0 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 CC(c1ccccc1)N CHEBI:670 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 CC(c1ccccc1)O CHEBI:669 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 c1cnc(cn1)C(=O)N CHEBI:45285 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.6 c1cnc(cn1)C(=O)O CHEBI:71311 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 c1cnc(cn1)C(=O)[O-] CHEBI:71266 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 CCc1ccccc1 CHEBI:16101 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 CCc1cnccn1 CHEBI:73232 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.2 CNc1ccccc1 CHEBI:15733 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 COc1ccccc1 CHEBI:16579 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 c1cc(cnc1)C#N CHEBI:86556 [1,0,0,0,0,0|0,0,2]=3 42 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [1,0,0,0,0,0|0,0,0]=1 43 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 c1cnc(cn1)C#N CHEBI:3982 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CHEBI:17064 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CHEBI:57917 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.13 c1cc(ncc1C(=O)N)N CHEBI:74514 [0,1,0,0,0,0|0,0,0]=1 82 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [0,1,0,0,0,0|0,0,0]=1 87 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [0,1,0,0,0,0|1,0,2]=4 94 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [0,1,0,0,0,0|1,0,1]=3 95 B10R1.15 c1cnccc1C(=O)NN CHEBI:6030 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.28 c1ccc(cc1)S(=O)(=O)O CHEBI:64455 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] CHEBI:64457 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.28 c1ccc(cc1)[As](=O)(O)O CHEBI:29851 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.28 c1ccc(cc1)[As](=O)(O)[O-] CHEBI:64449 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.61 Cc1c(cccn1)C(=O)N CHEBI:68440 [0,1,0,0,0,0|0,0,0]=1 103 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.61 Cc1ccccc1C(=O)[O-] CHEBI:28872 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.61 Cc1ccccc1[N+](=O)[O-] CHEBI:33098 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.61 c1cc(c(nc1)C(=O)O)O CHEBI:64342 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl CHEBI:60719 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.61 c1ccc(c(c1)C(=O)[O-])Cl CHEBI:28303 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.61 c1ccc(c(c1)C(=O)[O-])F CHEBI:27839 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.61 c1ccc(c(c1)C(=O)[O-])I CHEBI:59122 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.61 c1ccc(c(c1)C(=O)[O-])O CHEBI:30762 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.61 c1ccc(c(c1)C(=O)[O-])S CHEBI:59127 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.61 c1ccc(c(c1)C(=S)S)O CHEBI:37999 [0,1,0,0,0,0|2,1,0]=4 124 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O CHEBI:16260 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])[O-] CHEBI:57703 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.61 c1cncc(c1N)C(=O)O CHEBI:68577 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.113 C[n+]1cccc(c1)C(=O)N CHEBI:16797 [0,1,0,0,0,0|0,0,1]=2 128 B10R1.113 C[n+]1cccc(c1)C(=O)O CHEBI:50521 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] CHEBI:18123 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.113 Cc1cccc(c1)C(=O)[O-] CHEBI:28795 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] CHEBI:39931 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.113 c1c(cncc1N)C(=O)O CHEBI:68578 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.113 c1cc(cc(c1)Cl)C(=O)[O-] CHEBI:19984 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.113 c1cc(cc(c1)F)C(=O)O CHEBI:20021 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] CHEBI:28665 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] CHEBI:67123 