0 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.1 Cc1ccc(cc1)N=C=O CHEBI:53732 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.1 c1cc(ccc1CC#N)Cl CHEBI:17346 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [0,0,0,0,0,0|0,0,2]=2 7 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [0,0,0,0,0,0|0,0,1]=1 11 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [1,0,0,0,0,0|0,0,2]=3 12 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [1,0,0,0,0,0|0,0,2]=3 20 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.1 c1cc(ccc1NN)Cl CHEBI:53660 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CCCc1ccccc1 CHEBI:42630 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [1,0,0,0,0,0|0,0,2]=3 27 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [1,0,0,0,0,0|0,0,1]=2 31 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.1 CNCCc1ccc(cc1)O CHEBI:17458 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.1 C[NH2+]CCc1ccc(cc1)O CHEBI:58155 [0,1,0,0,0,0|0,0,1]=2 38 B11R1.1 c1cc(ccc1C\C=N/O)O CHEBI:15667 [0,1,0,0,0,0|0,0,2]=3 39 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15665 [0,1,0,0,0,0|0,0,2]=3 40 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15666 [0,1,0,0,0,0|0,0,2]=3 41 B11R1.1 c1cc(ccc1\C=C\C=O)O CHEBI:28353 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.1 c1cc(ccc1\C=C\CO)O CHEBI:28386 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.1 c1cc(ccc1\C=C\CO)O CHEBI:64555 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.20 c1cc(ccc1CC(=O)[O-])Cl CHEBI:16237 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.20 c1cc(ccc1CC(=O)[O-])O CHEBI:48999 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.20 c1cc(ccc1NC(=S)N)Br CHEBI:34391 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.22 [*]OC(=O)c1ccc(cc1)O CHEBI:79323 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.22 c1cc(ccc1C(C#N)O)O CHEBI:18115 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [0,1,0,0,0,0|0,0,1]=2 58 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O CHEBI:16660 [0,1,0,0,0,0|0,0,2]=3 59 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,1,0,0,0,0|0,0,0]=1 60 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.83 COc1ccc(cc1)CCN CHEBI:266039 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.83 C\C=C/c1ccc(cc1)OC CHEBI:78412 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.83 C\C=C\c1ccc(cc1)OC CHEBI:2716 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.83 C\C=C\c1ccc(cc1)OC CHEBI:35616 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.192 C1=CC(=O)C(=O)C=C1CCN CHEBI:74684 [0,1,0,0,0,0|0,0,1]=2 66 B11R1.192 c1cc(c(cc1CC=O)O)O CHEBI:27978 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.192 c1cc(c(cc1CCN)O)O CHEBI:18243 [0,1,0,0,0,0|0,0,0]=1 68 B11R1.192 c1cc(c(cc1CCO)O)O CHEBI:68889 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.192 c1cc(c(cc1CC[NH3+])O)O CHEBI:59905 [0,1,0,0,0,0|0,0,1]=2 70 B11R2.34 c1cc(ccc1C2CC2)Br CHEBI:87498 [0,0,0,1,0,0|2,0,0]=3 71 B11R2.36 c1cc2c(cc1O)CCC2 CHEBI:59311 [0,0,0,1,0,0|1,0,0]=2 72 B11R2.36 c1cc2c(cc[nH]2)cc1O CHEBI:89649 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.7 Cc1[nH]c(cn1)CCN CHEBI:74761 [0,0,0,0,1,0|3,0,0]=4 74 B9R1.7 Cn1cc(nc1)CCN CHEBI:29009 [0,0,0,0,1,0|3,0,0]=4 75 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [2,0,0,0,0,0|0,0,2]=4 76 B8R1.2 CCc1ccccc1 CHEBI:16101 [2,0,0,0,0,0|0,0,0]=2 77 B8R1.2 CCc1cnccn1 CHEBI:73232 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 CNc1ccccc1 CHEBI:15733 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.2 COc1ccccc1 CHEBI:16579 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [2,0,0,0,0,0|1,0,1]=4 81 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [2,0,0,0,0,0|0,0,2]=4 83 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [2,0,0,0,0,0|0,0,0]=2 87 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [2,0,0,0,0,0|0,0,1]=3 89 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [2,0,0,0,0,0|1,0,0]=3 91 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [2,0,0,0,0,0|1,0,1]=4 97 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [2,0,0,0,0,0|0,0,2]=4 100 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [2,0,0,0,0,0|1,0,1]=4 101 B8R1.3 C=C1C=CC(=N)C=C1 CHEBI:52416 [2,0,0,0,0,0|1,0,1]=4 102 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [2,0,0,0,0,0|0,0,2]=4 103 B8R1.3 C=c1ccc(=C)cc1 CHEBI:52410 [2,0,0,0,0,0|1,0,1]=4 104 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [2,0,0,0,0,0|1,0,0]=3 105 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [2,0,0,0,0,0|1,0,0]=3 106 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [2,0,0,0,0,0|0,0,0]=2 107 B8R1.3 c1cc(ccc1Br)Br CHEBI:37150 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.3 c1cc(ccc1Cl)Cl CHEBI:28618 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.3 c1cc(ccc1F)F CHEBI:38585 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.3 c1cc(ccc1N)Cl CHEBI:20331 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.3 c1cc(ccc1N)F CHEBI:28546 [2,0,0,0,0,0|1,0,0]=3 112 B8R1.3 c1cc(ccc1N)N CHEBI:51403 [2,0,0,0,0,0|1,0,0]=3 113 B8R1.3 c1cc(ccc1N)O CHEBI:17602 [2,0,0,0,0,0|0,0,0]=2 114 B8R1.3 c1cc(ccc1O)Br CHEBI:47248 [2,0,0,0,0,0|1,0,0]=3 115 B8R1.3 c1cc(ccc1O)Cl CHEBI:28078 [2,0,0,0,0,0|1,0,0]=3 116 B8R1.3 c1cc(ccc1O)I CHEBI:43521 [2,0,0,0,0,0|1,0,0]=3 117 B8R1.3 c1cc(ccc1O)O CHEBI:17594 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.3 c1cc(ccc1O)O CHEBI:26491 [2,0,0,0,0,0|1,0,0]=3 119 B8R1.3 c1cc(ccc1O)[O] CHEBI:17977 [2,0,0,0,0,0|1,0,0]=3 120 B8R1.3 c1cc(ncc1O)O CHEBI:16364 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.3 COc1ccc(cc1)CN CHEBI:49837 [1,1,0,0,0,0|0,0,0]=2 122 B10R1.3 c1cc(ccc1CO)NN CHEBI:16131 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [1,1,0,0,0,0|0,0,1]=3 124 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [1,1,0,0,0,0|0,0,0]=2 126 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.25 Cc1cc(ccc1SC)O CHEBI:38681 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.25 c1cc(c(cc1Cl)Cl)CO CHEBI:48220 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.25 c1cc(c(cc1O)O)C=O CHEBI:50198 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.176 c1c(occ(c1=O)O)CO CHEBI:43572 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.176 c1cc(c(cc1C=O)N)O CHEBI:78237 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.176 c1cc(c(cc1C=O)O)O CHEBI:50205 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.4 Cc1ccccc1CC#N CHEBI:27982 [1,1,0,0,0,0|0,0,2]=4 141 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [1,1,0,0,0,0|0,0,2]=4 150 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [1,1,0,0,0,0|0,0,2]=4 151 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [1,1,0,0,0,0|0,0,0]=2 152 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [1,1,0,0,0,0|0,0,1]=3 153 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [1,1,0,0,0,0|0,0,2]=4 154 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [1,1,0,0,0,0|0,0,2]=4 155 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.17 CNCCc1ccccn1 CHEBI:35677 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [1,1,0,0,0,0|0,0,1]=3 158 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.17 c1ccc(cc1)CSC#N CHEBI:16017 [1,1,0,0,0,0|0,0,2]=4 161 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [1,1,0,0,0,0|0,0,2]=4 162 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [1,1,0,0,0,0|0,0,2]=4 163 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [1,1,0,0,0,0|0,0,2]=4 164 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [1,1,0,0,0,0|0,0,0]=2 171 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [1,1,0,0,0,0|0,0,0]=2 172 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [1,1,0,0,0,0|0,0,0]=2 173 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [1,1,0,0,0,0|0,0,0]=2 174 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [1,1,0,0,0,0|0,0,0]=2 175 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,1,0,0,0,0|0,0,1]=3 176 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.16 CCOC(=O)c1ccc(cc1)O CHEBI:31575 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.16 CNCC(c1ccc(cc1)O)O CHEBI:29081 [0,2,0,0,0,0|0,0,0]=2 181 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O CHEBI:119 [0,2,0,0,0,0|0,0,0]=2 182 B12R1.16 CNC[C@H](c1ccc(cc1)O)O CHEBI:33016 [0,2,0,0,0,0|0,0,0]=2 183 B12R1.16 C[NH2+]CC(c1ccc(cc1)O)O CHEBI:58606 [0,2,0,0,0,0|0,0,1]=3 184 B12R1.16 C[NH2+]C[C@@H](c1ccc(cc1)O)O CHEBI:63694 [0,2,0,0,0,0|0,0,1]=3 185 B12R1.21 CC(=O)CCc1ccc(cc1)O CHEBI:68656 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.21 CN(C)CCc1ccc(cc1)O CHEBI:5764 [0,2,0,0,0,0|0,0,0]=2 187 B12R1.21 c1cc(ccc1CCC(=O)O)O CHEBI:32980 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.21 c1cc(ccc1CCC(=O)[O-])O CHEBI:16331 