0 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,0,0,0|1,0,0]=1 1 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,0,0,0|0,0,0]=0 3 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,0,0,0|0,0,0]=0 4 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,0,0,0|0,0,0]=1 5 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,0,0,0|1,0,0]=2 6 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,0,0,0|1,0,0]=2 7 B12R2.27 OC[C@@H]1O[C@H]1C2=CC=CC=C2 11278 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 11277 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 18679 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [0,0,1,0,0,0|2,0,0]=3 11 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,0,1,0,0,0|0,0,2]=3 12 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,0,1,0,0,0|1,0,0]=2 13 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,0,1,0,0,0|0,0,0]=1 14 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,0,1,0,0,0|1,0,0]=2 15 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,0,1,0,0,0|2,0,0]=3 17 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,0,1,0,0,0|2,0,0]=3 18 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,0,1,0,0,0|0,0,0]=1 19 B10R1.15 N#CC(N)c1ccccc1 28208 [0,0,1,0,0,0|1,0,2]=4 20 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,0,1,0,0,0|1,0,1]=3 22 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,0,1,0,0,0|1,0,1]=3 23 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,0,1,0,0,0|1,0,1]=3 24 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,0,1,0,0,0|1,0,0]=2 25 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,0,1,0,0,0|1,0,0]=2 26 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,0,1,0,0,0|1,0,0]=2 27 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,1,0,0,0|2,0,1]=4 28 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,0,1,0,0,0|2,0,0]=3 29 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,0,1,0,0,0|2,0,0]=3 30 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,0,1,0,0,0|2,0,0]=3 35 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,0,1,0,0,0|2,0,0]=3 36 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,0,1,0,0,0|2,0,0]=3 37 B10R1.17 BrCCCC1=CC=CC=C1 3832 [0,0,1,0,0,0|1,0,0]=2 38 B10R1.17 BrCCOC1=CC=CC=C1 3152 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.17 C#CCSC1=CC=CC=C1 15323 [0,0,1,0,0,0|2,0,1]=4 40 B10R1.17 C=CCOC1=CC=CC=C1 29359 [0,0,1,0,0,0|2,0,1]=4 41 B10R1.17 C=COCC1=CC=CC=C1 36172 [0,0,1,0,0,0|2,0,1]=4 42 B10R1.17 CCCCC1=CC=CC=C1 13571 [0,0,1,0,0,0|1,0,0]=2 43 B10R1.17 CCNCC1=NC=CC=C1 23918 [0,0,1,0,0,0|3,0,0]=4 44 B10R1.17 CNCCC1=CC=NC=C1 14195 [0,0,1,0,0,0|3,0,0]=4 45 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [0,0,1,0,0,0|1,0,2]=4 46 B10R1.17 ClCCOC1=CC=CC=C1 3167 [0,0,1,0,0,0|2,0,0]=3 47 B10R1.17 ClCCSC1=CC=CC=C1 36163 [0,0,1,0,0,0|2,0,0]=3 48 B10R1.17 ClCOCC1=CC=CC=C1 7566 [0,0,1,0,0,0|2,0,0]=3 49 B10R1.17 NCCCC1=CC=CN=C1 23791 [0,0,1,0,0,0|1,0,0]=2 50 B10R1.17 NCCOC1=CC=CC=C1 14773 [0,0,1,0,0,0|1,0,0]=2 51 B10R1.17 NCCOC1=CC=CC=C1 15299 [0,0,1,0,0,0|1,0,0]=2 52 B10R1.17 NNCCC1=CC=CC=C1 16246 [0,0,1,0,0,0|1,0,0]=2 53 B10R1.17 NNCOC1=CC=CN=C1 16450 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.17 OCC#CC1=CC=CC=C1 13580 [0,0,1,0,0,0|1,0,2]=4 55 B10R1.17 OCCCC1=CC=CC=C1 15023 [0,0,1,0,0,0|1,0,0]=2 56 B10R1.17 OCCCC1=CC=CN=C1 13083 [0,0,1,0,0,0|2,0,0]=3 57 B10R1.17 OCCCC1=CC=NC=C1 13084 [0,0,1,0,0,0|2,0,0]=3 58 B10R1.17 OCCCC1=NC=CC=C1 13082 [0,0,1,0,0,0|2,0,0]=3 59 B10R1.17 OCCSC1=CC=CC=C1 10784 [0,0,1,0,0,0|2,0,0]=3 60 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [0,0,1,0,0,0|2,0,1]=4 61 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [0,0,1,0,0,0|2,0,1]=4 62 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,1,0,0,0|2,0,1]=4 63 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,1,0,0,0|2,0,1]=4 64 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,1,0,0,0|2,0,1]=4 65 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,0,1,0,0,0|2,0,0]=3 66 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [0,0,1,0,0,0|3,0,0]=4 67 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,0,1,0,0,0|1,0,0]=2 68 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [0,0,1,0,0,0|2,0,1]=4 69 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,0,1,0,0,0|2,0,1]=4 70 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,0,1,0,0,0|2,0,1]=4 71 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,0,1,0,0,0|3,0,0]=4 