|0,0,1]=3 455 B5R0.1 CC(C)\C=N\O CHEBI:17502 [1,1,0,0,0,0|0,0,1]=3 456 B5R0.1 CC(C)\C=N\O CHEBI:61143 [1,1,0,0,0,0|0,0,1]=3 457 B5R0.1 CC(CCO)O CHEBI:52683 [1,1,0,0,0,0|0,0,1]=3 458 B5R0.1 CC=CC(=O)C CHEBI:89540 [1,1,0,0,0,0|0,0,2]=4 459 B5R0.1 CCCC(=O)C CHEBI:16472 [1,1,0,0,0,0|0,0,1]=3 460 B5R0.1 CCCC(=O)N CHEBI:50724 [1,1,0,0,0,0|1,0,1]=4 461 B5R0.1 CCCC(=O)O CHEBI:30772 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.1 CCCC(C)O CHEBI:77518 [1,1,0,0,0,0|0,0,1]=3 465 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [1,1,0,0,0,0|2,0,0]=4 466 B5R0.1 CCNC(=O)C CHEBI:87370 [1,1,0,0,0,0|0,0,1]=3 467 B5R0.1 CCOC(=O)C CHEBI:27750 [1,1,0,0,0,0|0,0,1]=3 468 B5R0.1 CCOC(=O)N CHEBI:17967 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.1 CCOC(=O)O CHEBI:50849 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.1 CCOP(=O)O CHEBI:40926 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.1 CCOP(=O)[O-] CHEBI:84033 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.1 CN(C)CCCl CHEBI:78153 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.1 CN(C)CCCl CHEBI:78155 [1,1,0,0,0,0|1,0,1]=4 474 B5R0.1 CN(C)CCO CHEBI:271436 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.1 CNCC(=O)O CHEBI:15611 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.1 COCC(=O)O CHEBI:132098 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.1 COCC(=O)[O-] CHEBI:132096 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.1 COCC(=O)[O-] CHEBI:132097 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.1 CSCC(=O)O CHEBI:47870 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [1,1,0,0,0,0|0,0,1]=3 483 B5R0.1 C[C@H](CCO)O CHEBI:52687 [1,1,0,0,0,0|0,0,1]=3 484 B5R0.1 C[NH+](C)CCCl CHEBI:78154 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.1 C[S+](C)CCO CHEBI:63035 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.1 [*]C(=O)OCC CHEBI:13209 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.1 [Li]C(=C)OCC CHEBI:59557 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.4 C(=O)C(Cl)(Cl)Cl CHEBI:48814 [1,1,0,0,0,0|2,0,0]=4 491 B5R0.4 CC(C)(C#N)O CHEBI:15348 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.4 CC(C)(C)OC CHEBI:27642 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.4 CC(C)(C)OO CHEBI:64090 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.4 CC(C)(C=C)O CHEBI:132752 [1,1,0,0,0,0|1,0,0]=3 495 B5R0.4 CC(C)(C=O)O CHEBI:131846 [1,1,0,0,0,0|0,0,0]=2 496 B5R0.4 CC(C)(CO)O CHEBI:131845 [1,1,0,0,0,0|0,0,2]=4 497 B5R0.4 CCC(C)(C)N CHEBI:84236 [1,1,0,0,0,0|0,0,1]=3 498 B5R0.4 CCC(C)(C)O CHEBI:132750 [1,1,0,0,0,0|0,0,1]=3 499 B5R0.4 CCS(=O)(=O)O CHEBI:42465 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.4 CCS(=O)(=O)[O-] CHEBI:61909 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.4 CC[N+](C)(C)C CHEBI:271685 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.4 CC[N+](C)(C)C CHEBI:55320 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.4 CC[Si](C)(C)C CHEBI:48788 [1,1,0,0,0,0|0,1,1]=4 504 B5R0.4 COS(=O)(=O)C CHEBI:25255 [1,1,0,0,0,0|2,0,0]=4 505 B5R0.4 CSS(=O)(=O)C CHEBI:74357 [1,1,0,0,0,0|2,0,0]=4 506 B5R0.4 C[Si](C=O)(O)O CHEBI:24096 [1,1,0,0,0,0|1,1,0]=4 507 B5R0.4 [*]C([*])([*])C=O CHEBI:60379 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.5 C(C(=O)Cl)(Cl)Cl CHEBI:34688 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.5 C(C(=O)O)(Br)Br CHEBI:90124 [1,1,0,0,0,0|2,0,0]=4 510 B5R0.5 C(C(=O)O)(Cl)Br CHEBI:64206 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.5 C(C(=O)O)(Cl)Cl CHEBI:36386 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.5 C(C(=O)O)(F)F CHEBI:23716 [1,1,0,0,0,0|2,0,0]=4 513 B5R0.5 C(C(=O)O)(N)O CHEBI:38048 [1,1,0,0,0,0|2,0,0]=4 514 B5R0.5 C(C(=O)[O-])(Cl)Cl CHEBI:28240 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.5 C(C(=O)[O-])(F)F CHEBI:23715 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.5 CC(=C)C(=O)N CHEBI:51759 [1,1,0,0,0,0|0,0,2]=4 517 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [1,1,0,0,0,0|0,0,2]=4 518 B5R0.5 CC(=C)C(=O)[O-] CHEBI:25218 [1,1,0,0,0,0|0,0,2]=4 519 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.5 CC(=N)C(=O)[O-] CHEBI:77456 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.5 CC(=O)C(=O)C CHEBI:16583 [1,1,0,0,0,0|0,0,2]=4 522 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.5 CC(=O)C(=O)[O-] CHEBI:15361 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.5 CC(=O)C(=O)[O-] CHEBI:50144 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.5 CC(=O)N(C)C CHEBI:84254 [1,1,0,0,0,0|1,0,0]=3 526 B5R0.5 CC(=[NH2+])C(=O)[O-] CHEBI:44400 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.5 CC(C(=O)C)O CHEBI:15688 [1,1,0,0,0,0|0,0,1]=3 528 B5R0.5 CC(C(=O)N)O CHEBI:75144 [1,1,0,0,0,0|1,0,0]=3 529 B5R0.5 CC(C(=O)O)N CHEBI:16449 [1,1,0,0,0,0|1,0,0]=3 530 B5R0.5 CC(C(=O)O)O CHEBI:78320 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.5 CC(C(=O)O)S CHEBI:47872 [1,1,0,0,0,0|1,0,0]=3 532 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [1,1,0,0,0,0|1,0,0]=3 533 B5R0.5 CC(C(=O)[O-])N CHEBI:32439 [1,1,0,0,0,0|1,0,0]=3 534 B5R0.5 CC(C(=O)[O-])O CHEBI:24996 [1,1,0,0,0,0|1,0,0]=3 535 B5R0.5 CC(C(=O)[O-])O CHEBI:75228 [1,1,0,0,0,0|1,0,0]=3 536 B5R0.5 CC(C(=O)[O-])[NH3+] CHEBI:66916 [1,1,0,0,0,0|1,0,0]=3 537 B5R0.5 CC(C(C)O)O CHEBI:62064 [1,1,0,0,0,0|0,0,1]=3 538 B5R0.5 CC(C)C(=O)O CHEBI:16135 [1,1,0,0,0,0|0,0,0]=2 539 B5R0.5 CC(C)C(=O)[O-] CHEBI:48944 [1,1,0,0,0,0|0,0,0]=2 540 B5R0.5 CC(C)C(C)O CHEBI:77517 [1,1,0,0,0,0|0,0,1]=3 541 B5R0.5 CC(C)[N+](=O)[O-] CHEBI:16037 [1,1,0,0,0,0|1,0,0]=3 542 B5R0.5 CN(C)C(=O)O CHEBI:38544 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.5 CN(C)C(=S)S CHEBI:83061 [1,1,0,0,0,0|1,1,0]=4 544 B5R0.5 CN(C)C(=S)[S-] CHEBI:84293 [1,1,0,0,0,0|1,1,0]=4 545 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [1,1,0,0,0,0|0,0,1]=3 546 B5R0.5 C[C@@H](C(=O)N)N CHEBI:21217 [1,1,0,0,0,0|1,0,0]=3 547 B5R0.5 C[C@@H](C(=O)N)[NH3+] CHEBI:74169 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [1,1,0,0,0,0|1,0,0]=3 549 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [1,1,0,0,0,0|1,0,0]=3 550 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [1,1,0,0,0,0|1,0,0]=3 551 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [1,1,0,0,0,0|1,0,0]=3 552 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [1,1,0,0,0,0|1,0,0]=3 553 B5R0.5 C[C@@H](C(=O)[O-])Cl CHEBI:73934 [1,1,0,0,0,0|1,0,0]=3 554 B5R0.5 C[C@@H](C(=O)[O-])N CHEBI:32431 [1,1,0,0,0,0|1,0,0]=3 555 B5R0.5 C[C@@H](C(=O)[O-])O CHEBI:16651 [1,1,0,0,0,0|1,0,0]=3 556 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] CHEBI:57972 [1,1,0,0,0,0|1,0,0]=3 557 B5R0.5 C[C@@H]([C@H](C)O)O CHEBI:16812 [1,1,0,0,0,0|0,0,1]=3 558 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [1,1,0,0,0,0|0,0,1]=3 559 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [1,1,0,0,0,0|1,0,0]=3 561 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [1,1,0,0,0,0|1,0,0]=3 562 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [1,1,0,0,0,0|1,0,0]=3 563 B5R0.5 C[C@H](C(=O)[O-])N CHEBI:32435 [1,1,0,0,0,0|1,0,0]=3 564 B5R0.5 C[C@H](C(=O)[O-])O CHEBI:16004 [1,1,0,0,0,0|1,0,0]=3 565 B5R0.5 C[C@H](C(=O)[O-])[NH3+] CHEBI:57416 [1,1,0,0,0,0|1,0,0]=3 566 B5R0.5 C[C@H]([C@@H](C)O)O CHEBI:16982 [1,1,0,0,0,0|0,0,1]=3 567 B5R0.5 C[C@H]([C@H](C)O)O CHEBI:75460 [1,1,0,0,0,0|0,0,1]=3 568 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [1,1,0,0,0,0|1,0,0]=3 569 B5R0.2 C(C#CC=O)O CHEBI:16711 [1,1,0,0,0,0|0,0,2]=4 570 B5R0.2 C(CC=O)CN CHEBI:17769 [1,1,0,0,0,0|0,0,0]=2 571 B5R0.2 C(CC=O)C[NH3+] CHEBI:58264 [1,1,0,0,0,0|0,0,0]=2 572 B5R0.2 C(CCCl)CO CHEBI:87310 [1,1,0,0,0,0|0,0,2]=4 573 B5R0.2 C(CCN)CN CHEBI:17148 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.2 C(CCO)CO CHEBI:41189 [1,1,0,0,0,0|0,0,2]=4 575 B5R0.2 C(CC[NH3+])C[NH3+] CHEBI:326268 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.2 CCCCC=C CHEBI:24579 [1,1,0,0,0,0|1,0,0]=3 577 B5R0.2 CCCCC=O CHEBI:84069 [1,1,0,0,0,0|0,0,0]=2 578 B5R0.2 CCCCCC CHEBI:29021 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.2 CCCCCN CHEBI:74848 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.2 CCCCCO CHEBI:44884 [1,1,0,0,0,0|0,0,2]=4 581 B5R0.2 CCCCNC CHEBI:59019 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.2 CCC\C=N\O CHEBI:59012 [1,1,0,0,0,0|0,0,1]=3 583 B5R0.2 CCOCCO CHEBI:46788 [1,1,0,0,0,0|0,0,2]=4 584 B5R0.2 CCSCCS CHEBI:38625 [1,1,0,0,0,0|0,1,1]=4 585 B5R0.2 CC\C=C\C=O CHEBI:61722 [1,1,0,0,0,0|0,0,1]=3 586 B5R0.2 COCCOC CHEBI:42263 [1,1,0,0,0,0|2,0,0]=4 587 B5R0.2 CSCCC=O CHEBI:49017 [1,1,0,0,0,0|0,0,0]=2 588 B5R0.2 CSCCCN CHEBI:16696 [1,1,0,0,0,0|1,0,1]=4 589 B5R0.2 CSCCCO CHEBI:49019 [1,1,0,0,0,0|0,0,2]=4 590 B5R0.2 CSCCC[NH3+] CHEBI:57866 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.2 CSC\C=N\O CHEBI:50716 [1,1,0,0,0,0|1,0,1]=4 592 B5R0.2 CSSCC=C CHEBI:6854 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.2 C(C(CN)O)C(=O)O CHEBI:16080 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.2 C(C(CN)O)C(=O)[O-] CHEBI:11955 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.2 C(C(CO)O)C(=O)O CHEBI:86371 [0,2,0,0,0,0|2,0,0]=4 596 B7R0.2 C(C(C[NH3+])O)C(=O)[O-] CHEBI:57630 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.2 C([C@H](CO)N)C(=O)O CHEBI:41011 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.2 CC(C=O)OC(=O)C CHEBI:87544 [0,2,0,0,0,0|0,0,1]=3 599 B7R0.2 CCC(=O)CC(=O)O CHEBI:27401 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.2 CCC(=O)CC(=O)[O-] CHEBI:20177 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.3 CCC(=O)\C=C\C=O