0 B10R1.15 C#CC(=O)C1=CC=CC=C1 DY551139 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.15 C#CC(O)C1=CC=CC=C1 DY460116 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 C#CC(O)C1=CC=NC=C1 NO16716 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 C#CC(O)C1=NC=CC=C1 DY717033 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 DY565311 [0,0,0,0,0,0|0,0,2]=2 5 B10R1.15 C=C(CBr)C1=CC=CC=C1 NO20091 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 CC(NN)C1=CC=CN=C1 DY656338 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 CCC(=O)C1=CC=NC=C1 DY584353 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 CCC(C)C1=NC=CN=C1 DY710905 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.15 CCS(=O)C1=CC=CC=C1 DY746839 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.15 CC[C@H](N)C1=CC=NC=C1 DY623825 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 CN(C=O)C1=CC=CC=C1 NO11793 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 COC(=O)C1=CC=NC=C1 NO18945 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.15 COC(=O)C1=CN=CC=C1 NO19425 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.15 COC(=O)C1=NC=CC=C1 NO19684 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.15 COS(=O)C1=CC=CC=C1 DY566439 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 NC(CO)C1=CC=CN=C1 DY654840 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.15 NC(CO)C1=NC=CC=C1 DY111155 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.15 NC(CO)C1=NC=CC=C1 DY509906 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 NCC(=O)C1=CC=CC=C1 NO10874 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.15 NNC(=O)C1=CC=CC=C1 NO10971 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.15 NNC(=S)C1=CC=CC=C1 DY721675 [0,0,0,0,0,0|2,1,1]=4 29 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 N[C@H](CO)C1=NC=CC=C1 DY624391 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.15 O=C(CBr)C1=CC=CC=C1 NO19274 [0,0,0,0,0,0|1,0,2]=3 33 B10R1.15 O=C(CBr)C1=CC=NC=C1 NO20175 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.15 O=NN(O)C1=CC=CC=C1 DY791781 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.15 O=NN([O-])c1ccccc1 DY822384 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.6 CC(=O)C1=CC=NC=C1 NO22535 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.6 CC(Br)C1=NC=CN=C1 DY710527 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 CC(C)C1=NC=CC=C1 NO21621 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 CC(N)C1=CC=CC=C1 DY457042 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.6 CC(N)C1=CC=CN=N1 DY526767 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.6 CC(N)C1=NC=CN=C1 NO12997 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 CC(O)C1=CN=CN=C1 DY572325 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 CC(O)C1=NC=CC=C1 NO20801 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 CN(C)C1=CC=NC=C1 NO13386 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 CS(=O)C1=CC=CC=C1 DY510356 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY553203 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY621669 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 C[C@@H](O)C1=NC=CC=C1 DY20310 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.6 C[C@@H](O)C1=NC=CC=N1 DY621675 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 C[C@H](N)C1=CC=CN=C1 DY546027 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 C[C@H](N)C1=NC=CC=C1 NO15370 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 C[C@H](O)C1=CC=CN=N1 DY586498 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 C[PH](=O)C1=CC=CC=C1 NO16386 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.6 C[S@@](=O)C1=CC=CC=C1 DY621380 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.6 ClP(Cl)C1=CC=CC=C1 DY822051 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.6 N=C(N)C1=CC=CC=C1 NO14830 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.6 O=C(Br)C1=CC=CC=C1 DY585100 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.6 O=C(Cl)C1=CC=CC=C1 DY40435 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.6 O=C(O)C1=CC=CN=C1 DY41633 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.6 O=C(O)C1=NC=CC=C1 NO13384 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.6 O=C([O-])C1=CC=CC=C1 DY558819 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.6 O=[PH](O)C1=CC=CC=C1 DY532299 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.6 OB(O)C1=CC=CC=C1 NO19450 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.6 OB(O)C1=CC=CN=C1 NO17797 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.6 OB(O)C1=CC=NC=C1 NO22018 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 OB(O)C1=NC=CC=C1 DY20201 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [1,0,0,0,0,0|0,0,2]=3 74 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.8 CCOC1=CC=CN=N1 DY736406 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 CCOC1=NC=CN=C1 NO21524 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.8 CNCC1=CC=NC=C1 DY712153 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.8 CSCC1=NC=CN=C1 DY710935 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 N#CCC1=CC=NC=C1 NO20239 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.8 N#C[Se]C1=CC=CC=C1 DY822031 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.8 NCCC1=CN=CN=C1 DY693160 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 NCCC1=NC=CC=N1 DY510693 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 NNCC1=CC=CC=C1 NO11006 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.8 NNCC1=CC=CC=C1 NO12127 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 NNCC1=CC=NC=C1 DY518961 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.8 NNCC1=NC=CC=C1 DY578445 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.8 NOCC1=CC=CC=C1 NO14063 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 OCCC1=CN=CN=C1 NO12401 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 ONCC1=CC=CC=C1 DY563853 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.8 ONCC1=CC=CC=C1 NO11753 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.7 CC(C)(CO)C1=CC=CC=C1 DY447077 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.7 CC(O)(C#N)C1=CC=NC=C1 DY716402 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.7 CCC(C)(C)C1=CC=CC=C1 DY460530 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.12 CCB(CC)C1=CC=CN=C1 