0 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [0,0,0,0,0,0|0,0,0]=0 7 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [0,0,0,0,0,0|0,0,0]=0 8 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.18 c1ccc(cc1)OP(=O)O CHEBI:91048 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.8 CCCc1ccccc1 CHEBI:42630 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [1,0,0,0,0,0|0,0,2]=3 22 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [1,0,0,0,0,0|0,0,0]=1 24 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [1,0,0,0,0,0|0,0,1]=2 26 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CHEBI:29132 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CHEBI:116915 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.20 c1cc(ccc1CC(=O)[O-])Cl CHEBI:16237 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.20 c1cc(ccc1CC(=O)[O-])O CHEBI:48999 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.20 c1cc(ccc1NC(=S)N)Br CHEBI:34391 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.36 CC(=O)C(=O)c1ccccc1 CHEBI:63552 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.36 CC(C(=O)c1ccccc1)N CHEBI:59332 [0,1,0,0,0,0|0,0,1]=2 42 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.36 CC(c1ccccc1)C(=O)O CHEBI:48526 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.36 C[C@@H](C(=O)c1ccccc1)N CHEBI:4110 [0,1,0,0,0,0|0,0,1]=2 45 B11R1.36 C[C@@H](c1ccccc1)C(=O)O CHEBI:48527 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.36 C[C@H](c1ccccc1)C(=O)O CHEBI:43035 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.36 c1ccc(cc1)C(C(=O)O)N CHEBI:55484 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N CHEBI:439819 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N CHEBI:44962 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])[NH3+] CHEBI:77399 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:35340 [0,1,0,0,0,0|0,0,0]=1 59 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:6809 [0,1,0,0,0,0|0,0,0]=1 60 B11R1.40 C[C@@H](Cc1ccccc1)[NH2+]C CHEBI:132297 [0,1,0,0,0,0|0,0,1]=2 61 B11R1.40 c1ccc(cc1)C\C(=N\O)\S CHEBI:17520 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.40 c1ccc(cc1)C\C(=N\O)\[S-] CHEBI:58176 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.86 CC(C)Oc1ccccc1O CHEBI:38547 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.86 c1ccc(c(c1)CC(=O)O)O CHEBI:28478 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.86 c1ccc(c(c1)CC(=O)[O-])O CHEBI:62423 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.157 CC(=O)Nc1cccc(c1)O CHEBI:76987 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.157 CC(=O)Oc1cccc(c1)O CHEBI:29672 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.157 Cc1cccc(c1)CC(=O)O CHEBI:88356 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.157 c1cc(cc(c1)O)CC(=O)O CHEBI:17445 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.157 c1cc(cc(c1)O)CC(=O)[O-] CHEBI:58149 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.509 CC(C)(Cc1ccccc1)N CHEBI:8080 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.509 CC(C)(Cc1ccccc1)[NH3+] CHEBI:50506 [0,1,0,0,0,0|0,0,1]=2 73 B11R1.509 CC(C)(Cc1ccccc1)[NH3+] CHEBI:50508 [0,1,0,0,0,0|0,0,1]=2 74 B11R1.509 CS(=Nc1ccccc1)(=O)C CHEBI:47831 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.509 c1ccc(cc1)CS(=O)(=O)F CHEBI:8102 [0,1,0,0,0,0|3,0,0]=4 76 B11R2.4 c1ccc(cc1)C2CC2N CHEBI:131512 [0,0,0,1,0,0|0,0,0]=1 77 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131510 [0,0,0,1,0,0|0,0,0]=1 78 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131514 [0,0,0,1,0,0|0,0,0]=1 79 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2[NH3+] CHEBI:131517 [0,0,0,1,0,0|0,0,1]=2 80 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131511 [0,0,0,1,0,0|0,0,0]=1 