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.113 c1cc(cc(c1)N)C(=O)O CHEBI:42682 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] CHEBI:30761 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.113 c1cc(cc(c1)O)C(=O)O CHEBI:30764 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] CHEBI:16193 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] CHEBI:34346 [0,1,0,0,0,0|3,0,0]=4 145 B8R0.7 C=C\C=C\C=C/C(=O)O CHEBI:50487 [0,0,1,0,0,0|2,0,0]=3 146 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50483 [0,0,1,0,0,0|2,0,0]=3 147 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50484 [0,0,1,0,0,0|2,0,0]=3 148 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.8 C\C=C/C=C(/C(=O)[O-])\O CHEBI:63693 [0,0,1,0,0,0|3,0,0]=4 150 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [0,0,0,0,1,0|1,0,1]=3 151 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [0,0,0,0,1,0|2,0,0]=3 152 B8R1.7 CC(=O)n1ccnc1 CHEBI:16984 [0,0,0,0,1,0|2,0,0]=3 153 B8R1.7 c1c([nH]cn1)[N+](=O)[O-] CHEBI:64635 [0,0,0,0,1,0|3,0,0]=4 154 B8R1.7 c1c(scn1)C(=O)N CHEBI:132332 [0,0,0,0,1,0|1,0,0]=2 155 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [0,0,0,0,1,0|1,0,1]=3 156 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [0,0,0,0,1,0|1,0,1]=3 157 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [0,0,0,0,1,0|1,0,1]=3 158 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [0,0,0,0,1,0|2,0,0]=3 159 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [0,0,0,0,1,0|2,0,0]=3 160 B8R1.7 c1cc(oc1)[N+](=O)[O-] CHEBI:34890 [0,0,0,0,1,0|3,0,0]=4 161 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [0,0,0,0,1,0|2,0,0]=3 162 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [0,0,0,0,1,0|2,0,0]=3 163 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] CHEBI:67135 [0,0,0,0,1,0|3,0,0]=4 164 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [0,0,0,0,1,0|2,0,0]=3 165 B8R1.7 c1cocc1C(=O)[O-] CHEBI:30847 [0,0,0,0,1,0|2,0,0]=3 166 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [0,0,0,0,0,1|2,0,1]=4 167 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [0,0,0,0,0,1|2,0,0]=3 168 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [0,0,0,0,0,1|2,0,0]=3 169 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [0,0,0,0,0,1|2,0,0]=3 170 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [0,0,0,0,0,1|2,0,1]=4 171 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [0,0,0,0,0,1|2,0,1]=4 172 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [0,0,0,0,0,1|2,0,1]=4 173 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [0,0,0,0,0,1|2,0,1]=4 174 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [0,0,0,0,0,1|2,0,1]=4 175 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [0,0,0,0,0,1|2,0,0]=3 176 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [0,0,0,0,0,1|1,0,0]=2 177 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [0,0,0,0,0,1|1,0,0]=2 178 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [0,0,0,0,0,1|2,0,0]=3 179 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [0,0,0,0,0,1|2,0,0]=3 180 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [0,0,0,0,0,1|2,0,0]=3 181 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [0,0,0,0,0,1|1,1,0]=3 182 B10R1.18 c1ccc(cc1)OP(=O)O CHEBI:91048 [0,0,0,0,0,1|3,0,0]=4 183 B7R0.1 CC\C=C\C=C\C=O CHEBI:132837 [1,0,1,0,0,0|1,0,1]=4 184 B7R0.4 C\C=C/C=C/C(=O)O CHEBI:38361 [1,0,1,0,0,0|1,0,1]=4 185 B7R0.4 C\C=C/C=C\C(=O)O CHEBI:38359 [1,0,1,0,0,0|1,0,1]=4 186 B7R0.4 C\C=C\C=C/C(=O)O CHEBI:38360 [1,0,1,0,0,0|1,0,1]=4 187 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:35962 [1,0,1,0,0,0|1,0,1]=4 188 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:38358 [1,0,1,0,0,0|1,0,1]=4 189 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:36550 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77868 [1,0,1,0,0,0|1,0,1]=4 191 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77869 [1,0,1,0,0,0|1,0,1]=4 