0 B7R0.2 C(C(=O)O)N(C=O)O CHEBI:43040 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.2 C(C(CN)O)C(=O)O CHEBI:16080 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.2 C(C(CN)O)C(=O)[O-] CHEBI:11955 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 C(C(CO)O)C(=O)O CHEBI:86371 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.2 C(C(C[NH3+])O)C(=O)[O-] CHEBI:57630 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.2 C([C@H](CO)N)C(=O)O CHEBI:41011 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.2 CC(C=O)OC(=O)C CHEBI:87544 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.2 CCC(=O)CC(=O)O CHEBI:27401 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.2 CCC(=O)CC(=O)[O-] CHEBI:20177 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.2 CN(CC(=O)O)N=O CHEBI:82363 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.2 [*]SC(=O)CC(=O)O CHEBI:17330 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 C(CO)C(CO)O CHEBI:88063 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CC(C[197Hg]Cl)OC CHEBI:59455 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCC(C)CCO CHEBI:87381 [1,0,0,0,0,0|0,0,1]=2 14 B6R0.1 CCC(C)\C=N/O CHEBI:61136 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 CCC(C)\C=N\O CHEBI:61134 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.1 CCC(C)\C=N\O CHEBI:61135 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 CCS(=O)CCO CHEBI:38736 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 C\C(=C\C=O)\CO CHEBI:133364 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.2 C(C(=O)N)C(=O)O CHEBI:43991 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.2 C(C(=O)O)C(=O)O CHEBI:30794 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.2 C(C(=O)O)C(=O)[O-] CHEBI:30795 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.2 CC(=CC(=O)O)C CHEBI:37127 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.2 CC(=O)CC(=O)N CHEBI:28515 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 CC(=O)CC(=O)[O-] CHEBI:13705 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [1,0,0,0,0,0|0,0,0]=1 29 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [1,0,0,0,0,0|0,0,1]=2 30 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 C(C(=O)O)NC=N CHEBI:18415 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 C(C(=O)O)NC=O CHEBI:21717 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.4 C(CC(=O)[O-])C=O CHEBI:57706 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.4 C(CC(=O)[O-])CN CHEBI:30566 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.4 C(CC(=O)[O-])C[NH3+] CHEBI:59888 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.4 C(C[N+](=O)[O-])CO CHEBI:49042 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 C=CCCC(=O)O CHEBI:35936 [1,0,0,0,0,0|0,0,2]=3 55 B6R0.4 C=CCCC(=O)[O-] CHEBI:35935 [1,0,0,0,0,0|0,0,3]=4 56 B6R0.4 CC(=O)CCC=O CHEBI:87363 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.4 CC(=O)NCCO CHEBI:74687 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 CC(=O)NCCS CHEBI:74410 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.4 CC(=O)SCCN CHEBI:17853 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 CC(=O)SCC[NH3+] CHEBI:58295 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.4 CCCCC(=O)N CHEBI:16459 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.4 CCCCC(=O)O CHEBI:17418 [1,0,0,0,0,0|0,0,0]=1 63 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [1,0,0,0,0,0|0,0,1]=2 64 B6R0.4 CCCCN(C)C CHEBI:59023 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 CCCOC(=O)C CHEBI:40116 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.4 CCNCC(=O)O CHEBI:15620 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.4 CC[NH2+]CC(=O)[O-] CHEBI:57440 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.4 CC\C=C/C(=O)O CHEBI:38367 [1,0,0,0,0,0|0,0,2]=3 69 B6R0.4 CC\C=C\C(=O)O CHEBI:35939 [1,0,0,0,0,0|0,0,2]=3 70 B6R0.4 CC\C=C\C(=O)O CHEBI:38366 [1,0,0,0,0,0|0,0,2]=3 71 B6R0.4 CSCCC(=O)O CHEBI:1438 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 C\C=C/CC(=O)O CHEBI:38369 [1,0,0,0,0,0|0,0,2]=3 74 B6R0.4 C\C=C\CC(=O)O CHEBI:38368 [1,0,0,0,0,0|0,0,2]=3 75 B6R0.4 C\C=C\CC(=O)O CHEBI:38370 [1,0,0,0,0,0|0,0,2]=3 76 B6R0.4 [*]C(=O)NCCO CHEBI:85281 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.2 C(C(=O)[C@H](C(=O)O)O)O CHEBI:16943 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.2 C(C(C(C(=O)O)O)O)O CHEBI:49060 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.2 C([C@@H]([C@@H](C(=O)O)O)O)O CHEBI:49058 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.2 C([C@@H]([C@H](C(=O)O)O)O)O CHEBI:15908 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.2 C([C@@H]([C@H](C(=O)[O-])O)O)O CHEBI:57561 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)Cl CHEBI:49549 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)F CHEBI:11986 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)O CHEBI:28330 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.2 C([C@H]([C@@H](C(=O)O)O)O)O CHEBI:49059 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.2 C([C@H]([C@@H](C(=O)[O-])O)O)O CHEBI:45912 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.2 C([C@H]([C@@H](C(=O)[O-])[NH3+])O)F CHEBI:57264 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.2 C([C@H]([C@@H](C(=O)[O-])[NH3+])O)O CHEBI:60904 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.2 C([C@H]([C@H](C(=O)O)O)O)O CHEBI:37655 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.2 CC(=O)[C@H]([C@@H](CO)O)O CHEBI:28354 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.2 CCC(=O)C(C)C(=O)O CHEBI:86365 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.2 CCC(C(C(=O)O)N)O CHEBI:74112 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.2 CCC(C)C(=O)C(=O)O CHEBI:35932 [0,1,0,0,0,0|0,0,1]=2 94 B8R0.2 CCC(C)C(=O)C(=O)[O-] CHEBI:28654 [0,1,0,0,0,0|0,0,2]=3 95 B8R0.2 CCC(C)C(C(=O)O)N CHEBI:38264 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.2 CCC(C)C(C(=O)O)O CHEBI:133083 [0,1,0,0,0,0|0,0,0]=1 97 B8R0.2 CCC(C)C(C(=O)[O-])O CHEBI:133085 [0,1,0,0,0,0|0,0,1]=2 98 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CHEBI:28379 [0,1,0,0,0,0|0,0,1]=2 99 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N CHEBI:43433 [0,1,0,0,0,0|0,0,0]=1 100 B8R0.2 CC[C@@H](C)[C@@H](C(=O)[O-])[NH3+] CHEBI:85338 [0,1,0,0,0,0|0,0,1]=2 101 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N CHEBI:27730 [0,1,0,0,0,0|0,0,0]=1 102 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)[NH3+] CHEBI:32609 [0,1,0,0,0,0|0,0,0]=1 103 B8R0.2 CC[C@@H](C)[C@H](C(=O)[O-])N CHEBI:32608 [0,1,0,0,0,0|0,0,1]=2 104 B8R0.2 CC[C@@H](C)[C@H](C(=O)[O-])O CHEBI:133082 [0,1,0,0,0,0|0,0,1]=2 105 B8R0.2 CC[C@H](C)C(=O)C(=O)O CHEBI:15614 [0,1,0,0,0,0|0,0,1]=2 106 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] CHEBI:35146 [0,1,0,0,0,0|0,0,2]=3 107 B8R0.2 CC[C@H](C)[C@@H](C(=O)N)N CHEBI:21345 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CHEBI:17191 [0,1,0,0,0,0|0,0,0]=1 109 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)[NH3+] CHEBI:32605 [0,1,0,0,0,0|0,0,0]=1 110 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])N CHEBI:32604 [0,1,0,0,0,0|0,0,1]=2 111 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] CHEBI:58045 [0,1,0,0,0,0|0,0,1]=2 112 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N CHEBI:20899 [0,1,0,0,0,0|0,0,0]=1 113 B8R0.2 CC[C@H](C)[C@H](C(=O)O)O CHEBI:55536 [0,1,0,0,0,0|0,0,0]=1 114 B8R0.2 CC[C@H](C)[C@H](C(=O)[O-])O CHEBI:55537 [0,1,0,0,0,0|0,0,1]=2 115 B8R0.2 CC[C@H](C)[C@H](C(=O)[O-])[NH3+] CHEBI:85306 [0,1,0,0,0,0|0,0,1]=2 116 B8R0.2 CC[C@H]([C@H](C)C(=O)O)O CHEBI:55434 [0,1,0,0,0,0|1,0,0]=2 117 B8R0.5 CCCC(=O)CC(=O)O CHEBI:28422 [0,1,0,0,0,0|1,0,1]=3 118 B8R0.5 CCCC(=O)CC(=O)[O-] CHEBI:37030 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.5 CCCC(CC(=O)O)O CHEBI:37035 [0,1,0,0,0,0|1,0,0]=2 120 B8R0.5 CCCC(CC(=O)[O-])O CHEBI:20070 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.5 CCC[C@@H](CC(=O)O)O CHEBI:37049 [0,1,0,0,0,0|1,0,0]=2 122 B8R0.16 [*]C(=O)OC(CO)CO CHEBI:17389 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.23 C(C(C(=O)N)N)C(=O)O CHEBI:49010 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.23 C(C(C(=O)O)Br)C(=O)O CHEBI:73712 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.23 C(C(C(=O)O)Cl)C(=O)O CHEBI:90244 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.23 C(C(C(=O)O)N)C(=O)O CHEBI:22660 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.23 C(C(C(=O)O)O)C(=O)O CHEBI:6650 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.23 C(C(C(=O)O)S)C(=O)O CHEBI:38705 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.23 C(C(C(=O)O)[S-])C(=O)O CHEBI:38709 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.23 C(C(C(=O)[O-])[S-])C(=O)O CHEBI:38714 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O CHEBI:21248 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CHEBI:17053 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O CHEBI:30797 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.23 C([C@@H](C(=O)O)S)C(=O)O CHEBI:38720 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.23 C([C@H](C(=O)N)N)C(=O)O CHEBI:49011 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CHEBI:17364 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.23 C([C@H](C(=O)O)O)C(=O)O CHEBI:30796 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.23 C([C@H](C(=O)O)S)C(=O)O CHEBI:38719 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.23 CC(C)C(=O)CC(=O)O CHEBI:29024 [0,1,0,0,0,0|1,0,1]=3 140 B8R0.23 CC(C)C(=O)CC(=O)[O-] CHEBI:62222 [0,1,0,0,0,0|1,0,2]=4 141 B8R0.23 CC(C)C(CC(=O)O)N CHEBI:72772 [0,1,0,0,0,0|1,0,0]=2 142 B8R0.23 CC(C)[C@@H](CC(=O)O)N CHEBI:15604 [0,1,0,0,0,0|1,0,0]=2 143 B8R0.23 CC(C)[C@@H](CC(=O)[O-])[NH3+] CHEBI:57428 [0,1,0,0,0,0|1,0,1]=3 144 B8R0.23 CC(C)[C@H](CC(=O)O)N CHEBI:86261 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.23 CC(CC(=O)O)C(=O)O CHEBI:91315 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.23 CN(CC(=O)O)C(=N)N CHEBI:16919 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.23 CN(CC(=O)O)C(=O)N CHEBI:15737 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CHEBI:91316 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.23 C[C@H](CC(=O)O)C(=O)O CHEBI:91317 [0,1,0,0,0,0|1,0,1]=3 150 B8R0.24 C(C(CS(=O)(=O)O)O)O CHEBI:77267 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.24 C(C(CS(=O)(=O)O)S)S CHEBI:888 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.24 C([C@H](CS(=O)(=O)O)O)O CHEBI:60996 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.24 CC(CN)OP(=O)(O)O CHEBI:19029 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.24 C[C@@H](CN)OP(=O)(O)O CHEBI:28293 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.24 C[C@H](CN)OP(=O)(O)O CHEBI:28390 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.1 C1CC(=O)CC1C#N CHEBI:71188 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.1 CCC1CCC(=O)O1 CHEBI:85235 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.4 C1CC(=O)CC(=O)C1 CHEBI:17766 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.4 C1CC(CC(=O)C1)O CHEBI:17611 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.18 CC1C(OC(O1)C)C CHEBI:87572 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.18 CC1CC(=O)OC1=O CHEBI:87587 [0,0,0,1,0,0|1,0,1]=3 162 B6R0.3 C(=O)C(C(=O)O)N CHEBI:17740 [0,0,0,0,1,0|2,0,1]=4 163 B6R0.3 C(=O)C(C(=O)O)O CHEBI:16992 [0,0,0,0,1,0|2,0,1]=4 164 B6R0.3 C(=O)[C@@H](C(=O)O)N CHEBI:37012 [0,0,0,0,1,0|2,0,1]=4 165 B6R0.3 C(C(=O)C(=O)O)Br CHEBI:131461 [0,0,0,0,1,0|2,0,1]=4 166 B6R0.3 C(C(=O)C(=O)O)F CHEBI:55521 [0,0,0,0,1,0|2,0,1]=4 167 B6R0.3 C(C(=O)C(=O)O)O CHEBI:30841 [0,0,0,0,1,0|2,0,1]=4 168 B6R0.3 C(C(=O)C(=O)O)S CHEBI:16208 [0,0,0,0,1,0|2,0,1]=4 169 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,0,0,0,1,0|2,0,0]=3 170 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,0,0,0,1,0|2,0,0]=3 171 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,0,0,0,1,0|2,0,0]=3 172 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,0,0,0,1,0|2,0,0]=3 173 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,0,0,0,1,0|2,0,0]=3 174 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,0,0,0,1,0|2,0,0]=3 175 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [0,0,0,0,1,0|2,0,0]=3 176 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [0,0,0,0,1,0|2,0,0]=3 177 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [0,0,0,0,1,0|2,0,0]=3 178 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [0,0,0,0,1,0|2,0,0]=3 179 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [0,0,0,0,1,0|2,0,0]=3 180 B6R0.3 C(C(C(=O)[O-])N)N