0 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 c1cnccc1C(=O)NN CHEBI:6030 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [1,0,0,0,0,0|0,0,0]=1 21 B9R1.6 CC(c1ccccc1)N CHEBI:670 [1,0,0,0,0,0|0,0,0]=1 22 B9R1.6 CC(c1ccccc1)O CHEBI:669 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [1,0,0,0,0,0|0,0,0]=1 26 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [1,0,0,0,0,0|0,0,0]=1 28 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 CCCc1ccccc1 CHEBI:42630 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [1,0,0,0,0,0|0,0,2]=3 47 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [1,0,0,0,0,0|0,0,0]=1 49 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [1,0,0,0,0,0|0,0,1]=2 51 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.7 CC(C)(c1ccccc1)OO CHEBI:78673 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.7 CC(CO)(c1ccccc1)O CHEBI:131360 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.16 C=CCC(c1ccccc1)O CHEBI:131375 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.16 CNCC(c1ccccc1)O CHEBI:16913 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.16 C[NH2+]CC(c1ccccc1)O CHEBI:57946 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.16 c1ccc(cc1)C(=O)CC#N CHEBI:51855 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.22 c1cc(ccc1C(C#N)O)O CHEBI:18115 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O CHEBI:16660 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.36 CC(C(=O)c1ccccc1)N CHEBI:59332 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.36 CC(c1ccccc1)C(=O)O CHEBI:48526 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.36 C[C@@H](C(=O)c1ccccc1)N CHEBI:4110 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.36 C[C@@H](c1ccccc1)C(=O)O CHEBI:48527 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.36 C[C@H](c1ccccc1)C(=O)O CHEBI:43035 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.36 c1ccc(cc1)C(C(=O)O)N CHEBI:55484 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N CHEBI:439819 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N CHEBI:44962 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])[NH3+] CHEBI:77399 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.222 CCC(C)c1ccccc1O CHEBI:34303 [0,1,0,0,0,0|1,0,0]=2 89 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [0,0,0,1,0,0|0,0,2]=3 90 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [0,0,0,1,0,0|1,0,1]=3 91 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [0,0,0,1,0,0|2,0,0]=3 93 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [0,0,0,1,0,0|1,0,2]=4 94 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [0,0,0,1,0,0|1,0,2]=4 95 B11R2.4 c1ccc(cc1)C2CC2N CHEBI:131512 [0,0,0,1,0,0|0,0,0]=1 96 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131510 [0,0,0,1,0,0|0,0,0]=1 97 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131514 [0,0,0,1,0,0|0,0,0]=1 98 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2[NH3+] CHEBI:131517 [0,0,0,1,0,0|0,0,1]=2 99 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131511 [0,0,0,1,0,0|0,0,0]=1 100 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131516 [0,0,0,1,0,0|0,0,0]=1 101 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] CHEBI:131520 [0,0,0,1,0,0|0,0,1]=2 102 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:35340 [0,0,0,0,0,1|2,0,0]=3 103 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:6809 [0,0,0,0,0,1|2,0,0]=3 104 B11R1.40 C[C@@H](Cc1ccccc1)[NH2+]C CHEBI:132297 [0,0,0,0,0,1|2,0,0]=3 105 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [2,0,0,0,0,0|0,0,2]=4 106 B8R1.2 CCc1ccccc1 CHEBI:16101 [2,0,0,0,0,0|0,0,0]=2 107 B8R1.2 CCc1cnccn1 CHEBI:73232 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.2 CNc1ccccc1 CHEBI:15733 [2,0,0,0,0,0|1,0,0]=3 109 B8R1.2 COc1ccccc1 CHEBI:16579 [2,0,0,0,0,0|1,0,0]=3 110 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [2,0,0,0,0,0|1,0,1]=4 111 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [2,0,0,0,0,0|0,0,2]=4 113 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [2,0,0,0,0,0|1,0,1]=4 114 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [2,0,0,0,0,0|1,0,0]=3 115 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [2,0,0,0,0,0|1,0,0]=3 116 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [2,0,0,0,0,0|0,0,0]=2 117 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [2,0,0,0,0,0|0,0,1]=3 119 