0 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 CNCCc1ccccn1 CHEBI:35677 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 c1ccc(cc1)CSC#N CHEBI:16017 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 c1ccc(cc1)\C=C\C=O CHEBI:16731 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.8 CCCc1ccccc1 CHEBI:42630 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [1,0,0,0,0,0|0,0,2]=3 18 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [1,0,0,0,0,0|0,0,1]=2 22 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.1 CNCCc1ccc(cc1)O CHEBI:17458 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.1 C[NH2+]CCc1ccc(cc1)O CHEBI:58155 [0,1,0,0,0,0|0,0,1]=2 29 B11R1.1 c1cc(ccc1C\C=N/O)O CHEBI:15667 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15665 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15666 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.16 C=CCC(c1ccccc1)O CHEBI:131375 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.16 CNCC(c1ccccc1)O CHEBI:16913 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.16 C[NH2+]CC(c1ccccc1)O CHEBI:57946 [0,1,0,0,0,0|0,0,1]=2 36 B11R1.16 c1ccc(cc1)C(=O)CC#N CHEBI:51855 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.17 CCSCc1ccccc1O CHEBI:38487 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.28 c1ccc(cc1)CCN=C=O CHEBI:60067 [0,1,0,0,0,0|0,0,2]=3 39 B11R1.28 c1ccc(cc1)CCN=C=S CHEBI:351346 [0,1,0,0,0,0|0,0,2]=3 40 B11R1.28 c1ccc(cc1)CCOC=O CHEBI:87417 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:35340 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:6809 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.40 C[C@@H](Cc1ccccc1)[NH2+]C CHEBI:132297 [0,1,0,0,0,0|0,0,1]=2 44 B11R1.40 c1ccc(cc1)C\C(=N\O)\S CHEBI:17520 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.40 c1ccc(cc1)C\C(=N\O)\[S-] CHEBI:58176 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.91 CC(=O)C#Cc1ccccc1 CHEBI:51731 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.91 CC(=O)O[Hg]c1ccccc1 CHEBI:27684 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [0,1,0,0,0,0|1,0,2]=4 50 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.91 c1ccc(cc1)CCC(=O)[O-] CHEBI:51057 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.91 c1ccc(cc1)OCC(=O)[O-] CHEBI:38846 [0,1,0,0,0,0|3,0,0]=4 57 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [0,0,0,1,0,0|3,0,0]=4 58 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [0,0,0,1,0,0|2,0,1]=4 59 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,0,0,1,0,0|2,0,0]=3 61 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [0,0,0,1,0,0|2,0,0]=3 62 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [0,0,0,1,0,0|3,0,0]=4 63 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [0,0,0,1,0,0|3,0,0]=4 64 B11R2.1 c1ccc2c(c1)ccn2Br CHEBI:52517 [0,0,0,1,0,0|1,0,2]=4 65 B11R2.1 c1ccc2c(c1)ccn2Cl CHEBI:52510 [0,0,0,1,0,0|1,0,2]=4 66 B11R2.4 c1ccc(cc1)C2CC2N CHEBI:131512 [0,0,0,1,0,0|2,0,0]=3 67 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131510 [0,0,0,1,0,0|2,0,0]=3 68 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131514 [0,0,0,1,0,0|2,0,0]=3 69 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2[NH3+] CHEBI:131517 [0,0,0,1,0,0|2,0,0]=3 70 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131511 [0,0,0,1,0,0|2,0,0]=3 71 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131516 [0,0,0,1,0,0|2,0,0]=3 72 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] CHEBI:131520 [0,0,0,1,0,0|2,0,0]=3 73 B11R2.20 c1ccc2=COCC=c2c1 CHEBI:36116 [0,0,0,1,0,0|1,0,2]=4 74 B11R2.20 c1ccc2c(c1)C=CCO2 CHEBI:35601 [0,0,0,1,0,0|2,0,1]=4 75 B11R2.20 c1ccc2c(c1)CC=CC2 CHEBI:38143 [0,0,0,1,0,0|1,0,1]=3 76 