DY10329 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.12 CCC(CN)C1=CC=CC=C1 DY745495 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.12 CCC(NC)C1=CC=CN=C1 DY604352 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.12 CCN(CC)C1=CC=CC=C1 DY822061 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.12 CC[C@@H](CO)C1=CC=CC=C1 DY622143 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 DY822222 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.12 CN[C@H](C#N)C1=CC=CC=C1 DY518115 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 NO17955 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.12 COC(OC)C1=NC=NC=C1 NO18195 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.12 COC(OC)c1ccccc1 NO10959 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.12 N#CC(C#N)C1=CC=CC=C1 DY746965 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.12 N#C\C(=N/O)C1=CC=CC=C1 DY798357 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.12 OCC(CO)C1=CC=CC=C1 NO21198 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.16 CC(N=C=O)c1ccccc1 DY587056 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.16 CCOC(=N)C1=CC=CC=C1 DY744223 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.16 CCOC(=N)C1=CN=CC=C1 DY714620 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.16 CCOC(=O)C1=CN=CC=C1 NO19194 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.16 CCOC(=O)C1=NC=CC=C1 NO14035 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.16 CN(CCN)C1=CC=CC=C1 NO11704 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.16 CNCC(=O)C1=CC=CC=C1 DY794643 [0,1,0,0,0,0|0,0,2]=3 128 B11R1.16 CNCC(O)C1=CC=CC=C1 DY446674 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.16 CNCC(O)C1=CC=CN=C1 DY585887 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.16 COC[C@H](N)C1=CC=CN=C1 DY716756 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.16 C[C@@H](N=C=S)c1ccccc1 DY543741 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 DY20438 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.16 ClCCC(Cl)C1=CC=CC=C1 DY522237 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.16 N#CCC(=O)C1=CC=CC=C1 NO10995 [0,1,0,0,0,0|0,0,3]=4 135 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.16 O=[P+](OCO)C1=CC=CC=C1 DY796893 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.16 OC(CCCl)C1=CC=CC=C1 NO22197 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.16 OCCC(O)C1=CC=NC=C1 DY548901 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 NO10897 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 DY20313 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.22 CC(CO)C1=CC=C(Br)C=C1 DY454677 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 DY563697 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 NO22698 [0,1,0,0,0,0|0,0,2]=3 144 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 NO22795 [0,1,0,0,0,0|0,0,2]=3 145 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 NO20436 [0,1,0,0,0,0|1,0,2]=4 146 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 NO22846 [0,1,0,0,0,0|0,0,2]=3 147 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 DY584618 [0,1,0,0,0,0|0,0,2]=3 148 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 NO15690 [0,1,0,0,0,0|0,0,2]=3 149 B11R1.22 CCC(=O)C1=CC=C(S)C=C1 DY747823 [0,1,0,0,0,0|0,0,2]=3 150 B11R1.22 CCC(=O)C1=NC=C(C)C=C1 DY652527 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 NO18281 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.22 CCC(N)C1=CC=C(O)C=C1 DY605123 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 DY621657 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 DY623735 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 NO15303 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.22 COC(=O)C1=CC=C(F)C=C1 NO20841 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.22 COC(=O)C1=CC=C(I)C=C1 NO20853 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.22 COC(=O)C1=CC=C(N)C=C1 NO20990 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.22 COC(=O)C1=CC=C(O)C=C1 NO19446 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.22 C[C@H](CO)C1=CC=C(F)C=C1 DY624193 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 NO10839 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 DY570813 [0,1,0,0,0,0|1,0,2]=4 163 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 NO20894 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.22 NCC(O)C1=CC=C(F)C=C1 DY746641 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 DY507920 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 NO19445 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 NO20678 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 NO10771 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 NO14324 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 DY41236 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.23 C=CC(O)C1=CC(Br)=CC=C1 DY745051 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 DY41278 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 DY652484 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.23 CCC(=O)C1=CC(C)=CC=C1 DY745657 [0,1,0,0,0,0|0,0,2]=3 175 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 DY41284 [0,1,0,0,0,0|0,0,2]=3 176 B11R1.23 CCC(N)C1=NC(C)=CC=C1 DY606027 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.23 CC[C@@H](N)C1=CC(Cl)=CC=C1 DY508850 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 DY585435 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.23 CN[C@H](C)C1=CC(F)=CC=C1 DY744907 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 NO20038 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 NO11622 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.23 COC(=O)C1=CC(I)=CC=C1 NO19204 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.23 COC(=O)C1=CC(N)=CC=C1 DY40055 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.23 COC(=O)C1=CC(O)=CC=C1 NO13404 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.23 NC(CO)C1=CC(Br)=CC=C1 DY535233 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 DY518181 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.23 NCC(O)C1=CC=CC(O)=C1 DY556047 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 DY530577 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 DY741673 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 DY513939 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.23 