CHEBI:49983 [0,0,0,0,1,0|2,0,1]=4 181 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [0,0,0,0,1,0|2,0,1]=4 182 B6R0.3 C(C(C(=O)[O-])N)S CHEBI:32456 [0,0,0,0,1,0|2,0,1]=4 183 B6R0.3 C(C(C(=O)[O-])N)[NH3+] CHEBI:58468 [0,0,0,0,1,0|2,0,1]=4 184 B6R0.3 C(C(C(=O)[O-])N)[S-] CHEBI:32457 [0,0,0,0,1,0|2,0,1]=4 185 B6R0.3 C(C(C(=O)[O-])N)[Se-] CHEBI:32753 [0,0,0,0,1,0|2,0,1]=4 186 B6R0.3 C(C(C(=O)[O-])N)[SeH] CHEBI:32752 [0,0,0,0,1,0|2,0,1]=4 187 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [0,0,0,0,1,0|2,0,1]=4 188 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [0,0,0,0,1,0|2,0,1]=4 189 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [0,0,0,0,1,0|2,0,1]=4 190 B6R0.3 C(C(C(=O)[O-])[NH3+])S CHEBI:35237 [0,0,0,0,1,0|2,0,1]=4 191 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,0,0,0,1,0|2,0,0]=3 192 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,0,0,0,1,0|2,0,0]=3 193 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,0,0,0,1,0|2,0,0]=3 194 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,0,0,0,1,0|2,0,0]=3 195 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,0,0,0,1,0|2,0,0]=3 196 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,0,0,0,1,0|2,0,0]=3 197 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,0,0,0,1,0|2,0,0]=3 198 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,0,0,0,1,0|2,0,0]=3 199 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [0,0,0,0,1,0|2,0,0]=3 200 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [0,0,0,0,1,0|2,0,0]=3 201 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [0,0,0,0,1,0|2,0,0]=3 202 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [0,0,0,0,1,0|2,0,0]=3 203 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [0,0,0,0,1,0|2,0,0]=3 204 B6R0.3 C([C@@H](C(=O)[O-])N)N CHEBI:13043 [0,0,0,0,1,0|2,0,1]=4 205 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [0,0,0,0,1,0|2,0,1]=4 206 B6R0.3 C([C@@H](C(=O)[O-])N)S CHEBI:32442 [0,0,0,0,1,0|2,0,1]=4 207 B6R0.3 C([C@@H](C(=O)[O-])N)[NH3+] CHEBI:57721 [0,0,0,0,1,0|2,0,1]=4 208 B6R0.3 C([C@@H](C(=O)[O-])N)[S-] CHEBI:32443 [0,0,0,0,1,0|2,0,1]=4 209 B6R0.3 C([C@@H](C(=O)[O-])N)[Se-] CHEBI:32743 [0,0,0,0,1,0|2,0,1]=4 210 B6R0.3 C([C@@H](C(=O)[O-])N)[SeH] CHEBI:32742 [0,0,0,0,1,0|2,0,1]=4 211 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])Cl CHEBI:58132 [0,0,0,0,1,0|2,0,1]=4 212 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [0,0,0,0,1,0|2,0,1]=4 213 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CHEBI:35235 [0,0,0,0,1,0|2,0,1]=4 214 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:84374 [0,0,0,0,1,0|2,0,1]=4 215 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[SeH] CHEBI:57843 [0,0,0,0,1,0|2,0,1]=4 216 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,0,0,0,1,0|2,0,0]=3 217 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,0,0,0,1,0|2,0,0]=3 218 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,0,0,0,1,0|2,0,0]=3 219 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,0,0,0,1,0|2,0,0]=3 220 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,0,0,0,1,0|2,0,0]=3 221 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [0,0,0,0,1,0|2,0,0]=3 222 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [0,0,0,0,1,0|2,0,0]=3 223 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [0,0,0,0,1,0|2,0,0]=3 224 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [0,0,0,0,1,0|2,0,0]=3 225 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [0,0,0,0,1,0|2,0,0]=3 226 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [0,0,0,0,1,0|2,0,1]=4 227 B6R0.3 C([C@H](C(=O)[O-])N)S CHEBI:32449 [0,0,0,0,1,0|2,0,1]=4 228 B6R0.3 C([C@H](C(=O)[O-])N)[S-] CHEBI:32450 [0,0,0,0,1,0|2,0,1]=4 229 B6R0.3 C([C@H](C(=O)[O-])N)[Se-] CHEBI:32750 [0,0,0,0,1,0|2,0,1]=4 230 B6R0.3 C([C@H](C(=O)[O-])N)[SeH] CHEBI:32747 [0,0,0,0,1,0|2,0,1]=4 231 B6R0.3 C([C@H](C(=O)[O-])O)F CHEBI:55533 [0,0,0,0,1,0|2,0,1]=4 232 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [0,0,0,0,1,0|2,0,1]=4 233 B6R0.3 C([C@H](C(=O)[O-])[NH3+])Cl CHEBI:47291 [0,0,0,0,1,0|2,0,1]=4 234 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [0,0,0,0,1,0|2,0,1]=4 235 B6R0.3 C([C@H](C(=O)[O-])[NH3+])S CHEBI:35236 [0,0,0,0,1,0|2,0,1]=4 236 B6R0.3 CC(C#N)C(=O)C CHEBI:87599 [0,0,0,0,1,0|2,0,1]=4 237 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [0,0,0,0,1,0|1,0,1]=3 238 B6R0.3 CC(C=O)C(=O)[O-] CHEBI:57700 [0,0,0,0,1,0|1,0,2]=4 239 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [0,0,0,0,1,0|1,0,0]=2 240 B6R0.3 CC(CN)C(=O)[O-] CHEBI:49096 [0,0,0,0,1,0|1,0,1]=3 241 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [0,0,0,0,1,0|1,0,0]=2 242 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [0,0,0,0,1,0|1,0,1]=3 243 B6R0.3 CCC(=C)C(=O)O CHEBI:84978 [0,0,0,0,1,0|0,0,2]=3 244 B6R0.3 CCC(=C)C(=O)[O-] CHEBI:84979 [0,0,0,0,1,0|0,0,3]=4 245 B6R0.3 CCC(=N)C(=O)O CHEBI:76872 [0,0,0,0,1,0|1,0,1]=3 246 B6R0.3 CCC(=O)C(=O)C CHEBI:52774 [0,0,0,0,1,0|2,0,1]=4 247 B6R0.3 CCC(=O)C(=O)O CHEBI:30831 [0,0,0,0,1,0|1,0,1]=3 248 B6R0.3 CCC(=O)C(=O)[O-] CHEBI:16763 [0,0,0,0,1,0|1,0,2]=4 249 B6R0.3 CCC(=[NH2+])C(=O)[O-] CHEBI:76545 [0,0,0,0,1,0|1,0,2]=4 250 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,0,0,0,1,0|1,0,0]=2 251 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [0,0,0,0,1,0|1,0,0]=2 252 B6R0.3 CCC(C(=O)[O-])N CHEBI:86508 [0,0,0,0,1,0|1,0,1]=3 253 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [0,0,0,0,1,0|1,0,1]=3 254 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [0,0,0,0,1,0|0,0,0]=1 255 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [0,0,0,0,1,0|0,0,1]=2 256 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [0,0,0,0,1,0|0,0,1]=2 257 B6R0.3 CCC(C)C(C)O CHEBI:77520 [0,0,0,0,1,0|1,0,1]=3 258 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,0,0,0,1,0|1,0,0]=2 259 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [0,0,0,0,1,0|1,0,0]=2 260 B6R0.3 CC[C@@H](C(=O)[O-])N CHEBI:28340 [0,0,0,0,1,0|1,0,1]=3 261 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [0,0,0,0,1,0|1,0,1]=3 262 B6R0.3 CC[C@@H](C(=O)[O-])[NH3+] CHEBI:74359 [0,0,0,0,1,0|1,0,1]=3 263 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [0,0,0,0,1,0|0,0,0]=1 264 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,0,0,0,1,0|1,0,0]=2 265 