81 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131516 [0,0,0,1,0,0|0,0,0]=1 82 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] CHEBI:131520 [0,0,0,1,0,0|0,0,1]=2 83 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [0,0,0,1,0,0|0,0,2]=3 84 B11R2.10 Cc1nc2ccccc2o1 CHEBI:51603 [0,0,0,1,0,0|1,0,2]=4 85 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [0,0,0,1,0,0|1,0,1]=3 86 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [0,0,0,1,0,0|1,0,1]=3 87 B11R2.10 c1ccc2c(c1)[nH]c(n2)N CHEBI:27822 [0,0,0,1,0,0|2,0,1]=4 88 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [0,0,0,0,1,0|3,0,0]=4 90 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [0,0,0,0,1,0|1,0,2]=4 91 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [0,0,0,0,1,0|1,0,1]=3 92 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [0,0,0,0,1,0|1,0,0]=2 93 B9R1.6 CC(c1ccccc1)N CHEBI:670 [0,0,0,0,1,0|0,0,0]=1 94 B9R1.6 CC(c1ccccc1)O CHEBI:669 [0,0,0,0,1,0|1,0,0]=2 95 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [0,0,0,0,1,0|2,0,0]=3 96 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [0,0,0,0,1,0|2,0,0]=3 97 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [0,0,0,0,1,0|0,0,0]=1 98 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [0,0,0,0,1,0|1,0,0]=2 99 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [0,0,0,0,1,0|0,0,0]=1 100 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [0,0,0,0,1,0|1,0,0]=2 101 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [0,0,0,0,1,0|2,0,0]=3 102 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [0,0,0,0,1,0|2,0,1]=4 103 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [0,0,0,0,1,0|1,0,1]=3 104 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [0,0,0,0,1,0|1,0,1]=3 105 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [0,0,0,0,1,0|2,0,1]=4 106 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [0,0,0,0,1,0|2,0,1]=4 107 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [0,0,0,0,1,0|2,0,1]=4 108 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [0,0,0,0,1,0|2,0,0]=3 109 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [0,0,0,0,1,0|2,0,1]=4 114 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [0,0,0,0,1,0|2,0,1]=4 115 B9R1.13 CC(C)Cc1nccs1 CHEBI:133683 [0,0,0,0,1,0|3,0,0]=4 116 B9R1.13 CC(Cc1cnc[nH]1)N CHEBI:74759 [0,0,0,0,1,0|2,0,0]=3 117 B9R1.13 C[C@H](Cc1c[nH]cn1)N CHEBI:73337 [0,0,0,0,1,0|2,0,0]=3 118 B11R1.91 CC(=O)C#Cc1ccccc1 CHEBI:51731 [0,0,0,0,0,1|1,0,2]=4 119 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [0,0,0,0,0,1|1,0,1]=3 120 B11R1.91 CC(=O)O[Hg]c1ccccc1 CHEBI:27684 [0,0,0,0,0,1|2,0,1]=4 121 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [0,0,0,0,0,1|1,0,2]=4 122 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [0,0,0,0,0,1|1,0,2]=4 123 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [0,0,0,0,0,1|1,0,2]=4 124 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [0,0,0,0,0,1|2,0,1]=4 125 B11R1.91 c1ccc(cc1)CCC(=O)[O-] CHEBI:51057 [0,0,0,0,0,1|2,0,1]=4 126 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [0,0,0,0,0,1|2,0,1]=4 127 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [0,0,0,0,0,1|2,0,1]=4 128 B11R1.91 c1ccc(cc1)OCC(=O)[O-] CHEBI:38846 [0,0,0,0,0,1|2,0,1]=4 129 B11R1.91 c1ccc(cc1)\C=C/C(=O)N CHEBI:76321 [0,0,0,0,0,1|1,0,2]=4 130 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:23246 [0,0,0,0,0,1|1,0,2]=4 131 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:76320 [0,0,0,0,0,1|1,0,2]=4 132 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [2,0,0,0,0,0|0,0,2]=4 133 B8R1.2 CCc1ccccc1 CHEBI:16101 [2,0,0,0,0,0|0,0,0]=2 134 B8R1.2 CCc1cnccn1 CHEBI:73232 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.2 CNc1ccccc1 CHEBI:15733 [2,0,0,0,0,0|1,0,0]=3 136 B8R1.2 COc1ccccc1 CHEBI:16579 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [2,0,0,0,0,0|1,0,1]=4 138 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [2,0,0,0,0,0|0,0,2]=4 140 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [2,0,0,0,0,0|1,0,1]=4 141 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [2,0,0,0,0,0|1,0,0]=3 142 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [2,0,0,0,0,0|1,0,0]=3 143 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [2,0,0,0,0,0|0,0,0]=2 144 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [2,0,0,0,0,0|1,0,0]=3 145 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [2,0,0,0,0,0|0,0,1]=3 146 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [2,0,0,0,0,0|1,0,0]=3 148 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [2,0,0,0,0,0|1,0,1]=4 154 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [1,1,0,0,0,0|0,0,2]=4 157 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [1,1,0,0,0,0|0,0,2]=4 160 B10R1.1 c1cc(ccc1CC#N)Cl CHEBI:17346 [1,1,0,0,0,0|0,0,2]=4 161 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [1,1,0,0,0,0|0,0,2]=4 162 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [1,1,0,0,0,0|0,0,0]=2 164 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [1,1,0,0,0,0|0,0,1]=3 166 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,1,0,0,0,0|0,0,2]=4 167 B10R1.4 Cc1ccccc1CC#N CHEBI:27982 [1,1,0,0,0,0|0,0,2]=4 168 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [1,1,0,0,0,0|0,0,1]=3 170 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [1,1,0,0,0,0|0,0,0]=2 171 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [1,1,0,0,0,0|0,0,0]=2 172 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [1,1,0,0,0,0|0,0,0]=2 173 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [1,1,0,0,0,0|0,0,2]=4 178 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [1,1,0,0,0,0|0,0,2]=4 179 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [1,1,0,0,0,0|0,0,1]=3 181 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [1,1,0,0,0,0|0,0,2]=4 182 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [1,1,0,0,0,0|0,0,2]=4 183 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [1,1,0,0,0,0|0,0,0]=2 184 B10R1.17 CNCCc1ccccn1 CHEBI:35677 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [1,1,0,0,0,0|0,0,1]=3 186 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.17 c1ccc(cc1)CSC#N CHEBI:16017 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [1,1,0,0,0,0|0,0,2]=4 190 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [1,1,0,0,0,0|0,0,2]=4 191 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [1,1,0,0,0,0|0,0,2]=4 192 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [1,1,0,0,0,0|0,0,2]=4 194 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [1,1,0,0,0,0|0,0,2]=4 195 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [1,1,0,0,0,0|0,0,2]=4 196 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,1,0,0,1,0|1,0,1]=4 197 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [0,1,0,0,1,0|1,0,0]=3 198 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [0,1,0,0,1,0|1,0,0]=3 199 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [0,1,0,0,1,0|2,0,0]=4 200 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [0,1,0,0,1,0|2,0,0]=4 201 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [0,1,0,0,1,0|1,0,0]=3 202 B10R1.28 CC(C)(c1ccccc1)O CHEBI:131607 [0,1,0,0,1,0|1,0,0]=3 203 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [0,1,0,0,1,0|2,0,0]=4 204 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85062 [0,1,0,0,1,0|2,0,0]=4 205 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85318 [0,1,0,0,1,0|2,0,0]=4 206 B10R1.28 c1ccc(cc1)C(F)(F)F CHEBI:36810 