192 B7R0.5 C=C\C=C(/C(=O)O)\O CHEBI:1113 [1,0,1,0,0,0|2,0,0]=4 193 B7R0.5 C=C\C=C(/C(=O)[O-])\O CHEBI:60886 [1,0,1,0,0,0|2,0,0]=4 194 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:18355 [1,0,1,0,0,0|2,0,0]=4 195 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:48643 [1,0,1,0,0,0|2,0,0]=4 196 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:37319 [1,0,1,0,0,0|2,0,0]=4 197 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:67152 [1,0,1,0,0,0|2,0,0]=4 198 B7R1.3 Cc1ccccc1 CHEBI:17578 [2,0,0,0,0,0|1,0,1]=4 199 B7R1.3 Cc1cccnc1 CHEBI:39922 [2,0,0,0,0,0|0,0,1]=3 200 B7R1.3 [Li]c1ccccc1 CHEBI:51470 [2,0,0,0,0,0|2,0,0]=4 201 B7R1.3 c1c(cncn1)N CHEBI:38619 [2,0,0,0,0,0|1,0,0]=3 202 B7R1.3 c1c[nH]ccc1=O CHEBI:133125 [2,0,0,0,0,0|2,0,0]=4 203 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [2,0,0,0,0,0|1,0,0]=3 204 B7R1.3 c1cc(cnc1)O CHEBI:87440 [2,0,0,0,0,0|0,0,1]=3 205 B7R1.3 c1ccc(cc1)Br CHEBI:3179 [2,0,0,0,0,0|2,0,0]=4 206 B7R1.3 c1ccc(cc1)Cl CHEBI:28097 [2,0,0,0,0,0|2,0,0]=4 207 B7R1.3 c1ccc(cc1)F CHEBI:5115 [2,0,0,0,0,0|2,0,0]=4 208 B7R1.3 c1ccc(cc1)N CHEBI:17296 [2,0,0,0,0,0|1,0,0]=3 209 B7R1.3 c1ccc(cc1)O CHEBI:15882 [2,0,0,0,0,0|1,0,1]=4 210 B7R1.3 c1ccc(cc1)S CHEBI:48498 [2,0,0,0,0,0|1,1,0]=4 211 B7R1.3 c1ccc(cc1)[Hg+] CHEBI:30787 [2,0,0,0,0,0|2,0,0]=4 212 B7R1.3 c1ccc(cc1)[Hg] CHEBI:49819 [2,0,0,0,0,0|2,0,0]=4 213 B7R1.3 c1ccc(cc1)[NH] CHEBI:48372 [2,0,0,0,0,0|1,0,1]=4 214 B7R1.3 c1ccc(cc1)[O+] CHEBI:52245 [2,0,0,0,0,0|1,0,1]=4 215 B7R1.3 c1ccc(cc1)[O-] CHEBI:50526 [2,0,0,0,0,0|1,0,1]=4 216 B7R1.3 c1ccc(cc1)[O-] CHEBI:52476 [2,0,0,0,0,0|1,0,1]=4 217 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [2,0,0,0,0,0|2,0,0]=4 218 B7R1.3 c1cnccc1N CHEBI:34385 [2,0,0,0,0,0|2,0,0]=4 219 B7R1.3 c1coccc1=O CHEBI:37966 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [1,1,0,0,0,0|1,0,0]=3 222 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [1,1,0,0,0,0|1,0,0]=3 223 B9R1.1 c1cc(ccc1NN)Cl CHEBI:53660 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.2 Cc1cccc(c1)C=O CHEBI:28476 [1,1,0,0,0,0|1,0,0]=3 225 B9R1.2 c1cc(cc(c1)O)C=O CHEBI:16207 [1,1,0,0,0,0|1,0,0]=3 226 B9R1.8 c1c(cncn1)NC=O CHEBI:35877 [1,1,0,0,0,0|1,0,0]=3 227 B9R1.8 c1cc(cnc1)\C=N\O CHEBI:86555 [1,1,0,0,0,0|0,0,1]=3 228 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,1,0,0,0,0|1,0,0]=3 229 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.15 Cc1ccccc1C=O CHEBI:27434 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [1,1,0,0,0,0|1,0,1]=4 234 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [1,1,0,0,0,0|1,0,0]=3 235 B9R1.11 CCC(=O)n1ccnc1 CHEBI:27449 [0,1,0,0,1,0|2,0,0]=4 236 B9R1.35 Cc1cc(n[nH]1)C(=O)O CHEBI:74739 [0,1,0,0,1,0|2,0,0]=4 237 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [0,1,0,0,1,0|2,0,0]=4 238 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [0,1,0,0,1,0|2,0,0]=4 239 B9R1.35 Cn1cc(cn1)C(=O)O CHEBI:74741 [0,1,0,0,1,0|2,0,0]=4 240 B9R1.35 Cn1ccc(n1)C(=O)O CHEBI:74738 [0,1,0,0,1,0|2,0,0]=4 241 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [0,1,0,0,1,0|1,0,1]=4 242 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [0,1,0,0,1,0|1,0,1]=4 243 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [0,1,0,0,1,0|2,0,0]=4 244 B9R1.41 CC(=O)c1cccn1C CHEBI:59982 [0,1,0,0,1,0|1,0,1]=4 245 B9R1.41 Cc1c(c[nH]n1)C(=O)O CHEBI:74742 [0,1,0,0,1,0|2,0,0]=4 246 B9R1.41 Cc1c(nc[nH]1)C(=O)O CHEBI:74747 [0,1,0,0,1,0|2,0,0]=4 247 B9R1.41 Cc1c[nH]nc1C(=O)O CHEBI:74740 [0,1,0,0,1,0|2,0,0]=4 248 B9R1.41 Cn1c(ccn1)C(=O)O CHEBI:74737 [0,1,0,0,1,0|2,0,0]=4 249 B9R1.41 Cn1ccnc1C(=O)O CHEBI:74743 [0,1,0,0,1,0|2,0,0]=4 250 B9R1.41 c1[nH]c(c(n1)C(=O)N)N CHEBI:2030 [0,1,0,0,1,0|1,0,0]=3 251 B9R1.41 c1[nH]c(c(n1)C(=O)N)O CHEBI:88290 [0,1,0,0,1,0|1,0,0]=3 252 B9R1.41 c1[nH]c(c(n1)C(=O)O)N CHEBI:28280 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CHEBI:29132 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CHEBI:116915 