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [0,0,0,0,1,0|1,0,0]=2 266 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [0,0,0,0,1,0|0,0,0]=1 267 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [0,0,0,0,1,0|1,0,0]=2 268 B6R0.3 C[C@@H](C(=O)[O-])[NH2+]C CHEBI:58175 [0,0,0,0,1,0|1,0,1]=3 269 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [0,0,0,0,1,0|1,0,1]=3 270 B6R0.3 C[C@@H](C=O)C(=O)[O-] CHEBI:62413 [0,0,0,0,1,0|1,0,2]=4 271 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [0,0,0,0,1,0|1,0,0]=2 272 B6R0.3 C[C@@H](CN)C(=O)[O-] CHEBI:18188 [0,0,0,0,1,0|1,0,1]=3 273 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [0,0,0,0,1,0|1,0,0]=2 274 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [0,0,0,0,1,0|1,0,1]=3 275 B6R0.3 C[C@@H](C[NH3+])C(=O)[O-] CHEBI:58655 [0,0,0,0,1,0|1,0,1]=3 276 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [0,0,0,0,1,0|1,0,0]=2 277 B6R0.3 C[C@H](CN)C(=O)[O-] CHEBI:49097 [0,0,0,0,1,0|1,0,1]=3 278 B6R0.3 C[C@H](C[NH3+])C(=O)[O-] CHEBI:57731 [0,0,0,0,1,0|1,0,1]=3 279 B6R0.3 C\C(=N\O)\C(=O)O CHEBI:15730 [0,0,0,0,1,0|2,0,1]=4 280 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:36432 [0,0,0,0,1,0|0,0,2]=3 281 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:9592 [0,0,0,0,1,0|0,0,2]=3 282 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [0,0,0,0,1,0|1,0,2]=4 283 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [0,0,0,0,1,0|1,0,2]=4 284 B6R0.3 C\C=C(\C)/C(=O)O CHEBI:36431 [0,0,0,0,1,0|0,0,2]=3 285 B8R0.9 C(C(=O)NCC(=O)O)N CHEBI:17201 [0,0,0,0,0,1|2,0,1]=4 286 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:132969 [0,0,0,0,0,1|2,0,1]=4 287 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:17549 [0,0,0,0,0,1|2,0,1]=4 288 B8R0.9 C(CC(=O)O)C(=O)C[NH3+] CHEBI:132970 [0,0,0,0,0,1|2,0,1]=4 289 B8R0.9 C(CC(=O)O)C(C#N)N CHEBI:28474 [0,0,0,0,0,1|2,0,1]=4 290 B8R0.9 C(CC(=O)O)[C@@H](C#N)N CHEBI:50614 [0,0,0,0,0,1|2,0,1]=4 291 B8R0.9 C(CC(=O)O)[C@@H](C=O)N CHEBI:15757 [0,0,0,0,0,1|2,0,1]=4 292 B8R0.9 C(CC(=O)O)[C@H](C#N)N CHEBI:50615 [0,0,0,0,0,1|2,0,1]=4 293 B8R0.9 C=CC(CCC(=O)O)N CHEBI:63638 [0,0,0,0,0,1|1,0,2]=4 294 B8R0.9 CC(CO)OCC(C)O CHEBI:53262 [0,0,0,0,0,1|2,0,1]=4 295 B8R0.9 CCC(=O)NCC(=O)O CHEBI:89836 [0,0,0,0,0,1|1,0,1]=3 296 B8R0.9 CCC(=O)NCC(=O)[O-] CHEBI:132936 [0,0,0,0,0,1|1,0,2]=4 297 B8R0.9 CCC(C)COC(=O)C CHEBI:50585 [0,0,0,0,0,1|1,0,0]=2 298 B8R0.9 COC(=O)CCC(=O)O CHEBI:75146 [0,0,0,0,0,1|2,0,1]=4 299 B5R0.1 C#CCC(=O)O CHEBI:1461 [2,0,0,0,0,0|0,0,2]=4 300 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [2,0,0,0,0,0|1,0,1]=4 301 B5R0.1 C(C(=O)O)NO CHEBI:38049 [2,0,0,0,0,0|2,0,0]=4 302 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [2,0,0,0,0,0|1,0,1]=4 303 B5R0.1 C(CN)C(=O)N CHEBI:55360 [2,0,0,0,0,0|2,0,0]=4 304 B5R0.1 C(CN)C(=O)O CHEBI:16958 [2,0,0,0,0,0|1,0,0]=3 305 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.1 C(CO)C(=O)O CHEBI:33404 [2,0,0,0,0,0|1,0,0]=3 307 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.1 C(CS(=O)O)N CHEBI:16668 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.1 C(CS)C(=O)O CHEBI:44111 [2,0,0,0,0,0|1,0,0]=3 310 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.1 C=CCC(=O)O CHEBI:35897 [2,0,0,0,0,0|0,0,2]=4 314 B5R0.1 CC(=CC=O)C CHEBI:15825 [2,0,0,0,0,0|0,0,2]=4 315 B5R0.1 CC(=O)CCO CHEBI:41268 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.1 CC(C)CC=O CHEBI:16638 [2,0,0,0,0,0|0,0,0]=2 317 B5R0.1 CC(C)CCN CHEBI:43689 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.1 CC(C)CCO CHEBI:15837 [2,0,0,0,0,0|0,0,1]=3 319 B5R0.1 CC(C)CNO CHEBI:131928 [2,0,0,0,0,0|1,0,0]=3 320 B5R0.1 CC(C)\C=C\O CHEBI:77922 [2,0,0,0,0,0|0,0,1]=3 321 B5R0.1 CC(C)\C=N/O CHEBI:61144 [2,0,0,0,0,0|1,0,1]=4 322 B5R0.1 CC(C)\C=N\O CHEBI:17502 [2,0,0,0,0,0|1,0,1]=4 323 B5R0.1 CC(C)\C=N\O CHEBI:61143 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.1 CC(CCO)O CHEBI:52683 [2,0,0,0,0,0|1,0,1]=4 325 B5R0.1 CCCC(=O)C CHEBI:16472 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.1 CCCC(=O)N CHEBI:50724 [2,0,0,0,0,0|1,0,0]=3 327 B5R0.1 CCCC(=O)O CHEBI:30772 [2,0,0,0,0,0|0,0,0]=2 328 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [2,0,0,0,0,0|0,0,1]=3 329 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [2,0,0,0,0,0|0,0,1]=3 330 B5R0.1 CCCC(C)O CHEBI:77518 [2,0,0,0,0,0|1,0,1]=4 331 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.1 CCNC(=O)C CHEBI:87370 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 CCOC(=O)C CHEBI:27750 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.1 CCOC(=O)N CHEBI:17967 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.1 CCOC(=O)O CHEBI:50849 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.1 CCOP(=O)O CHEBI:40926 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.1 CN(C)CCO CHEBI:271436 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.1 CNCC(=O)O CHEBI:15611 [2,0,0,0,0,0|1,0,0]=3 339 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [2,0,0,0,0,0|1,0,1]=4 340 B5R0.1 COCC(=O)O CHEBI:132098 [2,0,0,0,0,0|1,0,0]=3 341 B5R0.1 COCC(=O)[O-] CHEBI:132096 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.1 COCC(=O)[O-] CHEBI:132097 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.1 CSCC(=O)O CHEBI:47870 [2,0,0,0,0,0|1,0,0]=3 344 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.1 C[C@H](CCO)O CHEBI:52687 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.1 C[S+](C)CCO CHEBI:63035 [2,0,0,0,0,0|1,0,1]=4 350 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [2,0,0,0,0,0|0,0,2]=4 351 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [2,0,0,0,0,0|0,0,2]=4 352 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [2,0,0,0,0,0|0,0,2]=4 353 B5R0.1 [*]C(=O)OCC CHEBI:13209 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.2 C(CC=O)CN CHEBI:17769 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.2 C(CC=O)C[NH3+] CHEBI:58264 [2,0,0,0,0,0|1,0,0]=3 356 B5R0.2 C(CCCl)CO CHEBI:87310 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.2 C(CCO)CO CHEBI:41189 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.2 CCCCC=C CHEBI:24579 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.2 CCCCC=O CHEBI:84069 [2,0,0,0,0,0|0,0,0]=2 360 B5R0.2 CCCCCC CHEBI:29021 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.2 CCCCCN CHEBI:74848 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.2 