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [0,1,0,0,1,0|1,0,1]=4 208 B10R1.61 CC(C)c1ccccc1O CHEBI:38506 [0,1,0,0,1,0|1,0,0]=3 209 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [0,1,0,0,1,0|1,0,1]=4 210 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [0,1,0,0,1,0|1,0,1]=4 211 B10R1.27 c1c(nc[nH]1)C[C@@H](CO)N CHEBI:16255 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.21 CC(=O)CCc1ccc(cc1)O CHEBI:68656 [0,1,0,0,0,1|1,0,1]=4 213 B12R1.21 CN(C)CCc1ccc(cc1)O CHEBI:5764 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.27 c1ccc(cc1)NCC(CO)O CHEBI:53758 [0,1,0,0,0,1|1,0,0]=3 215 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N CHEBI:21371 [0,1,0,0,0,1|1,0,1]=4 216 B12R1.125 CC(=CCc1ccccc1O)C CHEBI:1269 [0,1,0,0,0,1|1,0,1]=4 217 B12R1.891 C[Si](C)(C)OCc1ccccc1 CHEBI:76351 [0,1,0,0,0,1|1,1,0]=4 218 B12R1.20 c1cc(ccc1C(C(=O)N)N)O CHEBI:58991 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.49 COC(=O)Cc1ccc(cc1)O CHEBI:68078 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC CHEBI:76833 [0,2,0,0,0,0|0,0,0]=2 221 B12R1.34 CC(=NC)[C@@H](c1ccccc1)O CHEBI:16825 [0,2,0,0,0,0|0,0,2]=4 222 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC CHEBI:15407 [0,2,0,0,0,0|0,0,0]=2 223 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)[NH2+]C CHEBI:57295 [0,2,0,0,0,0|0,0,1]=3 224 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:51209 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:8604 [0,2,0,0,0,0|0,0,0]=2 226 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)[NH2+]C CHEBI:132296 [0,2,0,0,0,0|0,0,1]=3 227 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N CHEBI:6794 [0,2,0,0,0,0|0,0,0]=2 228 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N CHEBI:6795 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.32 CCNC(=O)Cc1ccccc1 CHEBI:4737 [0,2,0,0,0,0|1,0,1]=4 230 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [1,0,0,1,0,0|1,0,0]=3 231 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [1,0,0,1,0,0|1,0,0]=3 232 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [1,0,0,1,0,0|1,0,0]=3 233 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [1,0,0,1,0,0|0,0,2]=4 234 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [1,0,0,1,0,0|1,0,1]=4 235 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,1,0,0|0,0,2]=4 236 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,1,0,0|0,0,2]=4 237 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [1,0,0,1,0,0|0,0,0]=2 238 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [1,0,0,1,0,0|0,0,0]=2 239 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [1,0,0,1,0,0|1,0,0]=3 240 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,1,0,0|1,0,1]=4 241 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [1,0,0,1,0,0|2,0,0]=4 242 B10R2.7 c1ccc2c(c1)OCO2 CHEBI:38732 [1,0,0,1,0,0|2,0,0]=4 243 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [1,0,0,1,0,0|1,0,1]=4 244 B10R2.7 c1ccc2c(c1)[nH]nn2 CHEBI:75331 [1,0,0,1,0,0|2,0,0]=4 245 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [1,0,0,1,0,0|0,0,2]=4 246 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [1,0,0,1,0,0|1,0,1]=4 247 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [0,1,0,1,0,0|1,0,1]=4 248 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [0,1,0,1,0,0|1,0,1]=4 249 B12R2.95 CC1(Cc2ccccc2O1)C CHEBI:38475 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.8 c1c(nc[nH]1)CCN CHEBI:18295 [1,0,0,0,1,0|2,0,0]=4 251 B8R1.8 c1c(nc[nH]1)CCN CHEBI:51193 [1,0,0,0,1,0|2,0,0]=4 252 B8R1.8 c1c[nH]nc1CCN CHEBI:31280 [1,0,0,0,1,0|2,0,0]=4 253 B8R1.8 c1c[nH]nc1CCN CHEBI:59170 [1,0,0,0,1,0|2,0,0]=4 254 B12R1.252 CC(=O)NCCc1ccccc1 CHEBI:18177 [0,0,0,0,0,2|1,0,1]=4 255 B12R1.252 CC(=O)OCCc1ccccc1 CHEBI:31988 [0,0,0,0,0,2|1,0,1]=4