CHEBI:76721 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.5 C(C#N)C(C(=O)O)N CHEBI:132546 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.5 C(C#N)[C@@H](C(=O)O)N CHEBI:16934 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.5 C(C#N)[C@@H](C(=O)[O-])N CHEBI:57954 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.5 C(C#N)[C@@H](C(=O)[O-])[NH3+] CHEBI:77860 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.5 C(C=O)[C@@H](C(=O)O)N CHEBI:18051 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.5 C(C=O)[C@@H](C(=O)[O-])N CHEBI:13086 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.5 C(C=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:537519 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.5 C(CN)C(C(=O)O)N CHEBI:64307 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.5 C(CN)[C@@H](C(=O)O)N CHEBI:48950 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.5 C(CN)[C@@H](C(=O)[O-])N CHEBI:16028 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.5 C(CO)C(C(=O)O)N CHEBI:30653 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.5 C(CO)C(C(=O)O)O CHEBI:86348 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.5 C(CO)C(C(=O)[O-])N CHEBI:62980 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.5 C(CO)[C@@H](C(=O)O)N CHEBI:15699 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.5 C(CO)[C@@H](C(=O)[O-])[NH3+] CHEBI:57476 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.5 C(CO)[C@H](C(=O)O)N CHEBI:30654 [0,2,0,0,0,0|1,0,0]=3 618 B7R0.5 C(CS)C(C(=O)O)N CHEBI:17230 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.5 C(CS)C(C(=O)[O-])N CHEBI:66952 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.5 C(CS)C(C(=O)[O-])[NH3+] CHEBI:58065 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.5 C(CS)[C@@H](C(=O)O)N CHEBI:17588 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.5 C(CS)[C@@H](C(=O)[O-])N CHEBI:63072 [0,2,0,0,0,0|1,0,0]=3 623 B7R0.5 C(CS)[C@@H](C(=O)[O-])[NH3+] CHEBI:58199 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.5 C(C[NH3+])[C@@H](C(=O)[O-])[NH3+] CHEBI:58761 [0,2,0,0,0,0|1,0,0]=3 625 B7R0.5 C(C[SeH])[C@@H](C(=O)O)N CHEBI:9096 [0,2,0,0,0,0|1,0,0]=3 626 B7R0.5 C(C[SeH])[C@@H](C(=O)[O-])[NH3+] CHEBI:84850 [0,2,0,0,0,0|1,0,0]=3 627 B7R0.5 C([C@@H](C(=O)O)N)S=O CHEBI:41630 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.5 C([C@@H](C(=O)O)N)SO CHEBI:41710 [0,2,0,0,0,0|2,0,0]=4 629 B7R0.5 C([C@@H](C(=O)O)N)SS CHEBI:28839 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.5 C([C@@H](C(=O)[O-])[NH3+])SS CHEBI:58591 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.5 CC(C)C(C)CC=C CHEBI:87517 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.5 CCCC(=O)C(=O)C CHEBI:87583 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.5 CCCC(=O)C(=O)O CHEBI:33033 [0,2,0,0,0,0|1,0,1]=4 634 B7R0.5 CCCC(=O)C(=O)[O-] CHEBI:28644 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.5 CCCC(C(=O)O)N CHEBI:19475 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.5 CCCC(C(=O)O)O CHEBI:60647 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.5 CCCC(C(=O)[O-])O CHEBI:60630 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.5 CCC[C@@H](C(=O)O)N