CCCCCO CHEBI:44884 [2,0,0,0,0,0|0,0,1]=3 363 B5R0.2 CCCCNC CHEBI:59019 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.2 CCC\C=N\O CHEBI:59012 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.2 CCOCCO CHEBI:46788 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.2 CC\C=C\C=O CHEBI:61722 [2,0,0,0,0,0|0,0,2]=4 367 B5R0.2 CSCCC=O CHEBI:49017 [2,0,0,0,0,0|1,0,0]=3 368 B5R0.2 CSCCCO CHEBI:49019 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.3 C(C(C=O)O)O CHEBI:15693 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.3 C(C(C=O)O)O CHEBI:5445 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.3 C(C(CBr)O)O CHEBI:18719 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.3 C(C(CCl)O)O CHEBI:18721 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.3 C(C(CO)O)O CHEBI:17522 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.3 C(C(CO)O)O CHEBI:17754 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.3 C(C(CS)O)O CHEBI:74537 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.3 C(C(CS)S)O CHEBI:64198 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.3 C([C@@H](C=O)O)O CHEBI:27975 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.3 C([C@H](C=O)O)O CHEBI:17378 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.3 C([C@H](CCl)O)O CHEBI:18663 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.3 C([C@H](CS)O)O CHEBI:45619 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.3 CCC(C)C#N CHEBI:61669 [2,0,0,0,0,0|1,0,1]=4 382 B5R0.3 CCC(C)C=O CHEBI:16182 [2,0,0,0,0,0|0,0,0]=2 383 B5R0.3 CCC(C)CO CHEBI:48945 [2,0,0,0,0,0|0,0,0]=2 384 B5R0.3 CCC(C)NC CHEBI:84267 [2,0,0,0,0,0|1,0,1]=4 385 B5R0.3 CCC(CC)N CHEBI:84248 [2,0,0,0,0,0|1,0,1]=4 386 B5R0.3 CCC(CC)O CHEBI:77519 [2,0,0,0,0,0|1,0,1]=4 387 B5R0.3 CCC(CO)O CHEBI:52682 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [2,0,0,0,0,0|2,0,0]=4 389 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [2,0,0,0,0,0|0,0,0]=2 390 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.3 CC[C@H](C)CO CHEBI:50625 [2,0,0,0,0,0|0,0,0]=2 392 B5R0.3 CC[C@H](CO)O CHEBI:52685 [2,0,0,0,0,0|1,0,0]=3 393 B7R0.5 CC(C)C(C)CC=C CHEBI:87517 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.7 C(CO)C(CCO)O CHEBI:131187 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.7 CCCC(C)CCC CHEBI:67193 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.7 CCCC(CCO)S CHEBI:77690 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O CHEBI:21288 [1,1,0,0,0,0|2,0,0]=4 398 B7R0.10 C([C@@H]([C@H](C=O)O)O)O CHEBI:21405 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.10 C([C@H]([C@@H](C=O)O)O)O CHEBI:28587 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.10 C([C@H]([C@H](C=O)O)O)O CHEBI:27904 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.11 CCCC(C)(C)CC CHEBI:132182 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.12 CCC(CC)CC=C CHEBI:87523 [1,1,0,0,0,0|1,0,0]=3 403 B7R0.12 CCN(CC)CCO CHEBI:52153 [1,1,0,0,0,0|1,0,1]=4 404 B7R0.9 CC(=O)CC(C)(C)O CHEBI:55381 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.9 CC(=O)CC(C)(C)S CHEBI:77856 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.9 CC(C)(C)CC(=O)O CHEBI:38647 [1,1,0,0,0,0|0,0,0]=2 407 B7R0.9 CC(C)(CC(=O)O)O CHEBI:37084 [1,1,0,0,0,0|0,0,0]=2 408 B7R0.9 CC(C)(CC(=O)[O-])O CHEBI:82957 [1,1,0,0,0,0|0,0,1]=3 409 B7R0.9 CC(C)OP(=O)(O)O CHEBI:44052 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.9 CC(CC(C)(C)O)O CHEBI:62995 [1,1,0,0,0,0|1,0,1]=4 411 B7R0.9 CC(CP(=O)(O)O)O CHEBI:1171 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.9 C[C@@H](CC(C)(C)O)O CHEBI:44224 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.9 C[C@@H](CP(=O)(O)O)O CHEBI:45410 [1,1,0,0,0,0|2,0,0]=4 414 B7R0.9 C[C@@H](CP(=O)(O)[O-])O CHEBI:62246 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.9 C[N+](C)(C)CC(=O)O CHEBI:41139 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.9 C[N+](C)(C)CC(=O)[O-] CHEBI:17750 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.9 C[N+](C)(C)CC(=O)[O-] CHEBI:91242 [1,1,0,0,0,0|1,0,1]=4 418 B7R0.16 CC(=C(C(=O)O)O)C CHEBI:132177 [1,1,0,0,0,0|0,0,2]=4 419 B7R0.16 CC(=O)C(C(=O)O)N CHEBI:17844 [1,1,0,0,0,0|1,0,1]=4 420 B7R0.16 CC(=O)[C@@H](C(=O)O)N CHEBI:40673 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.16 CC(C(=O)C)C(=O)O CHEBI:37079 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.16 CC(C(C(=O)O)N)O CHEBI:38263 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.16 CC(C(C(=O)O)O)O CHEBI:86347 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.16 CC(C(C)O)C(=O)O CHEBI:37051 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.16 CC(C(C)O)C(=O)[O-] CHEBI:78554 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.16 CC(C)C(=O)C(=O)O CHEBI:16530 [1,1,0,0,0,0|0,0,1]=3 427 B7R0.16 CC(C)C(=O)C(=O)[O-] CHEBI:11851 [1,1,0,0,0,0|0,0,2]=4 428 B7R0.16 CC(C)C(C(=O)O)N CHEBI:27266 [1,1,0,0,0,0|0,0,0]=2 429 B7R0.16 CC(C)C(C(=O)O)O CHEBI:60645 [1,1,0,0,0,0|0,0,0]=2 430 B7R0.16 CC(C)C(C(=O)O)[NH3+] CHEBI:32860 [1,1,0,0,0,0|0,0,0]=2 431 B7R0.16 CC(C)C(C(=O)[O-])N CHEBI:32859 [1,1,0,0,0,0|0,0,1]=3 432 B7R0.16 CC(C)C(C(=O)[O-])O CHEBI:64669 [1,1,0,0,0,0|0,0,1]=3 433 B7R0.16 CC(C)C(C)C(=O)O CHEBI:38650 [1,1,0,0,0,0|0,0,0]=2 434 B7R0.16 CC(C)[C@@H](C(=O)O)N CHEBI:16414 [1,1,0,0,0,0|0,0,0]=2 435 B7R0.16 CC(C)[C@@H](C(=O)O)O CHEBI:60631 [1,1,0,0,0,0|0,0,0]=2 436 B7R0.16 CC(C)[C@@H](C(=O)O)[NH3+] CHEBI:32852 [1,1,0,0,0,0|0,0,0]=2 437 B7R0.16 CC(C)[C@@H](C(=O)[O-])N CHEBI:32851 [1,1,0,0,0,0|0,0,1]=3 438 B7R0.16 CC(C)[C@@H](C(=O)[O-])O CHEBI:744019 [1,1,0,0,0,0|0,0,1]=3 439 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] CHEBI:57762 [1,1,0,0,0,0|0,0,1]=3 440 B7R0.16 CC(C)[C@H](C(=O)O)N CHEBI:27477 [1,1,0,0,0,0|0,0,0]=2 441 B7R0.16 CC(C)[C@H](C(=O)O)O CHEBI:46415 [1,1,0,0,0,0|0,0,0]=2 442 B7R0.16 CC(C)[C@H](C(=O)O)[NH3+] CHEBI:32856 [1,1,0,0,0,0|0,0,0]=2 443 B7R0.16 CC(C)[C@H](C(=O)[O-])N CHEBI:32855 [1,1,0,0,0,0|0,0,1]=3 444 B7R0.16 CC(C)[C@H](C(=O)[O-])[NH3+] CHEBI:74338 [1,1,0,0,0,0|0,0,1]=3 445 B7R0.16 C[C@@H](C(=O)O)N(C)C CHEBI:77042 [1,1,0,0,0,0|1,0,0]=3 446 B7R0.16 C[C@@H](C(C)C)C(=O)O CHEBI:38652 [1,1,0,0,0,0|0,0,0]=2 447 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O CHEBI:28718 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.16 C[C@@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:58585 