0 B10R1.10 CCOc1cccc(O)c1 T20297 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 Cc1cccc(CC#N)c1 T33456 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.10 Fc1cccc(c1)N=C=S T21177 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.10 Ic1cccc(c1)N=C=S T21210 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.10 NCCc1cccc(O)c1 T11937 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.10 NCCc1cccc(O)c1 T11937L [0,0,0,0,0,0|1,0,0]=1 6 B10R1.10 NNCc1cccc(O)c1 T29406 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.2 CCc1cccc(N)c1 T21169 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.2 CCc1cccc(O)c1 T21170 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.2 CNc1cccc(C)c1 T0557 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.2 COc1cccc(Br)c1 T21218 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 COc1cccc(C)c1 T21278 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.2 COc1cccc(O)c1 T20294 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 Cc1cccc(c1)[I]=O T32169 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 ClCc1cccc(Cl)c1 T21091 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.2 Fc1cccc(C=O)c1 T21180 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.2 Fc1cccc(CCl)c1 T21179 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 NCc1ccnc(Cl)c1 T7185 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.2 OCc1ccc[n+]([O-])c1 T0257 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 OCc1cccc(I)c1 T21214 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.2 OCc1cccc(O)c1 T4760 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|0,0,0]=1 26 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.13 Cc1cccc(CC=C)c1O T29470 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.13 Oc1cccc(CC=C)c1O T26596 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.23 NNC(=O)c1cccc(O)c1 T21202 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.23 OC(C#N)c1cccc(O)c1 T33176 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.24 CNCCc1cccc(O)c1 T34003 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.157 CC(N)Cc1cccc(O)c1 T50039 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.157 NC(=O)Nc1cccc(O)c1 T21201 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.157 OC1=CC=CC(CC(N)C)=C1 T31922 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.182 Cc1ccc(O)c(CC=C)c1 T29333 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.189 CCOc1cccc(C=O)c1 T21171 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.189 COc1cccc(CCN)c1 T7855 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.192 NOCc1ccc(Br)c(O)c1 T23822 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [0,1,0,0,0,0|2,0,1]=4 50 B11R2.36 Brc1ccc2[nH]ccc2c1 T7473 [0,0,0,1,0,0|1,0,2]=4 51 B11R2.36 Oc1ccc2OCOc2c1 T3676 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.7 Cn1cnc(CCN)c1 T13487 [0,0,0,0,1,0|2,0,0]=3 53 B9R1.7 Cn1cnc(CCN)c1 T8790 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.33 CC1=C(CCCl)SC=N1 T10796 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.33 Cc1[nH]cnc1CCN T50049 [0,0,0,0,1,0|2,0,0]=3 56 B9R1.33 Cc1ncsc1CCCl T14983 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.33 Cn1cncc1CCN T4940 [0,0,0,0,1,0|2,0,0]=3 58 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|0,0,0]=2 59 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.4 Cc1cccc(O)c1 T33229 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.4 Cc1cccc([O-])c1 T33983 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.4 Fc1cccc(Br)c1 T30352 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.4 Fc1cccc(I)c1 T21183 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 Fc1cccc(S)c1 T21187 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.4 Ic1cccc(I)c1 T21145 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.4 Oc1cccc(I)c1 T21200 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.2 CCc1occc(=O)c1O T5566 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.2 COc1cccc(Cl)c1Cl T1358 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.8 CCc1cc(C)cc(O)c1 T29396 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.30 CCc1nc(C)ccc1O T7875 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.30 CCc1nc(C)ccc1O T8624 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.30 COc1cc(C)ccc1O T20446 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.30 COc1cc(N)ccc1O T21072 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|0,0,1]=3 79 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.113 CC(O)c1cccc(N)c1 T21106 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.113 CN(C)c1cccc(C)c1 T21088 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.113 C[n+]1cccc(c1)C(N)=O T4853 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.172 CCc1cccc(C=C)c1 T34728 [1,1,0,0,0,0|0,0,1]=3 89 B10R1.172 CCc1cccc(C=O)c1 T21173 [1,1,0,0,0,0|0,0,1]=3 90 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 95 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.4 CCOc1ccccc1Br T20308 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,0]=2 102 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,0]=3 108 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|0,0,0]=2 110 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|0,0,0]=2 111 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|0,0,0]=2 118 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.187 NCCN1C(=O)C=CC1=O T15972 [0,1,0,0,1,0|2,0,0]=4 120 B12R1.17 CNCC(O)c1cccc(O)c1 T0453L [0,2,0,0,0,0|1,0,0]=3 121 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T17310 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.225 CC(N)C(C)c1cccc(Cl)c1 T33976 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.225 CC(N)C(O)c1cccc(O)c1 T0279L2 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279L [0,2,0,0,0,0|1,0,0]=3 127 B12R1.225 OC(C(Cl)Cl)c1cccc(Cl)c1 T30419 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T13655 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T20173 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.367 OCC(c1ccc(c(c1)O)O)O TQ0281 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.50 O=C(NC1=CC=CC(C)=C1)CO T29382 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.226 FC(F)CNc1cccc(Cl)c1 T30064 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.226 NC(=N)NCc1cccc([123I])c1 T32166 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.226 NC(N)=NCc1cccc(I)c1 T15588L [0,2,0,0,0,0|1,0,1]=4 142 B12R1.226 NC(NCC1=CC=CC(I)=C1)=N T15588 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.44 NCCc1cc(O)c(O)c(O)c1 T13512 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,2,0,0,0,0|0,0,0]=2 146 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.438 COc1cccc(CC(O)=O)c1 Fr13883 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352L [0,2,0,0,0,0|1,0,0]=3 150 B12R1.278 N#CCc1cccc(CC#N)c1 T21138 [0,2,0,0,0,0|0,0,2]=4 151 B12R1.279 CC(C)c1cccc(CCO)c1 T30357 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.286 COc1cc(CC=C)ccc1O T1297 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.286 COc1cc(CCN)ccc1O T4710 [0,2,0,0,0,0|0,0,0]=2 154 B12R1.286 COc1cc(CCN)ccc1O T8269 [0,2,0,0,0,0|0,0,0]=2 155 B12R1.286 COc1cc(CCO)ccc1O TN1742 [0,2,0,0,0,0|1,0,0]=3 156 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|1,0,0]=3 157 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|0,0,2]=4 158 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,1,0,1,0,0|1,0,1]=4 159 B12R2.221 Oc1ccc(Cl)c2CCCc12 T1253 [0,1,0,1,0,0|2,0,0]=4 160 B12R2.100 Cc1cc2nc[nH]c2cc1C T4824 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.8 NCCC1=CSC=N1 T29422 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.8 NCCc1c[nH]cn1 T0965 [1,0,0,0,1,0|2,0,0]=4 163 B8R1.8 NCCc1c[nH]cn1 T6535 [1,0,0,0,1,0|2,0,0]=4 164 B8R1.8 NCCc1cc[nH]n1 T8599 [1,0,0,0,1,0|2,0,0]=4 165 B8R1.8 NCCc1cnc[nH]1 T6534 [1,0,0,0,1,0|2,0,0]=4