CHEBI:18314 [0,2,0,0,0,0|1,0,0]=3 639 B7R0.5 CCC[C@@H](C(=O)[O-])[NH3+] CHEBI:58441 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.5 CCC[C@H](C(=O)O)N CHEBI:28804 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.5 CCOC(C)C(=O)C CHEBI:87526 [0,2,0,0,0,0|0,0,0]=2 642 B7R0.5 CNC[C@@H](C(=O)O)N CHEBI:73169 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.5 COC[C@@H](C(=O)O)N CHEBI:74798 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.5 CSC[C@@H](C(=O)O)N CHEBI:45658 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.5 CSC[C@@H](C(=O)[O-])[NH3+] CHEBI:133545 [0,2,0,0,0,0|1,0,0]=3 646 B7R0.5 C[Se]CC(C(=O)O)N CHEBI:9068 [0,2,0,0,0,0|1,0,0]=3 647 B7R0.5 C[Se]CC(C(=O)O)[NH3+] CHEBI:53132 [0,2,0,0,0,0|1,0,0]=3 648 B7R0.5 C[Se]CC(C(=O)[O-])N CHEBI:53128 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.5 C[Se]C[C@@H](C(=O)O)N CHEBI:27812 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.5 C[Se]C[C@@H](C(=O)O)[NH3+] CHEBI:53130 [0,2,0,0,0,0|1,0,0]=3 651 B7R0.5 C[Se]C[C@@H](C(=O)[O-])N CHEBI:53126 [0,2,0,0,0,0|1,0,0]=3 652 B7R0.5 C[Se]C[C@@H](C(=O)[O-])[NH3+] CHEBI:58531 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.5 C[Se]C[C@H](C(=O)O)N CHEBI:53125 [0,2,0,0,0,0|1,0,0]=3 654 B7R0.5 C[Se]C[C@H](C(=O)O)[NH3+] CHEBI:53131 [0,2,0,0,0,0|1,0,0]=3 655 B7R0.5 C[Se]C[C@H](C(=O)[O-])N CHEBI:53129 [0,2,0,0,0,0|1,0,0]=3 656 B7R0.5 C\C=C\C(C)C(=C)C CHEBI:87530 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.7 CCCC(C)CCC CHEBI:67193 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.10 C(C(C(=O)CO)O)O CHEBI:23958 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.10 C(C(C(=O)NO)N)O CHEBI:75494 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.10 C(C(C(C=N)O)O)O CHEBI:111520 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.10 C([C@@H](C(=O)C=O)O)O CHEBI:46669 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.10 C([C@@H](C(=O)CO)O)O CHEBI:27913 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O CHEBI:21288 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.10 C([C@@H]([C@H](C=O)O)O)O CHEBI:21405 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.10 C([C@H](C(=O)CO)O)O CHEBI:16023 [0,2,0,0,0,0|2,0,0]=4 666 B7R0.10 C([C@H]([C@@H](C=O)O)O)O CHEBI:28587 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.10 C([C@H]([C@H](C=O)O)O)O CHEBI:27904 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.10 CC(\C(=N/O)\C)SC CHEBI:38469 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.10 CCC(C(=O)CC)O CHEBI:18351 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.10 COC(=O)[C@H](CS)N CHEBI:41531 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.10 CSC(=O)[C@@H](CO)O CHEBI:17163 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.10 [*]OC(=O)[C@H](CS)N CHEBI:61894 [0,2,0,0,0,0|2,0,0]=4 673 B7R0.11 CC(C)(\C=N\O)SC CHEBI:60330 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.11 CCCC(C)(C)CC CHEBI:132182 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.12 CCC(CC)CC=C CHEBI:87523 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.13 CC(CO)(C(=O)O)N CHEBI:134206 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.13 CC(CO)(C(=O)O)O CHEBI:36532 