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O CHEBI:16398 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.16 C[C@@H]([C@H](C(=O)O)[NH3+])O CHEBI:32828 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.16 C[C@@H]([C@H](C(=O)[O-])N)O CHEBI:32827 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.16 C[C@@H]([C@H](C(=O)[O-])[NH3+])O CHEBI:57757 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.16 C[C@@H]([C@H](C)O)C(=O)O CHEBI:37052 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.16 C[C@@H]([C@H](C)O)C(=O)[O-] CHEBI:78559 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.16 C[C@H](C(C)C)C(=O)O CHEBI:38651 [1,1,0,0,0,0|0,0,0]=2 456 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CHEBI:16857 [1,1,0,0,0,0|1,0,0]=3 457 B7R0.16 C[C@H]([C@@H](C(=O)O)O)O CHEBI:86391 [1,1,0,0,0,0|1,0,0]=3 458 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH3+])O CHEBI:32822 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.16 C[C@H]([C@@H](C(=O)[O-])N)O CHEBI:32820 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:57926 [1,1,0,0,0,0|1,0,1]=4 461 B7R0.16 C[C@H]([C@H](C(=O)N)O)O CHEBI:28598 [1,1,0,0,0,0|2,0,0]=4 462 B7R0.16 C[C@H]([C@H](C(=O)O)N)O CHEBI:32826 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.16 C[C@H]([C@H](C(=O)[O-])[NH3+])O CHEBI:58645 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.16 [13CH3][13CH]([13CH3])[13C@@H]([13C](=O)O)[15NH2] CHEBI:87977 [1,1,0,0,0,0|0,0,0]=2 465 B7R0.4 C#CCCCC(=O)O CHEBI:73511 [1,1,0,0,0,0|0,0,1]=3 466 B7R0.4 C(C#N)NCC(=O)O CHEBI:71209 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.4 C(CC=O)CC(=O)O CHEBI:39153 [1,1,0,0,0,0|0,0,1]=3 468 B7R0.4 C(CC=O)CC(=O)[O-] CHEBI:16120 [1,1,0,0,0,0|0,0,2]=4 469 B7R0.4 C(CCCl)CC(=O)O CHEBI:60701 [1,1,0,0,0,0|0,0,0]=2 470 B7R0.4 C(CCN)CC(=O)N CHEBI:18120 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.4 C(CCN)CC(=O)O CHEBI:15887 [1,1,0,0,0,0|0,0,0]=2 472 B7R0.4 C(CCN)CC(=O)[O-] CHEBI:86394 [1,1,0,0,0,0|0,0,1]=3 473 B7R0.4 C(CCO)CC(=O)O CHEBI:45564 [1,1,0,0,0,0|0,0,0]=2 474 B7R0.4 C(CCO)CC(=O)[O-] CHEBI:16230 [1,1,0,0,0,0|0,0,1]=3 475 B7R0.4 C(CC[NH3+])CC(=O)N CHEBI:58382 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.4 C(CC[NH3+])CC(=O)[O-] CHEBI:356010 [1,1,0,0,0,0|0,0,1]=3 477 B7R0.4 CC(=O)NCCCN CHEBI:35414 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.4 CC(=O)NCCC[NH3+] CHEBI:70988 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.4 CCCCCC(=O)C CHEBI:5672 [1,1,0,0,0,0|1,0,0]=3 480 B7R0.4 CCCCCC(=O)O CHEBI:30776 [1,1,0,0,0,0|0,0,0]=2 481 B7R0.4 CCCCCC(=O)[O-] CHEBI:114126 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.4 CCCCCC(=O)[O-] CHEBI:17120 [1,1,0,0,0,0|0,0,1]=3 483 B7R0.4 CCCCC[C@H](C)O CHEBI:87378 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.4 CCCCOC(=O)C CHEBI:31328 [1,1,0,0,0,0|1,0,0]=3 485 B7R0.4 CCC\C=C\C(=O)O CHEBI:61206 [1,1,0,0,0,0|0,0,1]=3 486 B7R0.4 CCC\C=C\C(=O)O CHEBI:87721 [1,1,0,0,0,0|0,0,1]=3 487 B7R0.4 CCC\C=C\C(=O)[O-] CHEBI:87722 [1,1,0,0,0,0|0,0,2]=4 488 B7R0.4 CC\C=C/CC(=O)O CHEBI:49284 [1,1,0,0,0,0|0,0,1]=3 489 B7R0.4 CC\C=C\CC(=O)C CHEBI:87582 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.4 CC\C=C\CC(=O)O CHEBI:49283 [1,1,0,0,0,0|0,0,1]=3 491 B7R0.4 CC\C=C\CC(=O)O CHEBI:49285 [1,1,0,0,0,0|0,0,1]=3 492 B7R0.4 CNCCCC(=O)O CHEBI:37755 [1,1,0,0,0,0|0,0,0]=2 493 B7R0.4 CNCCCC(=O)[O-] CHEBI:20441 [1,1,0,0,0,0|0,0,1]=3 494 B7R0.4 C[NH2+]CCCC(=O)[O-] CHEBI:66882 [1,1,0,0,0,0|0,0,1]=3 495 B7R0.4 C\C=C/CCC(=O)O CHEBI:38357 [1,1,0,0,0,0|0,0,1]=3 496 B7R0.4 C\C=C\CCC(=O)O CHEBI:38355 [1,1,0,0,0,0|0,0,1]=3 497 B7R0.4 C\C=C\CCC(=O)O CHEBI:38356 [1,1,0,0,0,0|0,0,1]=3 498 B7R0.6 C(CC(=O)O)C(=O)N CHEBI:50398 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.6 C(CC(=O)O)C(=O)O CHEBI:15741 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.6 C(CC(=O)[O-])C(=O)O CHEBI:30779 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.6 C(CS(=O)O)C(=O)O CHEBI:79222 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.6 C(C[N+](=O)[O-])C(=O)O CHEBI:16348 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.6 CC(=O)CCC(=O)C CHEBI:85014 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.6 CC(=O)CCC(=O)O CHEBI:45630 [1,1,0,0,0,0|0,0,1]=3 505 B7R0.6 CC(=O)CCC(=O)[O-] CHEBI:39150 [1,1,0,0,0,0|0,0,2]=4 506 B7R0.6 CC(=O)NCC(=O)O CHEBI:40410 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.6 CC(C)CCC(=O)O CHEBI:74903 [1,1,0,0,0,0|0,0,0]=2 508 B7R0.6 CC(C)CCC(=O)[O-] CHEBI:74904 [1,1,0,0,0,0|0,0,1]=3 509 B7R0.6 CC(C)COC(=O)C CHEBI:50569 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.6 CC(C)OCC(=O)C CHEBI:87595 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.6 CC(CCC(=O)C)O CHEBI:78816 [1,1,0,0,0,0|1,0,0]=3 512 B7R0.6 CC(CCC(C)O)O CHEBI:84894 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.6 C[C@H](CCC(=O)C)O CHEBI:78817 [1,1,0,0,0,0|1,0,0]=3 514 B7R0.6 C[C@H](CCC(=O)O)O CHEBI:79019 [1,1,0,0,0,0|0,0,0]=2 515 B7R0.6 C[S+](C)CCC(=O)[O-] CHEBI:16457 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.8 CCCCP(=O)(O)O CHEBI:41384 [1,1,0,0,0,0|1,0,0]=3 517 B7R0.8 CCCCS(=O)(=O)O CHEBI:61958 [1,1,0,0,0,0|1,0,0]=3 518 B7R0.8 CCCCS(=O)(=O)[O-] CHEBI:61911 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.8 CNCCP(=O)(O)O CHEBI:7328 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.8 CSCCS(=O)(=O)O CHEBI:17827 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.13 CC(CO)(C(=O)O)N CHEBI:134206 [0,1,0,0,1,0|1,0,0]=3 522 B7R0.13 CC(CO)(C(=O)O)O CHEBI:36532 [0,1,0,0,1,0|1,0,0]=3 523 B7R0.13 CC(CO)(C(=O)[O-])O CHEBI:19315 [0,1,0,0,1,0|1,0,1]=4 524 B7R0.13 CC(CO)(C(=O)[O-])[NH3+] CHEBI:58275 [0,1,0,0,1,0|1,0,1]=4 525 B7R0.13 CCC(C(=O)O)(N)O CHEBI:74821 [0,1,0,0,1,0|1,0,0]=3 526 B7R0.13 CCC(C)(C(=O)O)O CHEBI:68454 [0,1,0,0,1,0|0,0,0]=2 527 B7R0.13 CCC(C)(C)C(=O)O CHEBI:38649 [0,1,0,0,1,0|0,0,0]=2 528 B7R0.13 C[C@@](CO)(C(=O)O)N CHEBI:134205 [0,1,0,0,1,0|1,0,0]=3 529 B7R0.13 C[C@](CO)(C(=O)O)N CHEBI:74819 [0,1,0,0,1,0|1,0,0]=3 530 B7R0.15 C(C(CS)C(=O)O)S CHEBI:17919 [0,1,0,0,1,0|1,0,0]=3 531 B7R0.15 C(C(CS)C(=O)[O-])S CHEBI:58322 [0,1,0,0,1,0|1,0,1]=4 532 B7R0.15 CCC(CO)C(=O)O CHEBI:82956 [0,1,0,0,1,0|0,0,0]=2 533 B7R0.15 CCC(CO)C(=O)[O-] CHEBI:82955 [0,1,0,0,1,0|0,0,1]=3 534 B9R0.7 CC(C)C(=O)NCC(=O)O CHEBI:70979 [0,1,0,0,0,1|1,0,1]=4 535 B9R0.7 