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.20 c1cc(ccc1CC(=O)[O-])Cl CHEBI:16237 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.20 c1cc(ccc1CC(=O)[O-])O CHEBI:48999 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.20 c1cc(ccc1NC(=S)N)Br CHEBI:34391 [0,1,0,0,0,1|1,1,0]=4 262 B11R1.36 CC(=O)C(=O)c1ccccc1 CHEBI:63552 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.36 CC(c1ccccc1)C(=O)O CHEBI:48526 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.36 C[C@@H](c1ccccc1)C(=O)O CHEBI:48527 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.36 C[C@H](c1ccccc1)C(=O)O CHEBI:43035 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.36 c1ccc(cc1)C(=O)C(=O)O CHEBI:18280 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.36 c1ccc(cc1)C(=O)C(=O)[O-] CHEBI:36656 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.36 c1ccc(cc1)C(C(=O)O)N CHEBI:55484 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N CHEBI:439819 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [0,1,0,0,0,1|1,0,0]=3 275 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N CHEBI:44962 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])[NH3+] CHEBI:77399 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.86 c1ccc(c(c1)CC(=O)O)O CHEBI:28478 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.86 c1ccc(c(c1)CC(=O)[O-])O CHEBI:62423 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.157 CC(=O)Nc1cccc(c1)O CHEBI:76987 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.157 CC(=O)Oc1cccc(c1)O CHEBI:29672 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.157 Cc1cccc(c1)CC(=O)O CHEBI:88356 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.157 c1cc(cc(c1)O)CC(=O)O CHEBI:17445 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.157 c1cc(cc(c1)O)CC(=O)[O-] CHEBI:58149 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.509 c1cc(cnc1)OS(=O)(=O)O CHEBI:133559 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.509 c1cc(cnc1)OS(=O)(=O)[O-] CHEBI:133560 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.3 CC(=O)c1ccc(cc1)OC CHEBI:86567 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.3 COc1ccc(cc1)C(=O)O CHEBI:40813 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.3 COc1ccc(cc1)C(=O)[O-] CHEBI:16639 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl CHEBI:28420 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O CHEBI:49644 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.3 c1cc(ccc1C(=O)[O-])[N+]#N CHEBI:64443 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N CHEBI:34435 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.19 c1cc(ccc1N)S(=O)(=O)N CHEBI:45373 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.21 CC(=O)c1ccc(c(c1)O)O CHEBI:19868 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [0,2,0,0,0,0|1,0,0]=3 298 B11R1.21 Cc1c(cc(cn1)C(=O)[O-])O CHEBI:57528 [0,2,0,0,0,0|1,0,0]=3 299 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [0,2,0,0,0,0|2,0,0]=4 300 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.21 Cc1ccc(cc1C)C(=O)[O-] CHEBI:64820 [0,2,0,0,0,0|2,0,0]=4 302 B11R1.21 Cn1cc(ccc1=O)C(=O)N CHEBI:27410 [0,2,0,0,0,0|0,0,1]=3 303 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.21 c1cc(c(cc1C(=O)[O-])Cl)Cl CHEBI:83287 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.21 c1cc(c(cc1C(=O)[O-])N)O CHEBI:60005 [0,2,0,0,0,0|2,0,0]=4 308 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O CHEBI:36241 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.22 [*]OC(=O)c1ccc(cc1)O CHEBI:79323 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.166 CC(=O)c1ccc(cc1O)O CHEBI:18414 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.166 Cc1cc(ccc1C(=O)C)O CHEBI:87314 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.166 Cc1ccc(c(c1)C)C(=O)[O-] CHEBI:64812 [0,2,0,0,0,0|2,0,0]=4 317 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O CHEBI:76793 