N[C@H](CO)C1=CC(Cl)=CC=C1 DY563793 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 NO19056 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 NO15383 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 DY20163 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 DY584626 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.36 CC(Br)C(=O)C1=CC=NC=C1 DY716660 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 NO14544 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 DY662080 [0,1,0,0,0,0|1,0,2]=4 199 B11R1.36 CC(C)C(O)C1=CC=NC=C1 DY531375 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.36 CC(C)C(O)c1ccccc1 DY822221 [0,1,0,0,0,0|0,0,0]=1 201 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 DY567369 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 DY625015 [0,1,0,0,0,0|0,0,0]=1 203 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 DY789267 [0,1,0,0,0,0|0,0,2]=3 204 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 NO10890 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 DY620130 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.36 ClC(Cl)C(Cl)C1=CC=CC=C1 DY530469 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 NO15488 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 NO14083 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 NO15858 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 NO11192 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.36 O=C(C1=CC=CC=C1)C(F)F DY552861 [0,1,0,0,0,0|1,0,2]=4 212 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 NO15279 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 NO10862 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 NO10861 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 NO15813 [0,1,0,0,0,0|0,0,2]=3 216 B11R1.222 CCC(C)C1=C(N)C=CC=C1 NO21765 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 NO14530 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 NO20442 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 DY20192 [0,1,0,0,0,0|1,0,2]=4 220 B11R1.222 COC(=O)C1=C(F)C=CC=C1 NO11605 [0,1,0,0,0,0|1,0,2]=4 221 B11R1.222 COC(=O)C1=C(I)C=CC=C1 NO15277 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 NO15388 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 DY746437 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.222 O=C(CBr)C1=C(Br)C=CC=C1 DY795819 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 NO14555 [0,1,0,0,0,0|1,0,2]=4 226 B11R2.1 CC1=CCC2=CC=CC=C12 DY106180 [0,0,0,1,0,0|1,0,2]=4 227 B11R2.1 CC1CCC2=NC=CN=C21 DY543411 [0,0,0,1,0,0|3,0,0]=4 228 B11R2.1 CC1CNC2=NC=CC=C21 DY739061 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.1 NC1=NCC2=CC=CC=C21 DY459738 [0,0,0,1,0,0|2,0,1]=4 230 B11R2.1 NC1CCC2=CC=CC=C21 NO19275 [0,0,0,1,0,0|1,0,0]=2 231 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 NO19803 [0,0,0,1,0,0|1,0,0]=2 232 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO16005 [0,0,0,1,0,0|1,0,0]=2 233 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO20307 [0,0,0,1,0,0|1,0,0]=2 234 B11R2.1 N[C@H]1CCC2=NC=CC=C21 DY515745 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.1 O=C1CCC2=CC=CC=C12 NO18668 [0,0,0,1,0,0|0,0,2]=3 236 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [0,0,0,1,0,0|1,0,2]=4 237 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [0,0,0,1,0,0|1,0,2]=4 238 B11R2.1 O=C1CSC2=C1C=CC=C2 NO20606 [0,0,0,1,0,0|1,0,2]=4 239 B11R2.1 O=C1NCC2=CC=CC=C12 NO11515 [0,0,0,1,0,0|1,0,2]=4 240 B11R2.1 O=C1OCC2=CC=CC=C12 NO11853 [0,0,0,1,0,0|1,0,2]=4 241 B11R2.1 OC1CCC2=CC=CN=C21 NO10573 [0,0,0,1,0,0|1,0,0]=2 242 B11R2.1 ON1N=NC2=C1C=CC=C2 NO19338 [0,0,0,1,0,0|3,0,0]=4 243 B11R2.1 ON1N=NC2=C1C=CC=C2 NO22993 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 DY567765 [0,0,0,1,0,0|0,0,0]=1 245 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 DY559809 [0,0,0,1,0,0|2,0,0]=3 246 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 DY537225 [0,0,0,1,0,0|2,0,0]=3 247 B11R2.40 FC1(C2=CC=CC=C2)N=N1 DY770607 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.40 NC1(C2=CC=CN=C2)CC1 DY557109 [0,0,0,1,0,0|2,0,0]=3 249 B11R2.40 NC1(C2=NC=CN=C2)CC1 DY514569 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.40 NC1(c2ncccn2)CC1 DY104702 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.239 C1=CC(C2CCC2)=CC=N1 DY576525 [0,0,0,1,0,0|2,0,0]=3 252 B11R2.239 C1=CC=C(C2CCO2)C=C1 DY732709 [0,0,0,1,0,0|0,0,0]=1 253 B11R2.239 C1=CN=C(C2COC2)C=C1 DY732907 [0,0,0,1,0,0|3,0,0]=4 254 B9R1.11 CCC(N)C1=CN=CN1 DY517449 [0,0,0,0,1,0|3,0,0]=4 255 B9R1.11 CNC(C)C1=CC=CS1 DY609452 [0,0,0,0,1,0|3,0,0]=4 256 B9R1.11 N[C@H](CO)C1=CSC=C1 DY511965 [0,0,0,0,1,0|3,0,0]=4 257 B11R1.40 CCC(=O)OC1=CC=CC=C1 DY584283 [0,0,0,0,0,1|0,0,2]=3 258 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [0,0,0,0,0,1|1,0,0]=2 259 B11R1.40 CNC(=O)OC1=CC=CC=C1 DY584385 [0,0,0,0,0,1|1,0,2]=4 260 B11R1.40 CNC(=S)NC1=CC=CC=C1 DY793797 [0,0,0,0,0,1|1,1,1]=4 261 B11R1.40 CNC(C)CC1=CC=NC=C1 DY716696 [0,0,0,0,0,1|3,0,0]=4 262 B11R1.40 N#CC(N)CC1=CC=CC=C1 DY581085 [0,0,0,0,0,1|2,0,1]=4 263 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 DY569337 [0,0,0,0,0,1|2,0,1]=4 264 B11R1.40 NCC(O)CC1=CC=CC=C1 DY745903 [0,0,0,0,0,1|1,0,0]=2 265 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [0,0,0,0,0,1|2,0,0]=3 266 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [0,0,0,0,0,1|2,0,0]=3 267 B11R1.40 [C-]#[N+][C@@H](C)CC1=CC=CC=C1 DY744979 [0,0,0,0,0,1|2,0,1]=4 268 B8R0.4 CCC\C=C\C=C\CO NO17006 [1,0,1,0,0,0|1,0,1]=4 269 B8R1.2 BrCC1=CC=NC=C1 NO22459 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 C#CC1=CC=CC=C1 NO19127 [2,0,0,0,0,0|0,0,2]=4 271 B8R1.2 CCC1=CC=CN=C1 NO22277 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 CCC1=NC=CN=C1 NO21534 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 CNC1=CC=CC=C1 NO11792 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 CNC1=CC=CN=C1 NO13856 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 COC1=CC=CN=C1 NO22348 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 COC1=CC=NC=C1 NO19206 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 COC1=CC=[C-]C=C1 DY747109 [2,0,0,0,0,0|1,0,1]=4 278 B8R1.2 COC1=NC=CC=C1 NO18780 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 ClCC1=CC=CN=C1 NO19291 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 ClCC1=NC=CC=C1 NO19289 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 