CC(CCC(=O)O)C(=O)O CHEBI:68567 [0,1,0,0,0,1|1,0,1]=4 536 B9R0.7 C[C@@H](C(=O)NCC(=O)O)N CHEBI:73757 [0,1,0,0,0,1|1,0,1]=4 537 B9R0.7 C[C@H](C(=O)NCC(=O)O)N CHEBI:73836 [0,1,0,0,0,1|1,0,1]=4 538 B9R0.7 C[C@H](C(=O)O)NCC(=O)O CHEBI:16439 [0,1,0,0,0,1|1,0,1]=4 539 B9R0.23 C([C@@H]([C@@H](CO)O)O)C(=O)O CHEBI:86350 [0,1,0,0,0,1|2,0,0]=4 540 B9R0.42 C(C(CCl)O)C(=O)C(=O)O CHEBI:74044 [0,1,0,0,0,1|2,0,0]=4 541 B9R0.42 C([C@@H](CO)O)C(=O)C(=O)O CHEBI:1060 [0,1,0,0,0,1|2,0,0]=4 542 B9R0.42 C([C@H](CO)O)C(=O)C(=O)O CHEBI:17647 [0,1,0,0,0,1|2,0,0]=4 543 B9R0.42 CC(C=O)OC(C)C(=O)O CHEBI:87268 [0,1,0,0,0,1|1,0,1]=4 544 B9R0.42 CCC(CC(=O)C(=O)O)O CHEBI:27530 [0,1,0,0,0,1|1,0,0]=3 545 B9R0.42 CCC(CC(=O)C(=O)[O-])O CHEBI:53800 [0,1,0,0,0,1|1,0,1]=4 546 B9R0.42 CC[C@@H](CC(=O)C(=O)O)O CHEBI:73151 [0,1,0,0,0,1|1,0,0]=3 547 B9R0.42 CC[C@@H](CC(=O)C(=O)[O-])O CHEBI:73142 [0,1,0,0,0,1|1,0,1]=4 548 B9R0.42 C[C@H](C[C@@H](C(=O)O)N)C=O CHEBI:43739 [0,1,0,0,0,1|1,0,1]=4 549 B9R0.48 C(CN)C(=O)NCC(=O)O CHEBI:73834 [0,1,0,0,0,1|1,0,1]=4 550 B9R0.48 CCCC(=O)NCC(=O)O CHEBI:89963 [0,1,0,0,0,1|1,0,1]=4 551 B9R0.6 C(CN)[C@@H]([C@@H](C(=O)O)N)O CHEBI:77488 [0,2,0,0,0,0|1,0,0]=3 552 B9R0.6 C(C[NH3+])[C@@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:77411 [0,2,0,0,0,0|1,0,1]=4 553 B9R0.6 C[C@H](CCN)[C@H](C(=O)O)N CHEBI:64693 [0,2,0,0,0,0|0,0,0]=2 554 B9R0.6 C[C@H](CC[NH3+])[C@H](C(=O)[O-])[NH3+] CHEBI:64642 [0,2,0,0,0,0|0,0,1]=3 555 B9R0.27 C([C@@H]([C@@H](C(=O)CO)O)O)O CHEBI:16880 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.27 C([C@@H]([C@H](C(=O)CO)O)O)O CHEBI:17399 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.27 C([C@H]([C@@H](C(=O)CO)O)O)O CHEBI:17140 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.27 C([C@H]([C@H](C(=O)CO)O)O)O CHEBI:17173 [0,2,0,0,0,0|2,0,0]=4 559 B9R0.29 CCC(C(=O)CC)C(=O)O CHEBI:131353 [0,2,0,0,0,0|1,0,1]=4 560 B9R0.29 CCC(C)C(C(=O)O)NC CHEBI:64350 [0,2,0,0,0,0|0,0,0]=2 561 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NC CHEBI:43312 [0,2,0,0,0,0|0,0,0]=2 562 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NO CHEBI:61129 [0,2,0,0,0,0|0,0,0]=2 563 B9R0.29 CC[C@H](C)[C@@H](C(=O)[O-])NO CHEBI:61131 [0,2,0,0,0,0|0,0,1]=3 564 B9R0.32 CC(C)(C=O)[C@H](C(=O)O)O CHEBI:16654 [0,2,0,0,0,0|1,0,1]=4 565 B9R0.32 CC(C)(CO)C(=O)C(=O)O CHEBI:17094 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.32 CC(C)(CO)C(C(=O)O)O CHEBI:14737 [0,2,0,0,0,0|1,0,0]=3 567 B9R0.32 CC(C)(CO)[C@H](C(=O)O)O CHEBI:18697 [0,2,0,0,0,0|1,0,0]=3 568 B9R0.32 CC(C)(CO)[C@H](C(=O)[O-])O CHEBI:15980 [0,2,0,0,0,0|1,0,1]=4 569 B9R0.32 CCC(C)(C(=O)C(=O)O)O CHEBI:28710 [0,2,0,0,0,0|0,0,1]=3 570 B9R0.32 CCC(C)(C(=O)C(=O)[O-])O CHEBI:53338 [0,2,0,0,0,0|0,0,2]=4 571 B9R0.32 CC[C@@](C)(C(=O)C(=O)O)O CHEBI:53335 [0,2,0,0,0,0|0,0,1]=3 572 B9R0.32 CC[C@@](C)(C(=O)C(=O)[O-])O CHEBI:27765 [0,2,0,0,0,0|0,0,2]=4 573 B9R0.32 CC[C@](C)(C(=O)C(=O)O)O CHEBI:34008 [0,2,0,0,0,0|0,0,1]=3 574 B9R0.32 CC[C@](C)(C(=O)C(=O)[O-])O CHEBI:49257 [0,2,0,0,0,0|0,0,2]=4 575 B9R0.32 CC[C@](C)([C@H](C(=O)O)O)O CHEBI:27512 [0,2,0,0,0,0|0,0,0]=2 576 B9R0.32 CC[C@](C)([C@H](C(=O)[O-])O)O CHEBI:49258 [0,2,0,0,0,0|0,0,1]=3 577 B9R0.79 CC(C(C(=O)O)O)C(=O)O CHEBI:25312 [0,2,0,0,0,0|1,0,1]=4 578 B9R0.79 CC(C(C(C(=O)O)O)O)O CHEBI:131364 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.79 C[C@@H]([C@@H](C(=O)O)N)C(=O)O CHEBI:47980 [0,2,0,0,0,0|1,0,1]=4 580 B9R0.79 C[C@@H]([C@@H](C(=O)O)O)C(=O)O CHEBI:28456 [0,2,0,0,0,0|1,0,1]=4 581 B9R0.79 C[C@@H]([C@H](C(=O)O)O)C(=O)O CHEBI:27394 [0,2,0,0,0,0|1,0,1]=4 582 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](C(=O)O)N CHEBI:79079 [0,2,0,0,0,0|0,0,0]=2 583 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](C(=O)[O-])[NH3+] CHEBI:78247 [0,2,0,0,0,0|0,0,1]=3 584 B9R0.79 C[C@H]([C@@H](C(=O)O)O)C(=O)O CHEBI:50787 [0,2,0,0,0,0|1,0,1]=4 585 B9R0.79 C[C@H]([C@H](C(=O)O)O)C(=O)O CHEBI:27736 [0,2,0,0,0,0|1,0,1]=4 586 B9R0.4 C(C[C@@H](CC(=O)O)N)CN CHEBI:15613 [0,2,0,0,0,0|1,0,0]=3 587 B9R0.4 C(C[C@@H](CC(=O)[O-])[NH3+])C[NH3+] CHEBI:57434 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.4 C(C[C@H](CC(=O)O)N)CN CHEBI:85040 [0,2,0,0,0,0|1,0,0]=3 589 B9R0.4 C(C[C@H](CC(=O)[O-])[NH3+])C[NH3+] CHEBI:84138 [0,2,0,0,0,0|1,0,1]=4 590 B9R0.4 CCCCC(CC(=O)O)O CHEBI:132838 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.34 CCCC(=O)OC(C)CC CHEBI:87318 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.53 C(C(CC(=O)O)N)C(=O)O CHEBI:28791 [0,2,0,0,0,0|1,0,1]=4 593 B9R0.53 CC(=O)CC(=O)CC(=O)O CHEBI:16558 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.53 CC(=O)CC(CC(=O)O)O CHEBI:37032 [0,2,0,0,0,0|1,0,0]=3 595 B9R0.53 CC(=O)CC(CC(=O)[O-])O CHEBI:20051 [0,2,0,0,0,0|1,0,1]=4 596 B9R0.53 CC(CC(=O)O)CC(=O)O CHEBI:68566 [0,2,0,0,0,0|0,0,1]=3 597 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N CHEBI:27713 [0,2,0,0,0,0|1,0,1]=4 598 B9R0.53 C[C@@H](C[C@@H](CC(=O)O)N)N CHEBI:15616 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.53 C[C@@H](C[C@@H](CC(=O)[O-])N)N CHEBI:21282 [0,2,0,0,0,0|1,0,1]=4 600 B9R0.53 C[C@@H](C[C@@H](CC(=O)[O-])[NH3+])[NH3+] CHEBI:57436 [0,2,0,0,0,0|1,0,1]=4 601 B9R0.58 CC(CC=O)(CC(=O)O)O CHEBI:17646 [0,2,0,0,0,0|0,0,1]=3 602 B9R0.58 CC(CC=O)(CC(=O)[O-])O CHEBI:58219 [0,2,0,0,0,0|0,0,2]=4 603 B9R0.58 CC(CCO)(CC(=O)O)O CHEBI:25351 [0,2,0,0,0,0|0,0,0]=2 604 B9R0.58 CC(CCO)(CC(=O)[O-])O CHEBI:25350 [0,2,0,0,0,0|0,0,1]=3 605 B9R0.58 C[C@@](CCO)(CC(=O)O)O CHEBI:17710 [0,2,0,0,0,0|0,0,0]=2 606 B9R0.58 C[C@@](CCO)(CC(=O)[O-])O CHEBI:36464 [0,2,0,0,0,0|0,0,1]=3 607 B9R0.58 C[C@](CCO)(CC(=O)O)O CHEBI:28880 [0,2,0,0,0,0|0,0,0]=2 608 B9R0.58 C[C@](CCO)(CC(=O)[O-])O CHEBI:18790 [0,2,0,0,0,0|0,0,1]=3 609 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CHEBI:31882 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.11 CC(C)(CC(=O)O)C(=O)O CHEBI:86537 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.11 CC(CC(=O)O)(C(=O)O)O CHEBI:15584 [0,2,0,0,0,0|1,0,1]=4 612 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)O CHEBI:15586 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.11 C[C@](CC(=O)O)(C(=O)O)O CHEBI:29003 [0,2,0,0,0,0|1,0,1]=4 614 B7R1.2 C1CC(=O)CC1=O CHEBI:41456 [1,0,0,1,0,0|1,0,1]=4 615 B7R1.2 CC1CCC(=C1)O CHEBI:111510 [1,0,0,1,0,0|0,0,1]=3 616 B7R1.2 CC1CCC(=O)O1 CHEBI:48569 [1,0,0,1,0,0|1,0,0]=3 617 B7R1.2 C[C@@H]1CCC(=O)O1 