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CHEBI:30748 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)[O-] CHEBI:28995 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CHEBI:59472 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.166 c1cc(nc(c1C(=O)O)O)O CHEBI:49087 [0,2,0,0,0,0|1,0,0]=3 324 B11R1.166 c1cc(nc(c1C(=O)[O-])O)O CHEBI:58780 [0,2,0,0,0,0|1,0,0]=3 325 B11R1.16 C=COC(=O)c1ccccc1 CHEBI:84279 [0,2,0,0,0,0|2,0,0]=4 326 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.16 c1ccc(cc1)C(=O)CC#N CHEBI:51855 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CHEBI:52091 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.222 COC(=O)c1ccccc1N CHEBI:73244 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.222 COC(=O)c1ccccc1O CHEBI:31832 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.222 c1ccc(c(c1)C(=O)NO)O CHEBI:45615 [0,2,0,0,0,0|1,0,0]=3 332 B11R1.53 CNc1ccccc1C(=O)O CHEBI:16394 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.53 CNc1ccccc1C(=O)[O-] CHEBI:36557 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.53 COc1ccccc1C(=O)O CHEBI:421840 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.53 COc1ccccc1C(=O)[O-] CHEBI:59128 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.53 c1ccc(c(c1)C(=O)O)I=O CHEBI:52698 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.53 c1ccc(c(c1)C(=O)O)NO CHEBI:25618 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.53 c1ccc(c(c1)C(=O)[O-])[N+]#N CHEBI:64432 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.53 c1ccc(c(c1)C=O)C(=O)O CHEBI:17605 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.53 c1ccc(c(c1)C=O)C(=O)[O-] CHEBI:58203 [0,2,0,0,0,0|2,0,0]=4 341 B11R1.156 Cc1cccc(c1C(=O)O)C CHEBI:64827 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.156 Cc1cccc(c1C(=O)O)O CHEBI:17637 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.156 Cc1cccc(c1C(=O)[O-])C CHEBI:64828 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.156 Cc1cccc(c1C(=O)[O-])O CHEBI:36658 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl CHEBI:28435 [0,2,0,0,0,0|1,0,0]=3 346 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl CHEBI:48623 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.156 c1cc(c(c(c1)Cl)C(=O)[O-])Cl CHEBI:48624 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O CHEBI:68465 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.156 c1cc(c(c(c1)O)C(=O)[O-])O CHEBI:131450 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.159 C1=CC(=O)C(=N)C(=C1)C(=O)O CHEBI:15953 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.159 C1=CC(=O)C(=N)C(=C1)C(=O)[O-] CHEBI:57583 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.159 Cc1cccc(c1C)C(=O)O CHEBI:64823 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.159 Cc1cccc(c1C)C(=O)[O-] CHEBI:64824 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.159 Cc1cccc(c1O)C(=O)O CHEBI:20141 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O CHEBI:15793 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.159 c1cc(c(c(c1)O)N)C(=O)[O-] CHEBI:36559 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O CHEBI:18026 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.159 c1cc(c(c(c1)O)O)C(=O)[O-] CHEBI:36654 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CHEBI:64825 [0,2,0,0,0,0|2,0,0]=4 360 B11R1.167 Cc1ccc(c(c1)C(=O)[O-])C CHEBI:64826 [0,2,0,0,0,0|2,0,0]=4 361 B11R1.167 Cn1ccc(=O)c(c1)C(=O)N CHEBI:27838 [0,2,0,0,0,0|0,0,1]=3 362 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl CHEBI:132298 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O CHEBI:420128 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.167 c1cc(c(cc1Cl)C(=O)[O-])O CHEBI:59131 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.167 c1cc(c(cc1F)C(=O)O)N CHEBI:78042 [0,2,0,0,0,0|2,0,0]=4 366 B11R1.167 c1cc(c(cc1N)C(=O)O)O CHEBI:6775 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O CHEBI:20551 