ClSC1=CC=CC=C1 DY799077 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 ICC1=CC=CC=C1 NO11000 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 N#Cc1ccccc1 NO13696 [2,0,0,0,0,0|1,0,1]=4 284 B8R1.2 NCC1=CC=CN=C1 NO14226 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 NCC1=CC=NC=C1 NO11906 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 NCC1=CC=NC=C1 NO19023 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 NCC1=NC=CC=C1 DY663911 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 NNC1=CC=CC=C1 NO15210 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 OCC1=CC=CN=C1 NO22409 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.2 OCC1=CC=CN=N1 NO21870 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 OCC1=CC=NC=C1 NO19163 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 OCC1=CN=CN=C1 DY444370 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 OCC1=NC=CC=C1 NO19164 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 OCC1=NC=CC=N1 NO19924 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 OCC1=NC=CN=C1 NO21749 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 OCC1=NC=NC=C1 NO11915 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.13 C=C(C)C1=CC=C(C)C=C1 DY790917 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 NO19447 [1,1,0,0,0,0|0,0,2]=4 299 B10R1.13 CC(=O)C1=CC=C(C)C=C1 NO13558 [1,1,0,0,0,0|0,0,2]=4 300 B10R1.13 CC(=O)C1=CC=C(F)C=C1 NO14299 [1,1,0,0,0,0|0,0,2]=4 301 B10R1.13 CC(=O)C1=CC=C(N)C=C1 DY20162 [1,1,0,0,0,0|0,0,2]=4 302 B10R1.13 CC(=O)C1=CC=C(N)C=C1 DY795321 [1,1,0,0,0,0|0,0,2]=4 303 B10R1.13 CC(=O)C1=CC=C(O)C=C1 NO22884 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.13 CC(=O)c1ccc(I)cc1 DY433245 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.13 CC(Br)C1=CC=C(F)C=C1 NO16140 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.13 CC(C)C1=CC=C(Br)C=C1 NO19162 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.13 CC(C)C1=CC=C(F)C=C1 DY584364 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.13 CC(C)C1=CC=C(N)C=C1 NO22915 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.13 CC(C)C1=CC=C(N)C=N1 NO22406 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 CC(C)C1=CC=C(O)C=C1 DY583593 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.13 CC(C)C1=CN=C(N)C=C1 NO21752 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 CC(N)C1=CC=C(F)C=C1 DY40832 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 CC(N)C1=CC=C(N)C=C1 NO22422 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.13 CC(O)C1=CC=C(Br)C=C1 DY448036 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 DY549597 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.13 CC(O)C1=CN=C(Cl)N=C1 DY516081 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.13 CC(O)C1=NC=C(Br)C=C1 DY446891 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.13 CC1=CC=C(B(O)O)C=C1 NO10128 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.13 CC1=CC=C([C@@H](C)N)C=N1 DY716654 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 DY545757 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.13 CC1=CN=C(C(C)N)C=C1 DY577449 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 DY511971 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.13 CN(C)C1=CC=C(Br)C=C1 NO15132 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 DY20289 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.13 CN(C)C1=CC=C(O)C=C1 NO16528 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 NO20256 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 DY565797 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.13 C[C@@H](N)C1=NC=C(Br)C=C1 DY621591 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 DY651938 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 DY554067 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 DY541875 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 NO16980 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.13 Cc1ccc(C(C)C)cc1 DY444976 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.13 NC1=CC=C(B(O)O)C=C1 DY442888 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.13 NC1=CC=C(B(O)O)C=C1 DY707539 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.13 NC1=CC=C(B(O)O)C=C1 NO19513 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.13 NC1=CC=C(C(F)F)C=C1 NO17592 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 NO20082 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 NO15821 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 O=C(O)C1=CC=C(I)C=C1 NO20135 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 O=C(O)C1=CC=C(O)C=C1 NO22885 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 DY746683 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.13 OB(O)C1=CC=C(Br)C=C1 NO19222 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 NO19227 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.13 OB(O)C1=CC=C(F)C=C1 NO23000 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.13 OB(O)C1=CC=C(I)C=C1 NO22011 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 OB(O)C1=CC=C(O)C=C1 NO19452 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.13 OB(O)C1=CC=C(S)C=C1 DY20067 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 OC1=CC=C(C(F)F)C=C1 NO15692 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.28 CC(C)(C)C1=CC=CN=C1 DY430933 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.28 CC(C)(C)C1=CC=NC=C1 NO10123 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.28 CC(C)(N)C1=CC=CN=C1 DY583827 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.28 CC(F)(F)C1=CC=CN=C1 DY656314 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 NO12052 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 NO11135 [1,1,0,0,0,0|1,1,0]=4 356 B10R1.28 FC(F)(Cl)C1=CC=CC=C1 DY794565 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 NO18866 [1,1,0,0,0,0|0,0,2]=4 358 B10R1.61 CC(=O)C1=C(C)C=CC=C1 NO19710 [1,1,0,0,0,0|0,0,2]=4 359 B10R1.61 CC(=O)C1=C(F)C=CC=C1 NO15490 [1,1,0,0,0,0|0,0,2]=4 360 B10R1.61 CC(=O)C1=C(N)C=CC=C1 NO19948 [1,1,0,0,0,0|0,0,2]=4 361 B10R1.61 CC(=O)C1=C(O)C=CC=C1 DY790197 [1,1,0,0,0,0|0,0,2]=4 362 B10R1.61 CC(=O)C1=C(O)C=CC=C1 NO15026 [1,1,0,0,0,0|0,0,2]=4 363 B10R1.61 CC(C)C1=C(Br)C=CC=C1 NO19988 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.61 CC(Cl)C1=C(F)C=NC=C1 DY501981 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.61 