72 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [0,0,1,0,0,0|3,0,0]=4 73 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,0,1,0,0,0|2,0,1]=4 74 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,1,0,0,0|1,0,0]=3 75 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,1,0,0,0|0,0,0]=2 76 B9R1.6 CN(C)C1=CC=NC=C1 2377 [1,0,1,0,0,0|2,0,0]=4 77 B9R1.6 CN(C)C1=NC=CC=C1 14996 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,1,0,0,0|1,0,0]=3 79 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,1,0,0,0|0,0,0]=2 80 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,1,0,0,0|0,0,0]=2 81 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,1,0,0,0|0,0,0]=2 82 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,0,1,0,0,0|2,0,0]=4 84 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,1,0,0,0|1,0,0]=3 85 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,1,0,0,0|0,0,0]=2 86 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,1,0,0,0|0,0,0]=2 87 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,0,1,0,0,0|2,0,0]=4 88 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,1,0,0,0|1,0,0]=3 89 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,0,1,0,0,0|2,0,0]=4 90 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,1,0,0,0|1,0,1]=4 91 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,1,0,0,0|1,0,1]=4 92 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,1,0,0,0|2,0,0]=4 93 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,1,0,0,0|2,0,0]=4 94 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,1,0,0,0|2,0,0]=4 95 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,1,0,0,0|0,0,2]=4 96 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,1,0,0,0|0,0,0]=2 97 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,1,0,0,0|1,0,0]=3 98 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,1,0,0,0|2,0,0]=4 99 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,1,0,0,0|2,0,0]=4 100 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,1,0,0,0|1,0,0]=3 101 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,1,0,0,0|1,0,0]=3 102 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,1,0,0,0|1,0,0]=3 103 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,1,0,0,0|1,0,0]=3 104 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,1,0,0,0|1,0,0]=3 105 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,1,0,0,0|1,0,0]=3 106 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,1,0,0,0|2,0,0]=4 107 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,1,0,0,0|2,0,0]=4 108 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,1,0,0,0|1,0,0]=3 109 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,1,0,0,0|1,0,0]=3 110 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,1,0,0,0|1,0,0]=3 111 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,1,0,0,0|1,0,0]=3 112 B9R1.8 NCCc1ccccc1 21077 [1,0,1,0,0,0|0,0,0]=2 113 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,1,0,0,0|1,0,0]=3 114 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,1,0,0,0|1,0,0]=3 115 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,1,0,0,0|1,0,0]=3 116 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,1,0,0,0|2,0,0]=4 117 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,1,0,0,0|2,0,0]=4 118 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,1,0,0,0|2,0,0]=4 119 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 21780 [0,1,1,0,0,0|1,0,1]=4 121 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 10047 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.12 CCN(CC)c1ccccc1 18261 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [0,1,1,0,0,0|0,0,0]=2 124 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,1,1,0,0,0|2,0,0]=4 125 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,1,1,0,0,0|1,0,0]=3 126 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,1,1,0,0,0|2,0,0]=4 127 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,1,1,0,0,0|1,0,1]=4 128 B11R1.16 C[C@@H](N=C=O)c1ccccc1 8096 [0,1,1,0,0,0|1,0,1]=4 129 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 8097 [0,1,1,0,0,0|1,0,1]=4 130 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,1,1,0,0,0|1,0,1]=4 132 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,1,1,0,0,0|2,0,0]=4 133 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,1,1,0,0,0|2,0,0]=4 134 