B11R2.20 c1ccc2c(c1)CC=CO2 CHEBI:35603 [0,0,0,1,0,0|2,0,1]=4 77 B11R2.20 c1ccc2c(c1)CCC=C2 CHEBI:38142 [0,0,0,1,0,0|1,0,1]=3 78 B11R2.20 c1ccc2c(c1)CCCC2 CHEBI:35008 [0,0,0,1,0,0|1,0,0]=2 79 B11R2.20 c1ccc2c(c1)CCCN2 CHEBI:213323 [0,0,0,1,0,0|2,0,0]=3 80 B11R2.20 c1ccc2c(c1)CCCO2 CHEBI:33224 [0,0,0,1,0,0|2,0,0]=3 81 B11R2.20 c1ccc2c(c1)CCOC2 CHEBI:33225 [0,0,0,1,0,0|1,0,0]=2 82 B11R2.20 c1ccc2c(c1)COC=C2 CHEBI:36115 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [2,0,0,0,0,0|0,0,2]=4 84 B8R1.2 CCc1ccccc1 CHEBI:16101 [2,0,0,0,0,0|0,0,0]=2 85 B8R1.2 CCc1cnccn1 CHEBI:73232 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.2 CNc1ccccc1 CHEBI:15733 [2,0,0,0,0,0|0,0,0]=2 87 B8R1.2 COc1ccccc1 CHEBI:16579 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [2,0,0,0,0,0|0,0,2]=4 89 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [2,0,0,0,0,0|0,0,2]=4 91 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [2,0,0,0,0,0|1,0,1]=4 92 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [2,0,0,0,0,0|0,0,0]=2 95 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [2,0,0,0,0,0|0,0,1]=3 97 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [2,0,0,0,0,0|1,0,1]=4 98 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [2,0,0,0,0,0|1,0,0]=3 100 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [2,0,0,0,0,0|1,1,0]=4 102 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [2,0,0,0,0,0|1,0,1]=4 105 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [1,1,0,0,0,0|0,0,2]=4 108 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [1,1,0,0,0,0|0,0,2]=4 111 B10R1.1 c1cc(ccc1CC#N)Cl CHEBI:17346 [1,1,0,0,0,0|0,0,2]=4 112 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [1,1,0,0,0,0|0,0,2]=4 113 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [1,1,0,0,0,0|0,0,1]=3 117 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,1,0,0,0,0|0,0,2]=4 118 B10R1.4 Cc1ccccc1CC#N CHEBI:27982 [1,1,0,0,0,0|0,0,2]=4 119 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [1,1,0,0,0,0|0,0,1]=3 121 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [1,1,0,0,0,0|0,0,0]=2 122 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [1,1,0,0,0,0|0,0,0]=2 123 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [1,1,0,0,0,0|0,0,0]=2 124 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [1,1,0,0,0,0|0,0,2]=4 131 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [1,1,0,0,0,0|0,0,0]=2 132 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [1,1,0,0,0,0|0,0,1]=3 133 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [1,1,0,0,0,0|0,0,2]=4 134 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [1,1,0,0,0,0|0,0,2]=4 135 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [1,1,0,0,0,0|0,0,1]=3 137 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [1,1,0,0,0,0|0,0,0]=2 140 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [1,1,0,0,0,0|0,0,0]=2 141 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [1,1,0,0,0,0|0,0,0]=2 142 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [1,1,0,0,0,0|0,0,0]=2 143 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [1,1,0,0,0,0|0,0,0]=2 144 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [1,1,0,0,0,0|0,0,0]=2 145 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,1,0,0,0,0|0,0,1]=3 146 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.16 CNCC(c1ccc(cc1)O)O CHEBI:29081 [0,2,0,0,0,0|0,0,0]=2 150 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O CHEBI:119 [0,2,0,0,0,0|0,0,0]=2 151 B12R1.16 CNC[C@H](c1ccc(cc1)O)O CHEBI:33016 [0,2,0,0,0,0|0,0,0]=2 152 B12R1.16 C[NH2+]CC(c1ccc(cc1)O)O CHEBI:58606 [0,2,0,0,0,0|0,0,1]=3 153 B12R1.16 C[NH2+]C[C@@H](c1ccc(cc1)O)O CHEBI:63694 [0,2,0,0,0,0|0,0,1]=3 154 B12R1.21 CC(=O)CCc1ccc(cc1)O CHEBI:68656 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.21 CN(C)CCc1ccc(cc1)O CHEBI:5764 [0,2,0,0,0,0|0,0,0]=2 156 B12R1.21 c1cc(ccc1CCC(=O)O)O CHEBI:32980 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.21 c1cc(ccc1CCC(=O)[O-])O CHEBI:16331 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.49 COC(=O)Cc1ccc(cc1)O CHEBI:68078 [0,2,0,0,0,0|1,0,1]=4 159 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC CHEBI:76833 [0,2,0,0,0,0|0,0,0]=2 160 B12R1.71 CNCCc1ccc(cc1)OC CHEBI:75143 [0,2,0,0,0,0|0,0,0]=2 161 B12R1.17 CNC[C@@H](c1cccc(c1)O)O CHEBI:8093 [0,2,0,0,0,0|0,0,0]=2 162 B12R1.17 CNC[C@@H](c1cccc(c1)O)O CHEBI:8094 [0,2,0,0,0,0|0,0,0]=2 163 B12R1.17 C[NH2+]C[C@@H](c1cccc(c1)O)O CHEBI:132294 [0,2,0,0,0,0|0,0,1]=3 164 B12R1.30 CCCCC(=O)c1ccccc1 CHEBI:36812 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.30 CCCNC(=O)c1ccccc1 CHEBI:84270 [0,2,0,0,0,0|1,0,1]=4 166 B12R1.34 CC(=NC)[C@@H](c1ccccc1)O CHEBI:16825 [0,2,0,0,0,0|0,0,2]=4 167 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC CHEBI:15407 [0,2,0,0,0,0|0,0,0]=2 168 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)[NH2+]C CHEBI:57295 [0,2,0,0,0,0|0,0,1]=3 169 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:51209 [0,2,0,0,0,0|0,0,0]=2 170 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:8604 [0,2,0,0,0,0|0,0,0]=2 171 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)[NH2+]C CHEBI:132296 [0,2,0,0,0,0|0,0,1]=3 172 B12R1.107 c1ccc(cc1)C(CC(=O)O)N CHEBI:68528 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.107 c1ccc(cc1)C(CC(=O)O)O CHEBI:19929 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.107 c1ccc(cc1)C(CC(=O)[O-])O CHEBI:63469 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.107 c1ccc(cc1)C(CC(=O)[O-])[NH3+] CHEBI:68527 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N CHEBI:67172 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O CHEBI:51059 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)[O-])[NH3+] CHEBI:67158 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N CHEBI:68525 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O CHEBI:51058 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.107 c1ccc(cc1)[C@H](CC(=O)[O-])[NH3+] CHEBI:68506 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.125 CC(=CCc1ccccc1O)C CHEBI:1269 [0,2,0,0,0,0|1,0,1]=4 183 B12R1.125 c1ccc(c(c1)CCC(=O)O)O CHEBI:16104 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.125 c1ccc(c(c1)CCC(=O)[O-])O CHEBI:46957 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.267 Cc1ccccc1CCCC=C CHEBI:48651 [0,2,0,0,0,0|1,0,1]=4 186 B12R1.50 Cc1cccc(c1)OC(=O)NC CHEBI:38537 [0,2,0,0,0,0|1,0,1]=4 187 B12R1.226 CN(C)\C=N\c1cccc(c1)O CHEBI:38493 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.226 c1cc(cc(c1)O)CCC(=O)O CHEBI:1427 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.226 c1cc(cc(c1)O)CCC(=O)[O-] CHEBI:57277 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.27 c1ccc(cc1)NCC(CO)O CHEBI:53758 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.32 CCNC(=O)Cc1ccccc1 CHEBI:4737 [0,2,0,0,0,0|0,0,1]=3 192 B12R1.252 CC(=O)NCCc1ccccc1 CHEBI:18177 [0,2,0,0,0,0|0,0,0]=2 193 B12R1.252 CC(=O)OCCc1ccccc1 CHEBI:31988 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.252 c1ccc(cc1)CCCC(=O)O CHEBI:41500 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.252 c1ccc(cc1)CCCC(=O)[O-] CHEBI:75316 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.252 c1ccc(cc1)CCCC(=O)[O-] CHEBI:75317 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.43 c1ccc(cc1)CC(C(=O)O)N CHEBI:28044 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.43 c1ccc(cc1)CC(C(=O)O)O