CC(N)C1=CC=CN=C1F DY714055 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.61 CC1=C(B(O)O)C=CC=C1 NO20397 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.61 CC1=C(C(=O)O)C=CC=C1 NO19823 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.61 CC1=C(C(C)N)C=CC=C1 DY788943 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.61 CC1=C([C@H](C)O)C=CC=C1 DY822244 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.61 CC1=CC=CN=C1C(C)N DY604773 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.61 CN(C)C1=C(Br)C=CC=C1 DY20183 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 DY20288 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.61 CN(C)C1=C(F)C=CC=C1 DY20285 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.61 CN(C)C1=C(O)C=CC=C1 NO14782 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.61 CN(C)C1=CC=CC=C1N NO14204 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 DY516003 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.61 C[C@@H](N)C1=NC=CC=C1Br DY621531 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 NO13547 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 DY459372 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 NO20301 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 NO20318 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 NO15513 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 DY548415 [1,1,0,0,0,0|0,0,0]=2 384 B10R1.61 C[C@H](O)C1=CC=CN=C1N DY581181 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 NO16216 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.61 O=C(O)C1=C(F)C=CC=C1 NO10366 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.61 O=C(O)C1=C(I)C=CC=C1 NO20137 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DY40297 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.61 O=C(O)C1=CC=CC=C1O DY576081 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.61 OB(O)C1=C(Br)C=CC=C1 NO21842 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 NO19224 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.61 OB(O)C1=C(F)C=CC=C1 NO16291 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.61 OB(O)C1=C(O)C=CC=C1 NO21880 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 NO18865 [1,1,0,0,0,0|0,0,2]=4 395 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 NO19798 [1,1,0,0,0,0|0,0,2]=4 396 B10R1.113 CC(=O)C1=CC(F)=CC=C1 NO19067 [1,1,0,0,0,0|0,0,2]=4 397 B10R1.113 CC(=O)C1=CC(N)=CC=C1 NO19441 [1,1,0,0,0,0|0,0,2]=4 398 B10R1.113 CC(=O)C1=CC(O)=CC=C1 NO18681 [1,1,0,0,0,0|0,0,2]=4 399 B10R1.113 CC(=O)C1=CC=CC(C)=C1 NO19159 [1,1,0,0,0,0|0,0,2]=4 400 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 DY454324 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.113 CC(C)C1=NC=CC(Br)=C1 DY579081 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.113 CC(N)C1=CC(Br)=CC=C1 DY447729 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 DY797607 [1,1,0,0,0,0|0,0,0]=2 404 B10R1.113 CC(O)C1=CC(N)=CC=C1 NO21787 [1,1,0,0,0,0|0,0,0]=2 405 B10R1.113 CC(O)C1=NC(Br)=CC=C1 NO14015 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.113 CC1=CC(B(O)O)=CC=C1 NO10529 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY561633 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY605899 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 NO17345 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.113 CC1=CC=CC(C(=O)O)=C1 NO19799 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.113 CC1=CC=CC([C@@H](C)N)=N1 DY511947 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.113 CC1=NC=CC(C(C)N)=C1 DY110560 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.113 CN(C)C1=CC(N)=CC=C1 DY550845 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.113 CN(C)C1=CC(N)=CC=C1 DY584521 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 NO19312 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.113 C[C@@H](N)C1=CC(F)=CN=C1 DY106300 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.113 C[C@@H](N)C1=CC(F)=CN=C1 DY621603 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.113 C[C@@H](N)C1=CC(F)=NC=C1 DY621477 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 DY558015 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 DY716816 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 NO19671 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.113 C[C@H](N)C1=CC(F)=NC=C1 DY623626 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.113 FC(F)C1=CC(I)=CC=C1 DY584299 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.113 NC1=CC=CC(B(O)O)=C1 NO18152 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.113 NC1=CC=CC(B(O)O)=C1 NO19512 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.113 NC1=CC=CC(C(=O)O)=C1 NO13396 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 NO15122 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 NO14882 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.113 O=C(O)C1=CC(F)=CC=C1 NO10368 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.113 O=C(O)C1=CC(I)=CC=C1 NO10375 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.113 O=C(O)C1=CC(O)=CC=C1 NO19800 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.113 O=C(O)C1=CC(S)=CC=C1 DY20304 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.113 OB(O)C1=CC(Br)=CC=C1 NO19219 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 NO22999 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.113 OB(O)C1=CC(F)=CC=C1 NO21930 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.1 BrCCC1=CC=C(Br)C=C1 DY531753 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.1 CC#CC1=CC=C(Br)C=C1 DY788811 [1,1,0,0,0,0|0,0,2]=4 438 B10R1.1 CC1=CC=C(CC#N)C=C1 NO21709 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.1 CC1=CC=C(CNN)C=C1 NO20201 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.1 CCCC1=CC=C(Br)C=C1 NO10896 [1,1,0,0,0,0|0,0,0]=2 444 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.1 CCNC1=CC=C(Cl)C=C1 DY745663 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.1 CCNC1=NC=C(Br)C=C1 DY659768 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.1 CCOC1=CC=C(I)C=C1 NO22907 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.1 CCOC1=CC=C(N)C=C1 NO11879 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.1 CCOC1=CC=C(O)C=C1 DY563859 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.1 CCOC1=CN=C(N)C=C1 NO15063 