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [2,0,0,0,0,0|1,0,0]=3 121 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [2,0,0,0,0,0|2,0,0]=4 126 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [2,0,0,0,0,0|1,0,1]=4 127 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [2,0,0,0,0,0|2,0,0]=4 128 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [1,1,0,0,0,0|0,0,0]=2 131 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.13 CC1=CC=C(CC1)C(C)C CHEBI:10334 [1,1,0,0,0,0|0,0,2]=4 133 B10R1.13 CC1=CCC(=CC1)C(C)C CHEBI:10577 [1,1,0,0,0,0|0,0,2]=4 134 B10R1.13 CC1=CCC(C=C1)C(C)C CHEBI:50035 [1,1,0,0,0,0|0,0,2]=4 135 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CHEBI:301 [1,1,0,0,0,0|0,0,2]=4 136 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CHEBI:367 [1,1,0,0,0,0|0,0,2]=4 137 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [1,1,0,0,0,0|0,0,0]=2 140 B10R1.28 CC(C)(c1ccccc1)O CHEBI:131607 [1,1,0,0,0,0|0,0,0]=2 141 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85062 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85318 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.28 c1ccc(cc1)C(F)(F)F CHEBI:36810 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.61 CC(C)c1ccccc1O CHEBI:38506 [1,1,0,0,0,0|0,0,0]=2 147 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.1 c1cc(ccc1CC#N)Cl CHEBI:17346 [1,1,0,0,0,0|0,0,2]=4 153 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [1,1,0,0,0,0|0,0,2]=4 154 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [1,1,0,0,0,0|0,0,0]=2 156 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [1,1,0,0,0,0|0,0,1]=3 158 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.4 Cc1ccccc1CC#N CHEBI:27982 [1,1,0,0,0,0|0,0,2]=4 160 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.17 CNCCc1ccccn1 CHEBI:35677 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [1,1,0,0,0,0|0,0,1]=3 164 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.17 c1ccc(cc1)CSC#N CHEBI:16017 [1,1,0,0,0,0|0,0,2]=4 167 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [1,1,0,0,0,0|0,0,2]=4 168 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [1,1,0,0,0,0|0,0,2]=4 169 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [1,1,0,0,0,0|0,0,2]=4 170 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [1,1,0,0,0,0|0,0,0]=2 177 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [1,1,0,0,0,0|0,0,0]=2 178 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [1,1,0,0,0,0|0,0,0]=2 179 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [1,1,0,0,0,0|0,0,0]=2 181 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,1,0,0,0,0|0,0,1]=3 182 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC CHEBI:15407 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)[NH2+]C CHEBI:57295 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:51209 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:8604 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)[NH2+]C CHEBI:132296 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N CHEBI:21371 [0,1,0,0,0,1|1,0,1]=4 191 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC CHEBI:76833 [0,1,0,0,0,1|2,0,0]=4 192 B12R1.10 CC[N+](C)(C)c1cccc(c1)O CHEBI:251408 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.10 CC[N+](C)(C)c1cccc(c1)O CHEBI:4759 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.253 CC(c1ccccc1)(C(=O)O)O CHEBI:50392 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O CHEBI:40741 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.478 CCC(c1ccccc1)C(=O)O CHEBI:86545 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.478 c1ccc(cc1)C(CO)C(=O)O CHEBI:30765 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.478 c1ccc(cc1)C(CO)C(=O)[O-] CHEBI:17000 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.478 c1ccc(cc1)[C@@H](CO)C(=O)O CHEBI:30766 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.478 c1ccc(cc1)[C@H](CO)C(=O)O CHEBI:30767 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.16 CNCC(c1ccc(cc1)O)O CHEBI:29081 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O CHEBI:119 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.16 CNC[C@H](c1ccc(cc1)O)O CHEBI:33016 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.16 C[NH2+]CC(c1ccc(cc1)O)O CHEBI:58606 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.16 C[NH2+]C[C@@H](c1ccc(cc1)O)O CHEBI:63694 