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,1,1,0,0,0|2,0,0]=4 135 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,1,1,0,0,0|2,0,0]=4 136 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,1,1,0,0,0|2,0,0]=4 137 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,1,1,0,0,0|2,0,0]=4 138 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,1,1,0,0,0|1,0,1]=4 139 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,1,1,0,0,0|1,0,1]=4 140 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,1,1,0,0,0|1,0,0]=3 141 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,1,1,0,0,0|2,0,0]=4 142 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,1,1,0,0,0|2,0,0]=4 143 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,1,1,0,0,0|2,0,0]=4 144 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [0,1,1,0,0,0|1,0,1]=4 145 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [0,1,1,0,0,0|1,0,1]=4 146 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [0,1,1,0,0,0|1,0,1]=4 147 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,1,1,0,0,0|1,0,0]=3 148 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,1,1,0,0,0|1,0,0]=3 149 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,1,1,0,0,0|2,0,0]=4 150 B11R1.23 NCC(=O)c1cccc(Br)c1 31219 [0,1,1,0,0,0|1,0,1]=4 151 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 19650 [0,1,1,0,0,0|1,0,0]=3 152 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19371 [0,1,1,0,0,0|1,0,0]=3 153 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19372 [0,1,1,0,0,0|1,0,0]=3 154 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 5640 [0,1,1,0,0,0|2,0,0]=4 155 B11R1.23 OC(CBr)C1=CC(Cl)=CC=C1 5669 [0,1,1,0,0,0|2,0,0]=4 156 B11R1.23 O[C@H](CCl)C1=CC(Cl)=CC=C1 15567 [0,1,1,0,0,0|2,0,0]=4 157 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,1,0,0,0|1,0,1]=4 158 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,1,0,0,0|1,0,1]=4 159 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,1,0,0,0|1,0,1]=4 160 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,1,1,0,0,0|1,0,1]=4 161 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,1,1,0,0,0|1,0,1]=4 162 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,1,1,0,0,0|1,0,0]=3 163 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,1,1,0,0,0|2,0,0]=4 164 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [0,1,1,0,0,0|1,0,1]=4 165 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [0,1,1,0,0,0|1,0,1]=4 166 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [0,1,1,0,0,0|1,0,0]=3 167 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [0,1,1,0,0,0|1,0,0]=3 168 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,1,1,0,0,0|2,0,0]=4 169 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [0,1,1,0,0,0|1,0,0]=3 170 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [0,1,1,0,0,0|1,0,0]=3 171 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [0,1,1,0,0,0|1,0,0]=3 172 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [0,1,1,0,0,0|2,0,0]=4 173 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [0,1,1,0,0,0|2,0,0]=4 174 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [0,1,1,0,0,0|2,0,0]=4 175 B11R1.1 COCCc1ccc(O)cc1 27303 [0,1,1,0,0,0|2,0,0]=4 176 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [0,1,1,0,0,0|1,0,0]=3 177 B11R1.1 ClC1=CC=C(OCCBr)C=C1 17076 [0,1,1,0,0,0|2,0,0]=4 178 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [0,1,1,0,0,0|1,0,0]=3 179 B11R1.1 FC1=CC=C(OCCBr)C=C1 15003 [0,1,1,0,0,0|2,0,0]=4 180 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [0,1,1,0,0,0|0,0,2]=4 181 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [0,1,1,0,0,0|0,0,2]=4 182 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [0,1,1,0,0,0|2,0,0]=4 183 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [0,1,1,0,0,0|0,0,0]=2 184 B11R1.1 NCCOC1=CC=C(F)C=C1 13107 [0,1,1,0,0,0|1,0,0]=3 185 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [0,1,1,0,0,0|1,0,1]=4 186 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [0,1,1,0,0,0|1,0,1]=4 187 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [0,1,1,0,0,0|1,0,0]=3 188 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [0,1,1,0,0,0|1,0,0]=3 189 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [0,1,1,0,0,0|1,0,0]=3 190 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.17 FC1=C(OCCBr)C=CC=C1 16330 [0,1,1,0,0,0|2,0,0]=4 192 B11R1.17 NCCOC1=C(F)C=CC=C1 19159 [0,1,1,0,0,0|1,0,0]=3 