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.1 CCOC1=NC=C(Br)C=C1 NO22026 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.1 CCOC1=NC=C(N)C=C1 NO14713 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.1 CNCC1=CC=C(Br)C=C1 NO19272 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.1 CNCC1=CC=C(Cl)C=C1 DY455886 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.1 CNCC1=CC=C(Cl)N=C1 DY511497 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.1 CNCC1=CC=C(F)C=C1 DY585104 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.1 COCC1=CC=C(O)C=N1 DY712897 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.1 CSCC1=CN=C(Cl)C=C1 DY606927 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.1 CSCC1=NC=C(Br)C=C1 DY112104 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.1 ClC1=CC=C(CCBr)C=C1 NO10835 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.1 ClCCC1=CN=C(Cl)C=C1 DY714175 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.1 FC1=CC=C(CCBr)C=C1 NO10866 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.1 FC1=CC=C(CCCl)C=C1 DY584346 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.1 N#CCC1=CC=C(Br)C=C1 NO20687 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.1 N#CCC1=CC=C(Cl)C=C1 DY20790 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.1 N#CCC1=CC=C(F)C=C1 NO14479 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.1 N#CCC1=CC=C(O)C=C1 DY522681 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.1 NC1=CC=C(CCO)C=C1 NO13450 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.1 NCCC1=CC=C(Br)C=C1 NO19296 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.1 NCCC1=CC=C(F)C=C1 NO13766 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY570291 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY583979 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.1 NNCC1=CC=C(F)C=C1 DY567861 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.1 NNCC1=CC=C(F)C=C1 NO17057 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.1 O=CCC1=CC=C(Br)C=C1 NO18203 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.1 OCCC1=CC=C(Br)C=C1 NO14491 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.1 OCCC1=CC=C(Cl)C=C1 NO22791 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.1 OCCC1=CC=C(Cl)N=C1 DY509192 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.1 OCCC1=CC=C(O)C=C1 NO20458 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.4 CC1=NC=CC=C1CCN DY653840 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.4 CCCC1=CN=CN=C1Cl DY544407 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.4 CCOC1=C(Br)C=CC=C1 DY20149 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.4 CCOC1=C(C)C=CN=C1 DY711121 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.4 CCOC1=C(F)C=CC=C1 DY452620 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.4 CCOC1=C(N)C=NC=C1 DY712177 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.4 CCOC1=CC=CN=C1Br DY712381 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.4 CCOC1=CC=CN=C1Cl DY564873 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.4 CCOC1=NC=CC=C1Br DY452812 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.4 CNCC1=CC=CN=C1C DY711673 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.4 CNCC1=CC=CN=C1Cl DY610776 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.4 COCC1=C(Br)C=NC=C1 DY714049 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.4 N#CCC1=C(Br)C=CC=C1 NO10707 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.4 N#CCC1=C(Cl)C=CC=C1 NO21495 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.4 N#CCC1=C(F)C=CC=C1 NO20772 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.4 N#CCC1=C(N)C=CC=C1 NO20914 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.4 NNCC1=C(F)C=CC=C1 NO20134 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.10 CC#CC1=CC=CC(C)=C1 DY788763 [1,1,0,0,0,0|0,0,2]=4 507 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.10 CCCC1=CN=CC(O)=C1 DY660255 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.10 CCNC1=NC=CC(Cl)=C1 DY658481 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.10 CCNC1=NC=CC(N)=C1 NO14774 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.10 CCOC1=CC(N)=NC=C1 DY20309 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.10 CCOC1=CC=CC(Cl)=N1 DY655578 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.10 COCC1=CC(Br)=NC=C1 DY655107 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.10 N#CCC1=CC(Br)=CC=C1 NO18969 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.10 N#CCC1=CC(Cl)=CC=C1 NO13745 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.10 N#CCC1=CC(F)=CC=C1 DY20212 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.10 N#CCC1=CC(I)=CC=C1 DY584378 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.10 NCCc1cccc(O)c1 DY552393 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.10 NNCC1=CC(Cl)=CC=C1 DY544953 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.10 NNCC1=CC(O)=CC=C1 DY10382 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.17 BrCCCC1=CC=CN=C1 DY604503 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.17 ClCCCC1=CC=CN=C1 DY656440 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [1,1,0,0,0,0|0,0,2]=4 541 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [1,1,0,0,0,0|0,0,2]=4 542 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.17 NCCCC1=CC=NC=C1 DY425564 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.17 NCCCC1=NC=CC=N1 DY737570 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.17 NCCNC1=CC=NC=C1 DY657683 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.17 NCCNC1=NC=CC=C1 NO11746 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.17 NCCOC1=CC=CN=C1 NO16368 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.17 NNCCc1ccccc1 DY527511 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.17 OCCCC1=CN=CN=C1 DY693694 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [1,1,0,0,0,0|0,0,2]=4 556 B10R1.18 CC(=O)CC1=CC=CN=C1 DY567891 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.18 CC(=O)CC1=CC=NC=C1 NO20988 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.18 CC(=O)CC1=NC=CC=C1 NO20802 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.18 CC(C)NC1=CC=CC=C1 NO11787 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.18 CC(C)NC1=CC=NC=C1 DY663647 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.18 