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.13 CC(CO)(C(=O)[O-])O CHEBI:19315 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.13 CC(CO)(C(=O)[O-])[NH3+] CHEBI:58275 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.13 CCC(C(=O)O)(N)O CHEBI:74821 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.13 CCC(C)(C(=O)O)O CHEBI:68454 [0,2,0,0,0,0|0,0,0]=2 682 B7R0.13 CCC(C)(C)C(=O)O CHEBI:38649 [0,2,0,0,0,0|0,0,0]=2 683 B7R0.13 C[C@@](CO)(C(=O)O)N CHEBI:134205 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.13 C[C@](CO)(C(=O)O)N CHEBI:74819 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.15 C(C(CS)C(=O)O)S CHEBI:17919 [0,2,0,0,0,0|1,0,0]=3 686 B7R0.15 C(C(CS)C(=O)[O-])S CHEBI:58322 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.15 CCC(CO)C(=O)O CHEBI:82956 [0,2,0,0,0,0|0,0,0]=2 688 B7R0.15 CCC(CO)C(=O)[O-] CHEBI:82955 [0,2,0,0,0,0|0,0,0]=2 689 B7R0.15 CCN(C(=O)N)N=O CHEBI:23995 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.16 CC(=O)C(C(=O)O)N CHEBI:17844 [0,2,0,0,0,0|1,0,1]=4 691 B7R0.16 CC(=O)[C@@H](C(=O)O)N CHEBI:40673 [0,2,0,0,0,0|1,0,1]=4 692 B7R0.16 CC(=O)[C@@H](C(=O)[O-])N CHEBI:16944 [0,2,0,0,0,0|1,0,1]=4 693 B7R0.16 CC(=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:78948 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.16 CC(C(=O)C)C(=O)O CHEBI:37079 [0,2,0,0,0,0|0,0,1]=3 695 B7R0.16 CC(C(=O)C)C(=O)[O-] CHEBI:19680 [0,2,0,0,0,0|0,0,1]=3 696 B7R0.16 CC(C(=O)O)C(=O)O CHEBI:30860 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.16 CC(C(=O)O)C(=O)[O-] CHEBI:30861 [0,2,0,0,0,0|1,0,1]=4 698 B7R0.16 CC(C(=O)[O-])C(=O)[O-] CHEBI:17453 [0,2,0,0,0,0|1,0,1]=4 699 B7R0.16 CC(C(C(=O)O)N)O CHEBI:38263 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.16 CC(C(C(=O)O)O)O CHEBI:86347 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.16 CC(C(C)O)C(=O)O CHEBI:37051 [0,2,0,0,0,0|0,0,0]=2 702 B7R0.16 CC(C(C)O)C(=O)[O-] CHEBI:78554 [0,2,0,0,0,0|0,0,0]=2 703 B7R0.16 CC(C)C(=O)C(=O)O CHEBI:16530 [0,2,0,0,0,0|1,0,1]=4 704 B7R0.16 CC(C)C(=O)C(=O)[O-] CHEBI:11851 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.16 CC(C)C(C(=O)O)N CHEBI:27266 [0,2,0,0,0,0|1,0,0]=3 706 B7R0.16 CC(C)C(C(=O)O)O CHEBI:60645 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.16 CC(C)C(C(=O)O)[NH3+] CHEBI:32860 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.16 CC(C)C(C(=O)[O-])N CHEBI:32859 [0,2,0,0,0,0|1,0,0]=3 709 B7R0.16 CC(C)C(C(=O)[O-])O CHEBI:64669 [0,2,0,0,0,0|1,0,0]=3 710 B7R0.16 CC(C)C(C)C(=O)O CHEBI:38650 [0,2,0,0,0,0|0,0,0]=2 711 B7R0.16 CC(C)[C@@H](C(=O)O)N CHEBI:16414 [0,2,0,0,0,0|1,0,0]=3 712 B7R0.16 CC(C)[C@@H](C(=O)O)O CHEBI:60631 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.16 CC(C)[C@@H](C(=O)O)[NH3+] CHEBI:32852 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.16 CC(C)[C@@H](C(=O)[O-])N CHEBI:32851 [0,2,0,0,0,0|1,0,0]=3 715 B7R0.16 CC(C)[C@@H](C(=O)[O-])O CHEBI:744019 [0,2,0,0,0,0|1,0,0]=3 716 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] CHEBI:57762 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.16 CC(C)[C@H](C(=O)O)N CHEBI:27477 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.16 CC(C)[C@H](C(=O)O)O CHEBI:46415 