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.21 c1cc(ccc1NCC(=O)O)O CHEBI:55443 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.49 COC(=O)Cc1ccc(cc1)O CHEBI:68078 [0,2,0,0,0,0|1,0,1]=4 191 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC CHEBI:76833 [0,2,0,0,0,0|0,0,0]=2 192 B12R1.71 CNCCc1ccc(cc1)OC CHEBI:75143 [0,2,0,0,0,0|0,0,0]=2 193 B12R1.385 c1cc(c(cc1\C=C\CO)O)O CHEBI:31334 [0,2,0,0,0,0|1,0,1]=4 194 B12R1.385 c1cc(c(cc1\C=C\CO)O)O CHEBI:86071 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.4 COc1ccc(cc1)CC(=O)O CHEBI:55501 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O CHEBI:47106 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.19 c1cc(c(cc1CC(=O)O)O)O CHEBI:41941 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.19 c1cc(c(cc1CC(=O)[O-])O)O CHEBI:17612 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.20 c1cc(ccc1C(C(=O)N)N)O CHEBI:58991 [0,2,0,0,0,0|0,0,1]=3 200 B12R1.20 c1cc(ccc1C(C(=O)O)N)O CHEBI:50418 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.20 c1cc(ccc1C(C(=O)O)O)O CHEBI:16388 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.20 c1cc(ccc1C(C(=O)[O-])O)O CHEBI:32804 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O CHEBI:31755 [0,2,0,0,0,0|1,0,1]=4 204 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O CHEBI:32802 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.20 c1cc(ccc1[C@@H](C(=O)[O-])O)O CHEBI:17210 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O CHEBI:15695 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)O CHEBI:32803 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])O)O CHEBI:27996 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])[NH3+])O CHEBI:57475 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O CHEBI:51844 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.367 c1cc(c(cc1C(C=O)O)O)O CHEBI:27852 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.367 c1cc(c(cc1C(CN)O)O)O CHEBI:33569 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.367 c1cc(c(cc1C(CO)O)O)O CHEBI:1387 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.367 c1cc(c(cc1[C@@H](CN)O)O)O CHEBI:33571 [0,2,0,0,0,0|0,0,0]=2 215 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O CHEBI:18357 [0,2,0,0,0,0|0,0,0]=2 216 B12R1.367 c1cc(c(cc1[C@H](C[NH3+])O)O)O CHEBI:72587 [0,2,0,0,0,0|0,0,1]=3 217 B12R1.1123 c1c(c(cc(c1O)O)O)CCN CHEBI:78741 [0,2,0,0,0,0|0,0,0]=2 218 B12R1.286 COc1cc(ccc1O)CC=C CHEBI:4917 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.286 COc1cc(ccc1O)CC=O CHEBI:28111 [0,2,0,0,0,0|1,0,1]=4 220 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [1,0,0,1,0,0|1,0,0]=3 221 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [1,0,0,1,0,0|1,0,0]=3 222 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [1,0,0,1,0,0|1,0,0]=3 223 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [1,0,0,1,0,0|1,0,1]=4 224 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [1,0,0,1,0,0|1,0,1]=4 225 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,1,0,0|1,0,1]=4 226 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,1,0,0|0,0,2]=4 227 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [1,0,0,1,0,0|1,0,0]=3 228 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [1,0,0,1,0,0|0,0,0]=2 229 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [1,0,0,1,0,0|1,0,0]=3 230 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,1,0,0|2,0,0]=4 231 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [1,0,0,1,0,0|2,0,0]=4 232 B10R2.7 c1ccc2c(c1)OCO2 CHEBI:38732 [1,0,0,1,0,0|2,0,0]=4 233 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [1,0,0,1,0,0|1,0,1]=4 234 B10R2.7 c1ccc2c(c1)[nH]nn2 CHEBI:75331 [1,0,0,1,0,0|2,0,0]=4 235 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [1,0,0,1,0,0|0,0,2]=4 236 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [1,0,0,1,0,0|1,0,1]=4 237 B12R2.24 c1cc2c(cc1O)CCCC2 CHEBI:34448 [0,1,0,1,0,0|1,0,0]=3 238 B12R2.24 c1cc2c(cc1O)CCCO2 CHEBI:78631 [0,1,0,1,0,0|1,0,0]=3 239 B12R2.100 c1c2c(cc(c1O)O)NCC2 CHEBI:74683 [0,1,0,1,0,0|0,0,0]=2 240 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O CHEBI:27404 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.8 c1c(nc[nH]1)CCN CHEBI:18295 [1,0,0,0,1,0|2,0,0]=4 242 B8R1.8 c1c(nc[nH]1)CCN CHEBI:51193 [1,0,0,0,1,0|2,0,0]=4 243 B8R1.8 c1c[nH]nc1CCN CHEBI:31280 [1,0,0,0,1,0|2,0,0]=4 244 B8R1.8 c1c[nH]nc1CCN CHEBI:59170 [1,0,0,0,1,0|2,0,0]=4