CHEBI:25998 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.43 c1ccc(cc1)CC(C(=O)O)[NH3+] CHEBI:32505 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.43 c1ccc(cc1)CC(C(=O)[O-])N CHEBI:32504 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.43 c1ccc(cc1)CC(C(=O)[O-])O CHEBI:8100 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N CHEBI:21371 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N CHEBI:17295 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O CHEBI:43065 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH3+] CHEBI:32487 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])N CHEBI:32486 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])O CHEBI:32979 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] CHEBI:58095 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N CHEBI:16998 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O CHEBI:32978 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)[NH3+] CHEBI:32495 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.43 c1ccc(cc1)C[C@H](C(=O)[O-])N CHEBI:32494 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.43 c1ccc(cc1)C[C@H](C(=O)[O-])O CHEBI:11009 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.43 c1ccc(cc1)C[C@H](C(=O)[O-])[NH3+] CHEBI:57981 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.891 C[Si](C)(C)OCc1ccccc1 CHEBI:76351 [0,2,0,0,0,0|2,0,0]=4 216 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [1,0,0,1,0,0|1,0,0]=3 217 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [1,0,0,1,0,0|1,0,0]=3 218 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [1,0,0,1,0,0|1,0,0]=3 219 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [1,0,0,1,0,0|0,0,2]=4 220 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [1,0,0,1,0,0|1,0,1]=4 221 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,1,0,0|0,0,2]=4 222 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,1,0,0|0,0,2]=4 223 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [1,0,0,1,0,0|0,0,0]=2 224 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [1,0,0,1,0,0|0,0,0]=2 225 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [1,0,0,1,0,0|1,0,0]=3 226 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,1,0,0|0,0,2]=4 227 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [1,0,0,1,0,0|2,0,0]=4 228 B10R2.7 c1ccc2c(c1)OCO2 CHEBI:38732 [1,0,0,1,0,0|2,0,0]=4 229 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [1,0,0,1,0,0|1,0,1]=4 230 B10R2.7 c1ccc2c(c1)[nH]nn2 CHEBI:75331 [1,0,0,1,0,0|2,0,0]=4 231 B10R2.7 c1ccc2c(c1)c[nH]n2 CHEBI:36670 [1,0,0,1,0,0|1,0,1]=4 232 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [1,0,0,1,0,0|0,0,2]=4 233 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [1,0,0,1,0,0|1,0,1]=4 234 B10R2.7 c1ccc2c[nH]cc2c1 CHEBI:33179 [1,0,0,1,0,0|0,0,2]=4 235 B12R2.24 c1cc2c(cc1O)CCCC2 CHEBI:34448 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.24 c1cc2c(cc1O)CCCO2 CHEBI:78631 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.24 c1ccc2c(c1)CCC(=O)O2 CHEBI:16151 [0,1,0,1,0,0|2,0,0]=4 238 B12R2.2 c1cc(cnc1)[C@@H]2CCCN2 CHEBI:28313 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.1081 CN1CCCc2c1cccc2 CHEBI:190941 [0,1,0,1,0,0|0,0,0]=2 240 B12R2.1081 c1cc2c(c(c1)O)CCCC2 CHEBI:45900 [0,1,0,1,0,0|1,0,0]=3 241 B12R2.1081 c1ccc2c(c1)CCOC2=O CHEBI:23745 [0,1,0,1,0,0|1,0,1]=4 242 B12R2.196 Cc1cncc2c1CC[C@@H]2C CHEBI:2443 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.8 c1c(nc[nH]1)CCN CHEBI:18295 [1,0,0,0,1,0|2,0,0]=4 244 B8R1.8 c1c(nc[nH]1)CCN CHEBI:51193 [1,0,0,0,1,0|2,0,0]=4 245 B8R1.8 c1c[nH]nc1CCN CHEBI:31280 [1,0,0,0,1,0|2,0,0]=4 246 B8R1.8 c1c[nH]nc1CCN CHEBI:59170 [1,0,0,0,1,0|2,0,0]=4