CHEBI:48570 [1,0,0,1,0,0|1,0,0]=3 618 B7R1.2 C[C@H]1CCC(=O)O1 CHEBI:48571 [1,0,0,1,0,0|1,0,0]=3 619 B7R1.14 C1CCS(=O)(=O)C1 CHEBI:74794 [1,0,0,1,0,0|1,0,1]=4 620 B7R1.18 C1CNC1C(=O)O CHEBI:38108 [1,0,0,1,0,0|1,0,0]=3 621 B7R1.18 C1CN[C@@H]1C(=O)O CHEBI:6198 [1,0,0,1,0,0|1,0,0]=3 622 B7R1.18 C1CN[C@H]1C(=O)O CHEBI:38109 [1,0,0,1,0,0|1,0,0]=3 623 B7R1.19 C1CC1(C(=O)O)N CHEBI:18053 [0,0,0,1,1,0|1,0,0]=3 624 B7R1.19 C1CC1(C(=O)[O-])N CHEBI:30526 [0,0,0,1,1,0|1,0,1]=4 625 B7R1.19 C1CC1(C(=O)[O-])[NH3+] CHEBI:58360 [0,0,0,1,1,0|1,0,1]=4 626 B9R1.35 C1C(CN=C1C(=O)O)O CHEBI:16352 [0,0,0,1,0,1|2,0,0]=4 627 B9R1.35 C1C(CNC1C(=O)O)O CHEBI:20392 [0,0,0,1,0,1|2,0,0]=4 628 B9R1.35 C1CC(=O)CC1C(=O)O CHEBI:71213 [0,0,0,1,0,1|1,0,1]=4 629 B9R1.35 C1CC(=O)NC1C(=O)O CHEBI:16010 [0,0,0,1,0,1|1,0,1]=4 630 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O CHEBI:18183 [0,0,0,1,0,1|1,0,1]=4 631 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CHEBI:16924 [0,0,0,1,0,1|1,0,1]=4 632 B9R1.35 C1CC(=O)OC1C(=O)O CHEBI:74524 [0,0,0,1,0,1|1,0,1]=4 633 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O CHEBI:73677 [0,0,0,1,0,1|1,0,1]=4 634 B9R1.35 C1[C@@H](CN=C1C(=O)O)O CHEBI:88149 [0,0,0,1,0,1|2,0,0]=4 635 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CHEBI:28397 [0,0,0,1,0,1|2,0,0]=4 636 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CHEBI:18095 [0,0,0,1,0,1|2,0,0]=4 637 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O CHEBI:16231 [0,0,0,1,0,1|2,0,0]=4 638 B9R1.35 C1[C@H](NCC1O)C(=O)O CHEBI:18240 [0,0,0,1,0,1|2,0,0]=4 639 B9R1.41 C1CNC(C1O)C(=O)O CHEBI:64368 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.41 C1CN[C@@H](C1O)C(=O)O CHEBI:20056 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.41 C1CN[C@@H]([C@@H]1O)C(=O)O CHEBI:55479 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O CHEBI:16889 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.41 C1CN[C@H]([C@@H]1O)C(=O)O CHEBI:70756 [0,1,0,1,0,0|1,0,0]=3 644 B9R1.41 C1CN[C@H]([C@H]1O)C(=O)O CHEBI:88157 [0,1,0,1,0,0|1,0,0]=3 645 B9R1.41 C1C[NH2+][C@@H]([C@@H]1O)C(=O)[O-] CHEBI:60041 [0,1,0,1,0,0|1,0,1]=4 646 B9R1.41 C1C[NH2+][C@@H]([C@H]1O)C(=O)[O-] CHEBI:57938 [0,1,0,1,0,0|1,0,1]=4 647 B9R1.41 C1C[NH2+][C@H]([C@H]1O)C(=O)[O-] CHEBI:87840 [0,1,0,1,0,0|1,0,1]=4 648 B9R1.41 CN1CCC[C@H]1C(=O)O CHEBI:90344 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CHEBI:41149 [0,1,0,1,0,0|0,0,2]=4 650 B9R1.41 C[NH+]1CCC[C@H]1C(=O)[O-] CHEBI:133743 [0,1,0,1,0,0|1,0,1]=4 651 B9R1.45 C=C1CC1[C@@H](C(=O)O)N CHEBI:136301 [0,1,0,1,0,0|0,0,2]=4 652 B9R1.93 CCC1CC1(C(=O)O)N CHEBI:19023 [0,1,0,1,0,0|0,0,0]=2 653 B9R1.93 CC[C@@H]1C[C@@]1(C(=O)O)N CHEBI:18508 [0,1,0,1,0,0|0,0,0]=2 654 B9R1.93 CC[C@@H]1C[C@]1(C(=O)O)N CHEBI:18511 [0,1,0,1,0,0|0,0,0]=2 655 B9R1.93 CC[C@H]1C[C@@]1(C(=O)O)N CHEBI:18509 [0,1,0,1,0,0|0,0,0]=2 656 B9R1.93 CC[C@H]1C[C@]1(C(=O)O)N CHEBI:18513 [0,1,0,1,0,0|0,0,0]=2 657 B9R1.7 CCOC1CCC(=O)O1 CHEBI:87307 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.22 C1[C@@H]([C@H](OC1=O)CO)O CHEBI:17281 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.22 C1[C@H]([C@@H](OC1=O)CO)O CHEBI:58751 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.66 CC1(CCCC(=C1)O)C CHEBI:131397 [0,1,0,1,0,0|1,0,1]=4 661 B5R0.5 C(C(=O)O)(Br)Br CHEBI:90124 [1,0,0,0,1,0|2,0,0]=4 662 B5R0.5 C(C(=O)O)(Cl)Br CHEBI:64206 [1,0,0,0,1,0|2,0,0]=4 663 B5R0.5 C(C(=O)O)(Cl)Cl CHEBI:36386 [1,0,0,0,1,0|2,0,0]=4 664 B5R0.5 C(C(=O)O)(F)F CHEBI:23716 [1,0,0,0,1,0|2,0,0]=4 665 B5R0.5 C(C(=O)O)(N)O CHEBI:38048 [1,0,0,0,1,0|2,0,0]=4 666 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [1,0,0,0,1,0|0,0,2]=4 667 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [1,0,0,0,1,0|1,0,1]=4 668 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [1,0,0,0,1,0|1,0,1]=4 669 B5R0.5 CC(=O)N(C)C CHEBI:84254 [1,0,0,0,1,0|2,0,0]=4 670 B5R0.5 CC(C(=O)C)O CHEBI:15688 [1,0,0,0,1,0|2,0,0]=4 671 B5R0.5 CC(C(=O)N)O CHEBI:75144 [1,0,0,0,1,0|2,0,0]=4 672 B5R0.5 CC(C(=O)O)N CHEBI:16449 [1,0,0,0,1,0|1,0,0]=3 673 B5R0.5 CC(C(=O)O)O CHEBI:78320 [1,0,0,0,1,0|1,0,0]=3 674 B5R0.5 CC(C(=O)O)S CHEBI:47872 [1,0,0,0,1,0|1,0,0]=3 675 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [1,0,0,0,1,0|1,0,0]=3 676 B5R0.5 CC(C(=O)[O-])N CHEBI:32439 [1,0,0,0,1,0|1,0,1]=4 677 B5R0.5 CC(C(=O)[O-])O CHEBI:24996 [1,0,0,0,1,0|1,0,1]=4 678 B5R0.5 CC(C(=O)[O-])O CHEBI:75228 [1,0,0,0,1,0|1,0,1]=4 679 B5R0.5 CC(C(=O)[O-])[NH3+] CHEBI:66916 [1,0,0,0,1,0|1,0,1]=4 680 B5R0.5 CC(C)C(=O)O CHEBI:16135 [1,0,0,0,1,0|0,0,0]=2 681 B5R0.5 CC(C)C(=O)[O-] CHEBI:48944 [1,0,0,0,1,0|0,0,1]=3 682 B5R0.5 CC(C)C(C)O CHEBI:77517 [1,0,0,0,1,0|1,0,1]=4 683 B5R0.5 CC(C)[N+](=O)[O-] CHEBI:16037 [1,0,0,0,1,0|1,0,1]=4 684 B5R0.5 CN(C)C(=O)O CHEBI:38544 [1,0,0,0,1,0|1,0,0]=3 685 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [1,0,0,0,1,0|2,0,0]=4 686 B5R0.5 C[C@@H](C(=O)N)N CHEBI:21217 [1,0,0,0,1,0|2,0,0]=4 687 B5R0.5 C[C@@H](C(=O)N)[NH3+] CHEBI:74169 [1,0,0,0,1,0|2,0,0]=4 688 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [1,0,0,0,1,0|1,0,0]=3 689 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [1,0,0,0,1,0|1,0,0]=3 690 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [1,0,0,0,1,0|1,0,0]=3 691 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [1,0,0,0,1,0|1,0,0]=3 692 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [1,0,0,0,1,0|1,0,0]=3 693 B5R0.5 C[C@@H](C(=O)[O-])Cl CHEBI:73934 [1,0,0,0,1,0|1,0,1]=4 694 B5R0.5 C[C@@H](C(=O)[O-])N CHEBI:32431 [1,0,0,0,1,0|1,0,1]=4 695 B5R0.5 C[C@@H](C(=O)[O-])O CHEBI:16651 [1,0,0,0,1,0|1,0,1]=4 696 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] CHEBI:57972 [1,0,0,0,1,0|1,0,1]=4 697 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [1,0,0,0,1,0|2,0,0]=4 698 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [1,0,0,0,1,0|1,0,0]=3 699 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [1,0,0,0,1,0|1,0,0]=3 700 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [1,0,0,0,1,0|1,0,0]=3 701 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [1,0,0,0,1,0|1,0,0]=3 702 B5R0.5 C[C@H](C(=O)[O-])N CHEBI:32435 [1,0,0,0,1,0|1,0,1]=4 703 B5R0.5 C[C@H](C(=O)[O-])O CHEBI:16004 [1,0,0,0,1,0|1,0,1]=4 704 B5R0.5 C[C@H](C(=O)[O-])[NH3+] CHEBI:57416 [1,0,0,0,1,0|1,0,1]=4 705 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [1,0,0,0,1,0|1,0,0]=3