193 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [0,1,1,0,0,0|1,0,1]=4 194 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [0,1,1,0,0,0|1,0,1]=4 195 B11R1.24 ClC1=CC=CC(OCCBr)=C1 27485 [0,1,1,0,0,0|2,0,0]=4 196 B11R1.24 NCCOC1=CC(F)=CC=C1 19158 [0,1,1,0,0,0|1,0,0]=3 197 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [0,1,1,0,0,0|1,0,0]=3 198 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [0,1,1,0,0,0|1,0,0]=3 199 B11R1.28 CCCCCC1=CC=CC=C1 16788 [0,1,1,0,0,0|1,0,0]=3 200 B11R1.28 CCCCOC1=CC=CC=C1 12529 [0,1,1,0,0,0|1,0,0]=3 201 B11R1.28 N#CCCNC1=CC=CC=C1 2335 [0,1,1,0,0,0|0,0,2]=4 202 B11R1.28 N#CCNCC1=CC=CC=C1 27728 [0,1,1,0,0,0|0,0,2]=4 203 B11R1.28 NCCSSC1=NC=CC=C1 11743 [0,1,1,0,0,0|2,0,0]=4 204 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [0,1,1,0,0,0|1,0,1]=4 205 B11R1.28 OCCCCC1=CC=CC=C1 3100 [0,1,1,0,0,0|1,0,0]=3 206 B11R1.28 OCCCCC1=CC=NC=C1 19155 [0,1,1,0,0,0|2,0,0]=4 207 B11R1.28 OCCNCC1=CC=CC=C1 12960 [0,1,1,0,0,0|1,0,0]=3 208 B11R1.28 OCCOCC1=CC=CC=C1 1939 [0,1,1,0,0,0|1,0,0]=3 209 B11R1.28 OCCSCC1=CC=CC=C1 10801 [0,1,1,0,0,0|1,0,0]=3 210 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,1,1,0,0,0|1,0,1]=4 211 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,1,1,0,0,0|1,0,1]=4 212 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,1,1,0,0,0|0,0,2]=4 213 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,1,1,0,0,0|0,0,2]=4 214 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,1,1,0,0,0|1,0,0]=3 215 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,1,1,0,0,0|1,0,0]=3 216 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,1,1,0,0,0|1,0,0]=3 217 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,1,1,0,0,0|0,0,0]=2 218 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,1,1,0,0,0|1,0,1]=4 220 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [0,1,1,0,0,0|1,0,1]=4 221 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,1,1,0,0,0|1,0,1]=4 222 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,1,1,0,0,0|1,0,1]=4 223 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,1,1,0,0,0|2,0,0]=4 224 B11R1.91 OB(O)CCc1ccccc1 14049 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,1,1,0,0,0|1,0,1]=4 226 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,1,1,0,0,0|1,0,1]=4 227 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,1,1,0,0,0|1,0,1]=4 228 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,1,1,0,0,0|1,0,1]=4 229 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,1,1,0,0,0|1,0,0]=3 230 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [0,1,1,0,0,0|2,0,0]=4 231 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [0,1,1,0,0,0|2,0,0]=4 232 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,1,1,0,0,0|2,0,0]=4 233 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,1,1,0,0,0|0,0,0]=2 234 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,1,1,0,0,0|1,0,1]=4 235 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,1,1,0,0,0|1,0,1]=4 236 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,1,1,0,0,0|1,0,1]=4 237 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,1,1,0,0,0|1,0,1]=4 238 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 3828 [0,1,1,0,0,0|2,0,0]=4 239 B11R1.86 CC(C)OC1=C(O)C=CC=C1 13205 [0,1,1,0,0,0|2,0,0]=4 240 B11R1.86 CC(C)SC1=C(N)C=CC=C1 31985 [0,1,1,0,0,0|2,0,0]=4 241 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,1,1,0,0,0|1,0,1]=4 242 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,1,1,0,0,0|1,0,1]=4 243 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,1,1,0,0,0|1,0,1]=4 244 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,1,1,0,0,0|1,0,1]=4 245 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [0,1,1,0,0,0|1,0,0]=3 246 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 14867 [0,1,1,0,0,0|2,0,0]=4 247 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [0,1,1,0,0,0|2,0,0]=4 248 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [0,1,1,0,0,0|2,0,0]=4 249 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [0,1,1,0,0,0|2,0,0]=4 250 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [0,1,1,0,0,0|2,0,0]=4 251 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 10753 [0,1,1,0,0,0|2,0,0]=4 252 B11R2.34 BrC1=CC=C(C2CC2)N=C1 22082 [1,1,0,0,0,0|1,0,0]=3 253 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [1,1,0,0,0,0|1,0,0]=3 254 