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.16 CC(C)[C@H](C(=O)O)[NH3+] CHEBI:32856 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.16 CC(C)[C@H](C(=O)[O-])N CHEBI:32855 [0,2,0,0,0,0|1,0,0]=3 721 B7R0.16 CC(C)[C@H](C(=O)[O-])[NH3+] CHEBI:74338 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.16 C[C@@H](C(=O)O)N(C)C CHEBI:77042 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.16 C[C@@H](C(C)C)C(=O)O CHEBI:38652 [0,2,0,0,0,0|0,0,0]=2 724 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O CHEBI:28718 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.16 C[C@@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:58585 [0,2,0,0,0,0|1,0,0]=3 726 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O CHEBI:16398 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.16 C[C@@H]([C@H](C(=O)O)[NH3+])O CHEBI:32828 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.16 C[C@@H]([C@H](C(=O)[O-])N)O CHEBI:32827 [0,2,0,0,0,0|1,0,0]=3 729 B7R0.16 C[C@@H]([C@H](C(=O)[O-])[NH3+])O CHEBI:57757 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.16 C[C@@H]([C@H](C)O)C(=O)O CHEBI:37052 [0,2,0,0,0,0|0,0,0]=2 731 B7R0.16 C[C@@H]([C@H](C)O)C(=O)[O-] CHEBI:78559 [0,2,0,0,0,0|0,0,0]=2 732 B7R0.16 C[C@H](C(C)C)C(=O)O CHEBI:38651 [0,2,0,0,0,0|0,0,0]=2 733 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CHEBI:16857 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.16 C[C@H]([C@@H](C(=O)O)O)O CHEBI:86391 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH3+])O CHEBI:32822 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.16 C[C@H]([C@@H](C(=O)[O-])N)O CHEBI:32820 [0,2,0,0,0,0|1,0,0]=3 737 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:57926 [0,2,0,0,0,0|1,0,0]=3 738 B7R0.16 C[C@H]([C@H](C(=O)N)O)O CHEBI:28598 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.16 C[C@H]([C@H](C(=O)O)N)O CHEBI:32826 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.16 C[C@H]([C@H](C(=O)[O-])[NH3+])O CHEBI:58645 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.16 [13CH3][13CH]([13CH3])[13C@@H]([13C](=O)O)[15NH2] CHEBI:87977 [0,2,0,0,0,0|1,0,0]=3 742 B5R1.2 C1CNC1=O CHEBI:327119 [1,0,0,1,0,0|1,0,1]=4 743 B5R1.2 C1COC1=O CHEBI:49073 [1,0,0,1,0,0|1,0,1]=4 744 B5R1.3 C1C(O1)CBr CHEBI:18718 [1,0,0,1,0,0|1,0,1]=4 745 B5R1.3 C1C(O1)CCl CHEBI:37144 [1,0,0,1,0,0|1,0,1]=4 746 B5R1.3 C1C(O1)CO CHEBI:30966 [1,0,0,1,0,0|1,0,1]=4 747 B5R1.3 C1[C@@H](O1)CCl CHEBI:18662 [1,0,0,1,0,0|1,0,1]=4 748 B5R1.3 C1[C@@H](O1)CO CHEBI:38690 [1,0,0,1,0,0|1,0,1]=4 749 B5R1.3 C1[C@H](O1)CCl CHEBI:37145 [1,0,0,1,0,0|1,0,1]=4 750 B5R1.3 C1[C@H](O1)CO CHEBI:18664 [1,0,0,1,0,0|1,0,1]=4 751 B5R1.3 C=CC1CN1 CHEBI:51318 [1,0,0,1,0,0|2,0,0]=4 752 B5R1.3 C=CN1CC1 CHEBI:51317 [1,0,0,1,0,0|2,0,0]=4 753 B5R1.5 C[N+]1(CC1)C CHEBI:50947 [1,0,0,1,0,0|1,0,1]=4 754 B5R1.1 C1C=CCN1 CHEBI:20198 [1,0,0,1,0,0|2,0,0]=4 755 B5R1.1 C1CC=CC1 CHEBI:49155 [1,0,0,1,0,0|1,0,0]=3 756 B5R1.1 C1CC=NC1 CHEBI:19092 [1,0,0,1,0,0|1,0,0]=3 757 B5R1.1 C1CC=[NH+]C1 CHEBI:36781 [1,0,0,1,0,0|1,0,0]=3 758 B5R1.1 C1CCCC1 CHEBI:23492 [1,0,0,1,0,0|1,0,1]=4 759 B5R1.1 C1CCNC1 CHEBI:33135 [1,0,0,1,0,0|1,0,1]=4 760 B5R1.1 C1CCOC1 CHEBI:26911 [1,0,0,1,0,0|0,0,2]=4 761 B5R1.1 