CC(N)CC1=NC=CC=C1 DY652737 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.18 CC(O)CC1=NC=CN=C1 DY709807 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.9 COC(CN)C1=CC=CS1 DY787390 [0,1,0,0,1,0|2,0,0]=4 565 B10R1.11 NCC[C@H](O)C1=CC=CS1 DY787816 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 DY555831 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 NO16467 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.149 CC1=C(C(O)CN)SC=C1 DY107758 [0,1,0,0,1,0|2,0,0]=4 569 B12R1.32 CCNC(=S)NC1=CC=CC=C1 DY427354 [0,1,0,0,0,1|0,1,1]=4 570 B12R1.32 CN(CCO)CC1=CC=CC=C1 NO11755 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.32 CNCC(=O)NC1=CC=CC=C1 DY562887 [0,1,0,0,0,1|0,0,2]=4 572 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 DY623915 [0,1,0,0,0,1|1,0,0]=3 573 B12R1.32 NCCC(F)CC1=CC=CC=C1 DY527259 [0,1,0,0,0,1|1,0,0]=3 574 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 DY605141 [0,1,0,0,0,1|0,0,2]=4 575 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 NO21095 [0,1,0,0,0,1|1,0,1]=4 576 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 NO15800 [0,1,0,0,0,1|1,0,1]=4 577 B12R1.49 CCC(C)NC1=NC=C(Br)C=C1 DY659726 [0,1,0,0,0,1|2,0,0]=4 578 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 DY796635 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 NO21194 [0,1,0,0,0,1|0,0,2]=4 580 B12R1.50 CCC(C)OC1=NC=CC(Cl)=C1 DY654774 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.50 N[C@H](CO)CC1=CC(Cl)=CC=C1 DY624403 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.118 OCC(CO)CC1=CC=CC=C1 DY545043 [0,1,0,0,0,1|1,0,0]=3 583 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 DY798105 [0,1,0,0,0,1|0,0,0]=2 584 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 NO15993 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.9 CCC(F)(F)C1=CC=C(F)C=C1 DY511143 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 DY429144 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.9 CCS(=O)(=O)C1=CC=C(N)C=C1 DY745879 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.10 CC1=CC(C(F)(F)CO)=CC=C1 DY579651 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.10 CC[N+](C)(C)C1=CC(O)=CC=C1 NO11300 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.39 C#CCC(C)(O)C1=NC=CC=C1 DY716913 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 DY581283 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 DY547275 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 DY624223 [0,2,0,0,0,0|0,0,0]=2 594 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 DY746389 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.13 CCN(CC)C1=CC(C)=CC=C1 DY455343 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.13 CCN(CC)C1=CC(C)=CC=C1 DY798783 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.13 COC(OC)C1=CC(I)=CN=C1 DY656680 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.13 COC(OC)C1=CC(N)=NC=C1 DY577971 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.243 COC(OC)C1=C(I)C=CC=C1 DY20293 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.478 CCN(C(=S)[S-])C1=CC=CC=C1 DY822457 [0,2,0,0,0,0|1,1,0]=4 601 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 NO20312 [0,2,0,0,0,0|0,0,0]=2 602 B12R1.478 CO[C@@H](C(=O)O)c1ccccc1 DY428059 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 DY560061 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 DY542367 [0,2,0,0,0,0|0,0,2]=4 605 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 DY796587 [0,2,0,0,0,0|0,0,2]=4 606 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 DY822171 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 DY612366 [0,2,0,0,0,0|0,0,2]=4 608 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 NO11362 [0,2,0,0,0,0|0,0,2]=4 609 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 NO11363 [0,2,0,0,0,0|0,0,2]=4 610 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 NO21694 [0,2,0,0,0,0|0,0,2]=4 611 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 NO18640 [0,2,0,0,0,0|0,0,2]=4 612 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DY459216 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 NO11969 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 NO14753 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 NO19558 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 DY625183 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.16 OC(CCCl)C1=CC=C(Br)C=C1 DY745909 [0,2,0,0,0,0|0,0,0]=2 618 B12R1.17 CC1=CC=CC(C(N)CCO)=C1 DY788349 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 DY40031 [0,2,0,0,0,0|0,0,2]=4 620 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 DY790947 [0,2,0,0,0,0|0,0,2]=4 621 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 NO11354 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 DY40025 [0,2,0,0,0,0|0,0,2]=4 623 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 NO11352 [0,2,0,0,0,0|0,0,2]=4 624 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 DY526923 [0,2,0,0,0,0|0,0,0]=2 625 B12R1.17 CNC[C@H](O)c1cccc(O)c1 DY562101 [0,2,0,0,0,0|0,0,0]=2 626 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 NO19263 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.30 CC(NCCN)C1=CC=CC=C1 DY583707 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.30 CCCCC(N)C1=CC=CN=C1 DY604358 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.30 CCCOC(=O)C1=CC=CC=C1 NO11887 [0,2,0,0,0,0|0,0,2]=4 630 B12R1.30 CN(CCCN)C1=CC=CC=C1 DY558993 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.30 NC(CCCO)C1=CC=CC=C1 DY554247 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.107 CC(Br)CC(C)C1=CC=CC=C1 DY747547 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 DY626041 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 DY622905 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 DY822243 [0,2,0,0,0,0|0,0,0]=2 636 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 DY746665 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 DY572475 [0,2,0,0,0,0|0,0,2]=4 638 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 DY20191 [0,2,0,0,0,0|0,0,2]=4 639 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 NO11340 [0,2,0,0,0,0|0,0,2]=4 640 B12R1.5 CCC1=CN=C(C(O)CO)C=C1 DY712261 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.5 CCN(C)C1=CC=C(C=O)C=C1 DY605117 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 DY602014 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.5 