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.17 CNC[C@@H](c1cccc(c1)O)O CHEBI:8093 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.17 CNC[C@@H](c1cccc(c1)O)O CHEBI:8094 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.17 C[NH2+]C[C@@H](c1cccc(c1)O)O CHEBI:132294 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.107 c1ccc(cc1)C(CC(=O)O)N CHEBI:68528 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.107 c1ccc(cc1)C(CC(=O)O)O CHEBI:19929 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.107 c1ccc(cc1)C(CC(=O)[O-])O CHEBI:63469 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.107 c1ccc(cc1)C(CC(=O)[O-])[NH3+] CHEBI:68527 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N CHEBI:67172 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O CHEBI:51059 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)[O-])[NH3+] CHEBI:67158 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N CHEBI:68525 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O CHEBI:51058 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.107 c1ccc(cc1)[C@H](CC(=O)[O-])[NH3+] CHEBI:68506 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.308 c1ccc(c(c1)C(=O)CCN)N CHEBI:73472 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.20 c1cc(ccc1C(C(=O)N)N)O CHEBI:58991 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.367 c1cc(c(cc1C(CN)O)O)O CHEBI:33569 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.367 c1cc(c(cc1C(CO)O)O)O CHEBI:1387 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.367 c1cc(c(cc1[C@@H](CN)O)O)O CHEBI:33571 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O CHEBI:18357 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.367 c1cc(c(cc1[C@H](C[NH3+])O)O)O CHEBI:72587 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.225 CC(c1cccc(c1)O)C(=O)O CHEBI:131432 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N CHEBI:6794 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N CHEBI:6795 [0,2,0,0,0,0|1,0,0]=3 229 B10R1.2 C=CC1=CC=CC(C1O)O CHEBI:51007 [0,0,1,1,0,0|2,0,0]=4 230 B10R1.2 C=CC1=CC=C[C@@H]([C@@H]1O)O CHEBI:51008 [0,0,1,1,0,0|2,0,0]=4 231 B10R1.2 C=CC1=CC=C[C@@H]([C@H]1O)O CHEBI:51012 [0,0,1,1,0,0|2,0,0]=4 232 B10R1.2 C=CC1=CC=C[C@H]([C@@H]1O)O CHEBI:51011 [0,0,1,1,0,0|2,0,0]=4 233 B10R1.2 C=CC1=CC=C[C@H]([C@H]1O)O CHEBI:26797 [0,0,1,1,0,0|2,0,0]=4 234 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [1,0,0,1,0,0|1,0,0]=3 235 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [1,0,0,1,0,0|1,0,0]=3 236 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [1,0,0,1,0,0|1,0,0]=3 237 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [1,0,0,1,0,0|1,0,1]=4 238 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [1,0,0,1,0,0|1,0,1]=4 239 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,1,0,0|1,0,1]=4 240 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,1,0,0|0,0,2]=4 241 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [1,0,0,1,0,0|1,0,0]=3 242 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [1,0,0,1,0,0|0,0,0]=2 243 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [1,0,0,1,0,0|1,0,0]=3 244 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,1,0,0|2,0,0]=4 245 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [1,0,0,1,0,0|2,0,0]=4 246 B10R2.7 c1ccc2c(c1)OCO2 CHEBI:38732 [1,0,0,1,0,0|2,0,0]=4 247 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [1,0,0,1,0,0|1,0,1]=4 248 B10R2.7 c1ccc2c(c1)[nH]nn2 CHEBI:75331 [1,0,0,1,0,0|2,0,0]=4 249 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [1,0,0,1,0,0|0,0,2]=4 250 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [1,0,0,1,0,0|1,0,1]=4 251 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN CHEBI:65009 [0,1,0,1,0,0|0,0,2]=4 252 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO CHEBI:24814 [0,1,0,1,0,0|0,0,2]=4 253 B12R2.2 c1cc(cnc1)[C@@H]2CCCN2 CHEBI:28313 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.1081 CN1CCCc2c1cccc2 CHEBI:190941 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.196 Cc1cncc2c1CC[C@@H]2C CHEBI:2443 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.8 c1c(nc[nH]1)CCN CHEBI:18295 [1,0,0,0,1,0|2,0,0]=4 257 B8R1.8 c1c(nc[nH]1)CCN CHEBI:51193 [1,0,0,0,1,0|2,0,0]=4 258 B8R1.8 c1c[nH]nc1CCN CHEBI:31280 [1,0,0,0,1,0|2,0,0]=4 259 B8R1.8 c1c[nH]nc1CCN CHEBI:59170 [1,0,0,0,1,0|2,0,0]=4 260 B12R1.27 c1ccc(cc1)NCC(CO)O CHEBI:53758 [0,0,0,0,0,2|2,0,0]=4