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [1,1,0,0,0,0|1,0,0]=3 255 B11R2.34 BrC1=CN=C(C2CC2)N=C1 21772 [1,1,0,0,0,0|2,0,0]=4 256 B11R2.34 BrC1=NC=C(C2CC2)C=C1 27621 [1,1,0,0,0,0|1,0,0]=3 257 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [1,1,0,0,0,0|1,0,0]=3 258 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [1,1,0,0,0,0|1,0,0]=3 259 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [1,1,0,0,0,0|0,0,0]=2 260 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [1,1,0,0,0,0|0,0,0]=2 261 B11R2.35 BrC1=CC(C2CC2)=CC=C1 22120 [1,1,0,0,0,0|0,0,0]=2 262 B11R2.35 BrC1=CC(C2CC2)=CN=C1 22078 [1,1,0,0,0,0|1,0,0]=3 263 B11R2.35 BrC1=NC(C2CC2)=CC=C1 27622 [1,1,0,0,0,0|1,0,0]=3 264 B11R2.35 ClC1=CC=CC(C2CO2)=C1 32041 [1,1,0,0,0,0|1,0,0]=3 265 B11R2.35 ClC1=CC=CC([C@@H]2CO2)=C1 5666 [1,1,0,0,0,0|1,0,0]=3 266 B11R2.35 ClC1=CC=CC([C@H]2CO2)=C1 3901 [1,1,0,0,0,0|1,0,0]=3 267 B11R2.35 ClC1=NC(C2CC2)=CN=C1 20299 [1,1,0,0,0,0|2,0,0]=4 268 B11R2.40 NC1(C2=CC=CC=C2)CC1 13912 [1,1,0,0,0,0|0,0,0]=2 269 B11R2.40 NC1(C2=CC=CC=C2)CC1 22892 [1,1,0,0,0,0|0,0,0]=2 270 B13R2.151 O=C1CC(C2=CC(Br)=CC=C2)C1 11022 [0,1,0,0,0,1|1,0,1]=4 271 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O 24548 [0,1,0,0,0,1|1,0,1]=4 272 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@@H]1O 24545 [0,1,0,0,0,1|1,0,1]=4 273 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O 24544 [0,1,0,0,0,1|1,0,1]=4 274 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 24546 [0,1,0,0,0,1|1,0,1]=4 275 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@H]1O 24547 [0,1,0,0,0,1|1,0,1]=4 276 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 16222 [0,2,0,0,0,0|1,0,0]=3 277 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 22341 [0,2,0,0,0,0|1,0,0]=3 278 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,0,1,1,0,0|0,0,2]=4 279 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,0,1,1,0,0|1,0,1]=4 280 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,0,1,1,0,0|1,0,1]=4 281 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,0,1,1,0,0|0,0,0]=2 282 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,0,1,1,0,0|2,0,0]=4 283 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,0,1,1,0,0|2,0,0]=4 284 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,0,1,1,0,0|2,0,0]=4 285 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,0,1,1,0,0|2,0,0]=4 286 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [0,0,1,1,0,0|2,0,0]=4 287 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [0,0,1,1,0,0|1,0,0]=3 288 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [0,0,1,1,0,0|2,0,0]=4 289 B11R2.20 C1=CC2=C(CCCC2)N=C1 5891 [0,0,1,1,0,0|2,0,0]=4 290 B11R2.20 C1=CC2=C(N=C1)NCCO2 18891 [0,0,1,1,0,0|2,0,0]=4 291 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [0,0,1,1,0,0|2,0,0]=4 292 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [0,0,1,1,0,0|0,0,0]=2 293 B11R2.20 C1=CN=C2CCCOC2=C1 27198 [0,0,1,1,0,0|2,0,0]=4 294 B11R2.20 C1=NC=C2CCCNC2=C1 27821 [0,0,1,1,0,0|1,0,0]=3 295 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,0,1,1,0,0|0,0,0]=2 296 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [0,0,1,1,0,0|2,0,0]=4 297 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,0,1,1,0,0|1,0,1]=4 298 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [0,0,1,1,0,0|0,0,2]=4 299 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [0,0,1,1,0,0|1,0,1]=4 300 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [0,0,1,1,0,0|0,0,0]=2 301 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [0,0,1,1,0,0|0,0,0]=2 302 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [0,0,1,1,0,0|1,0,0]=3 303 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,0,1,1,0,0|1,0,1]=4 304 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,0,1,1,0,0|1,0,1]=4 305 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,0,1,1,0,0|1,0,0]=3 306 B9R1.13 CC(N)CC1=CC=CS1 24782 [0,0,1,0,1,0|1,0,0]=3 307 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 20106 [0,0,0,0,0,2|1,0,0]=3 308 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 21322 [0,0,0,0,0,2|2,0,0]=4 309 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 22707 [0,0,0,0,0,2|1,0,1]=4 310 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 6076 [0,0,0,0,0,2|1,0,1]=4 311 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 6077 [0,0,0,0,0,2|1,0,1]=4 312 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 22369 [0,0,0,0,0,2|1,0,0]=3