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.167 c1cc(c(cc1O)C(=O)O)O CHEBI:17189 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O CHEBI:58044 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CHEBI:64821 [0,2,0,0,0,0|2,0,0]=4 371 B11R1.74 Cc1cc(cc(c1)C(=O)[O-])C CHEBI:64822 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.74 c1c(cc(cc1N)O)C(=O)O CHEBI:29507 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.74 c1c(cc(cc1N)O)C(=O)[O-] CHEBI:71959 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.74 c1c(cc(cc1O)O)C(=O)O CHEBI:39912 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.266 c1cc(cc(c1)[N+]#N)C(=O)[O-] CHEBI:64438 [0,2,0,0,0,0|2,0,0]=4 376 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [0,0,0,1,0,1|2,0,0]=4 377 B11R2.10 c1c2c(cnn1)nc([nH]2)N CHEBI:66501 [0,0,0,1,0,1|2,0,0]=4 378 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 CHEBI:38580 [0,0,0,1,0,1|0,0,0]=2 379 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [0,0,0,1,0,1|1,0,1]=4 380 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [0,0,0,1,0,1|2,0,0]=4 381 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [0,0,0,1,0,1|1,0,0]=3 382 B11R2.10 c1ccc2c(c1)[nH]c(n2)N CHEBI:27822 [0,0,0,1,0,1|2,0,0]=4 383 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [0,0,0,1,0,1|2,0,0]=4 384 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [0,1,0,1,0,0|2,0,0]=4 385 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [0,1,0,1,0,0|1,0,1]=4 386 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [0,1,0,1,0,0|1,0,0]=3 387 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,1,0,1,0,0|2,0,0]=4 388 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [0,1,0,1,0,0|1,0,0]=3 389 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [0,1,0,1,0,0|2,0,0]=4 390 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 CHEBI:167099 [0,1,0,1,0,0|1,0,0]=3 391 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [0,1,0,1,0,0|2,0,0]=4 392 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.1 c1cc([nH]c1)C=O CHEBI:59978 [1,0,0,0,1,0|0,0,1]=3 394 B7R1.1 c1cc(oc1)C=O CHEBI:34768 [1,0,0,0,1,0|1,0,0]=3 395 B7R1.1 c1cc(sc1)C=O CHEBI:87301 [1,0,0,0,1,0|1,0,0]=3 396 B7R1.1 c1cocc1C=O CHEBI:87609 [1,0,0,0,1,0|1,0,0]=3 397 B7R1.1 c1cscc1C=O CHEBI:87611 [1,0,0,0,1,0|1,0,0]=3 398 B11R1.91 CC(=O)C#Cc1ccccc1 CHEBI:51731 [0,0,0,0,0,2|2,0,0]=4 399 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [0,0,0,0,0,2|2,0,0]=4 400 B11R1.91 CC(=O)O[Hg]c1ccccc1 CHEBI:27684 [0,0,0,0,0,2|2,0,0]=4 401 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [0,0,0,0,0,2|2,0,0]=4 402 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [0,0,0,0,0,2|2,0,0]=4 403 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [0,0,0,0,0,2|2,0,0]=4 404 B11R1.91 c1ccc(cc1)C#CC(=O)O CHEBI:90355 [0,0,0,0,0,2|2,0,0]=4 405 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [0,0,0,0,0,2|2,0,0]=4 406 B11R1.91 c1ccc(cc1)CCC(=O)[O-] CHEBI:51057 [0,0,0,0,0,2|2,0,0]=4 407 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [0,0,0,0,0,2|2,0,0]=4 408 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [0,0,0,0,0,2|2,0,0]=4 409 B11R1.91 c1ccc(cc1)OCC(=O)[O-] CHEBI:38846 [0,0,0,0,0,2|2,0,0]=4 410 B11R1.91 c1ccc(cc1)\C=C/C(=O)N CHEBI:76321 [0,0,0,0,0,2|1,0,0]=3 411 B11R1.91 c1ccc(cc1)\C=C/C(=O)O CHEBI:35699 [0,0,0,0,0,2|2,0,0]=4 412 B11R1.91 c1ccc(cc1)\C=C/C(=O)[O-] CHEBI:35700 [0,0,0,0,0,2|2,0,0]=4 413 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:23246 [0,0,0,0,0,2|1,0,0]=3 414 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:76320 [0,0,0,0,0,2|1,0,0]=3 415 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:27386 [0,0,0,0,0,2|2,0,0]=4 416 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:35697 [0,0,0,0,0,2|2,0,0]=4 417 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:15669 [0,0,0,0,0,2|2,0,0]=4 418 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:23248 [0,0,0,0,0,2|2,0,0]=4