C1CCPC1 CHEBI:33133 [1,0,0,1,0,0|1,0,1]=4 762 B5R1.1 C1CCSC1 CHEBI:48458 [1,0,0,1,0,0|0,1,1]=4 763 B5R1.1 C1CC[AsH]C1 CHEBI:33132 [1,0,0,1,0,0|1,0,1]=4 764 B5R1.1 C1CC[NH2+]C1 CHEBI:52145 [1,0,0,1,0,0|1,0,1]=4 765 B5R1.1 C1CN=CN1 CHEBI:53094 [1,0,0,1,0,0|2,0,0]=4 766 B5R1.1 C1CNC=C1 CHEBI:32986 [1,0,0,1,0,0|1,0,1]=4 767 B5R1.1 C1CNNC1 CHEBI:33138 [1,0,0,1,0,0|2,0,0]=4 768 B5R1.1 C1CNOC1 CHEBI:50311 [1,0,0,1,0,0|1,0,1]=4 769 B5R1.1 C1CNSC1 CHEBI:50121 [1,0,0,1,0,0|1,1,0]=4 770 B5R1.1 C1COC=C1 CHEBI:51662 [1,0,0,1,0,0|0,0,2]=4 771 B5R1.1 C1CSSC1 CHEBI:38226 [1,0,0,1,0,0|1,1,0]=4 772 B7R1.1 C1CC(NC1)CN CHEBI:50468 [0,1,0,1,0,0|1,0,1]=4 773 B7R1.1 C1CC(NC1)CO CHEBI:59652 [0,1,0,1,0,0|0,0,2]=4 774 B7R1.1 C1C[C@@H](NC1)CN CHEBI:50470 [0,1,0,1,0,0|1,0,1]=4 775 B7R1.1 C1C[C@@H](NC1)CO CHEBI:84258 [0,1,0,1,0,0|0,0,2]=4 776 B7R1.1 C1C[C@H](NC1)CN CHEBI:44632 [0,1,0,1,0,0|1,0,1]=4 777 B7R1.2 C1CC(=O)CC1=O CHEBI:41456 [0,1,0,1,0,0|1,0,1]=4 778 B7R1.2 C1CC(=O)NC1=O CHEBI:9307 [0,1,0,1,0,0|1,0,1]=4 779 B7R1.2 C1CC(=O)OC1=O CHEBI:36595 [0,1,0,1,0,0|1,0,1]=4 780 B7R1.2 C=C1CCC(=O)O1 CHEBI:36439 [0,1,0,1,0,0|0,0,2]=4 781 B7R1.2 CC1=CCC(=O)O1 CHEBI:36433 [0,1,0,1,0,0|0,0,2]=4 782 B7R1.2 CC1C=CC(=O)O1 CHEBI:36436 [0,1,0,1,0,0|0,0,2]=4 783 B7R1.2 CC1CCC(=C1)O CHEBI:111510 [0,1,0,1,0,0|0,0,1]=3 784 B7R1.2 CC1CCC(=O)O1 CHEBI:48569 [0,1,0,1,0,0|0,0,0]=2 785 B7R1.2 C[C@@H]1C=CC(=O)O1 CHEBI:36443 [0,1,0,1,0,0|0,0,2]=4 786 B7R1.2 C[C@@H]1CCC(=O)O1 CHEBI:48570 [0,1,0,1,0,0|0,0,0]=2 787 B7R1.2 C[C@H]1C=CC(=O)O1 CHEBI:36444 [0,1,0,1,0,0|0,0,2]=4 788 B7R1.2 C[C@H]1CCC(=O)O1 CHEBI:48571 [0,1,0,1,0,0|0,0,0]=2 789 B7R1.4 C1C(C(=O)NO1)N CHEBI:23503 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.4 C1C(C(=O)NS1)N CHEBI:64599 [0,1,0,1,0,0|2,0,0]=4 791 B7R1.4 C1COC(=O)C1N CHEBI:17289 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.4 C1COC(=O)C1[NH3+] CHEBI:58093 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.4 C1COC(=O)[C@@H]1N CHEBI:30657 [0,1,0,1,0,0|1,0,0]=3 794 B7R1.4 C1COC(=O)[C@H]1N CHEBI:30655 [0,1,0,1,0,0|1,0,0]=3 795 B7R1.4 C1COC(=O)[C@H]1[NH3+] CHEBI:58633 [0,1,0,1,0,0|1,0,0]=3 796 B7R1.4 C1CSC(=O)[C@H]1N CHEBI:60315 [0,1,0,1,0,0|1,0,0]=3 797 B7R1.4 C1[C@@H](C(=O)NO1)N CHEBI:75592 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.4 C1[C@H](C(=O)NO1)N CHEBI:40009 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.4 C1[C@H](C(=O)NO1)[NH3+] CHEBI:75929 [0,1,0,1,0,0|2,0,0]=4 800 B7R1.4 C1[C@H](C(=O)[N-]O1)[NH3+] CHEBI:74159 [0,1,0,1,0,0|2,0,0]=4 801 B7R1.4 C=C1CCOC1=O CHEBI:104120 [0,1,0,1,0,0|0,0,2]=4 802 B7R1.4 CC1C(=O)CCS1 CHEBI:87506 [0,1,0,1,0,0|0,0,0]=2 803 B7R1.4 CN1CCCC1=O CHEBI:7307 [0,1,0,1,0,0|1,0,0]=3 804 B7R1.12 CC(=O)C1CC1=C CHEBI:131398 [0,1,0,1,0,0|0,0,2]=4 805 B7R1.18 C1CNC1C(=O)O CHEBI:38108 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.18 C1CN[C@@H]1C(=O)O CHEBI:6198 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.18 C1CN[C@H]1C(=O)O CHEBI:38109 [0,1,0,1,0,0|1,0,0]=3 808 B7R1.19 C1CC1(C(=O)O)N CHEBI:18053 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.19 C1CC1(C(=O)[O-])N CHEBI:30526 [0,1,0,1,0,0|1,0,0]=3 810 B7R1.19 C1CC1(C(=O)[O-])[NH3+] CHEBI:58360 [0,1,0,1,0,0|1,0,0]=3