COc1ccc([C@H](O)CN)cc1 DY555495 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.20 CC(=O)C(Br)C1=CC=C(S)C=C1 DY747217 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 NO16783 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 DY460716 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 DY822085 [0,2,0,0,0,0|1,0,1]=4 648 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 NO20354 [0,2,0,0,0,0|1,0,1]=4 649 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 DY609145 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.367 NCC(O)c1ccc(O)c(O)c1 DY557481 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 DY797643 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.367 N[C@H](CO)C1=CC(F)=C(F)C=C1 DY624373 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.1703 CCC(=O)C1=C(C)C=C(Br)C=C1 DY447011 [0,2,0,0,0,0|0,0,2]=4 654 B12R1.1703 CCC(=O)C1=C(Cl)C=C(F)C=C1 DY747055 [0,2,0,0,0,0|0,0,2]=4 655 B12R1.1703 CCC(=O)C1=C(F)C=C(Cl)C=C1 DY585059 [0,2,0,0,0,0|0,0,2]=4 656 B12R1.1703 CCC(=O)C1=C(I)C=C(S)C=C1 DY747685 [0,2,0,0,0,0|0,0,2]=4 657 B12R1.1703 CCC(=O)C1=C(S)C=C(N)C=C1 DY749281 [0,2,0,0,0,0|0,0,2]=4 658 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 DY623566 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.1703 NC[C@@H](O)c1ccc(Cl)cc1Cl DY516651 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.1703 O[C@@H](CCl)C1=C(Cl)C=C(Cl)C=C1 DY459378 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.1703 O[C@H](CCl)C1=C(F)C=C(F)C=C1 DY822258 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.24 CCC(=O)C1=C(F)C(Br)=CC=C1 DY822074 [0,2,0,0,0,0|0,0,2]=4 663 B12R1.24 CCC(=O)C1=C(F)C(Cl)=CC=C1 DY584969 [0,2,0,0,0,0|0,0,2]=4 664 B12R1.225 CC(C)[C@@H](N)C1=CC(Cl)=CC=C1 DY511899 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.225 CC(C1=CC=CC(O)=C1)N(C)C DY584566 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 NO13705 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 DY563121 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.354 CCC(=O)C1=C(F)C=CC(S)=C1 DY747679 [0,2,0,0,0,0|0,0,2]=4 669 B12R1.354 CCC(=O)C1=C(N)C=CC(S)=C1 DY749275 [0,2,0,0,0,0|0,0,2]=4 670 B12R1.354 CCC(=O)C1=C(S)C=CC(S)=C1 DY747721 [0,2,0,0,0,0|0,0,2]=4 671 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 NO22346 [0,2,0,0,0,0|0,0,2]=4 672 B12R1.435 CC[C@@H](N)C1=CC=CC(C#N)=C1 DY622185 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 NO10783 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 DY558657 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 DY621837 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 NO11465 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.564 CC(C)(C)C(O)C1=CC=CC=C1 DY822164 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.564 CC(C)(C)P(Cl)C1=CC=CC=C1 DY547119 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 NO15837 [0,2,0,0,0,0|0,0,2]=4 680 B12R1.564 N[C@@H](C1=CC=CC=C1)C(F)(F)F DY459089 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.77 CCC(=O)C1=C(CBr)C=CC=C1 DY747613 [0,2,0,0,0,0|0,0,2]=4 682 B12R1.77 CNC(C)C1=C(OC)C=CC=C1 DY580131 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.77 COC1=C(C(O)C#N)C=CC=C1 DY558897 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.3441 CCC(=O)c1c(F)cccc1F DY584611 [0,2,0,0,0,0|0,0,2]=4 685 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DY20326 [1,0,0,1,0,0|0,0,0]=2 686 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [1,0,0,1,0,0|1,0,0]=3 687 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [1,0,0,1,0,0|1,0,0]=3 688 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [1,0,0,1,0,0|1,0,0]=3 689 B10R2.7 C1=CC2=NCCN2C=C1 DY760292 [1,0,0,1,0,0|2,0,0]=4 690 B10R2.7 C1=CC=C2CC=CC2=C1 DY20914 [1,0,0,1,0,0|0,0,2]=4 691 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [1,0,0,1,0,0|1,0,0]=3 692 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [1,0,0,1,0,0|1,0,0]=3 693 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [1,0,0,1,0,0|1,0,0]=3 694 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [1,0,0,1,0,0|2,0,0]=4 695 B10R2.7 C1=CN=C2CNCC2=C1 DY565581 [1,0,0,1,0,0|2,0,0]=4 696 B10R2.7 C1=CN=C2CNCC2=C1 NO15341 [1,0,0,1,0,0|2,0,0]=4 697 B10R2.7 C1=NC=C2NCCC2=C1 DY570663 [1,0,0,1,0,0|2,0,0]=4 698 B10R2.32 OC1CCC2=C1OC=N2 DY539631 [0,0,0,1,1,0|2,0,0]=4 699 B12R2.18 NC1C2=CC=CC=C2CC1O DY455537 [0,0,0,1,0,1|1,0,0]=3 700 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O DY20312 [0,0,0,1,0,1|1,0,0]=3 701 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O NO13576 [0,0,0,1,0,1|1,0,0]=3 702 B12R2.23 OC1CNC1C2=CC=CC=C2 DY719824 [0,0,0,1,0,1|1,0,0]=3 703 B12R2.24 CC1CNC2=CC=CC=C2C1 DY33343 [0,0,0,1,0,1|2,0,0]=4 704 B12R2.24 CN1CCC2=CC=CC=C2C1 NO16157 [0,0,0,1,0,1|2,0,0]=4 705 B12R2.24 NC1CCC2=CC=CC=C2C1 NO18799 [0,0,0,1,0,1|1,0,0]=3 706 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 DY765191 [0,0,0,1,0,1|1,0,0]=3 707 B12R2.24 O=C1CCC2=CC=CC=C2N1 NO11038 [0,0,0,1,0,1|0,0,2]=4 708 B12R2.24 OC1=CC2=C(C=CC=C2)OC1 DY673380 [0,0,0,1,0,1|1,0,1]=4 709 B12R2.24 OC1CCC2=CC=CC=C2O1 DY681876 [0,0,0,1,0,1|0,0,0]=2 710 B12R2.27 OC[C@@H]1O[C@H]1c2ccccc2 DY788631 [0,0,0,1,0,1|1,0,0]=3 711 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 DY620016 [0,0,0,1,0,1|1,0,0]=3 712 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 NO12836 [0,0,0,1,0,1|1,0,1]=4 713 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 NO18815 [0,0,0,1,0,1|1,0,1]=4 714 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 DY566925 [0,0,0,1,0,1|0,0,1]=3 715 B12R2.32 CCC1=NC2=C(C=CC=C2)S1 DY752011 [0,0,0,1,0,1|0,1,1]=4 716 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 DY111185 [0,0,0,1,0,1|1,0,1]=4 717 B12R2.32 OCC1CC2=CC=CC=C2N1 DY630738 [0,0,0,1,0,1|2,0,0]=4 718 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 NO19424 [0,1,0,1,0,0|1,0,0]=3 719 B12R2.48 NCC1(C2=CC=NC=C2)CC1 DY585875 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.116 NC1(C2=CC=CC=C2)CCC1 DY531621 [0,1,0,1,0,0|1,0,0]=3 721 B12R2.2403 CC1(N)CCC2=CC=CC=C21 DY742447 [0,1,0,1,0,0|1,0,0]=3 722 B12R2.2403 FC1(F)CNC2=CC=CC=C21 DY429867 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.1 CCC1=NNC2=CC=CC=C21 DY762674 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.1 N#CC1CCC2=CC=CC=C21 NO13197 [0,1,0,1,0,0|1,0,0]=3 725 B12R2.1 O=CC1CNC2=CC=CC=C21 DY630762 [0,1,0,1,0,0|1,0,1]=4 726 B12R2.1 O=CN1CCC2=CC=CC=C21 DY630756 [0,1,0,1,0,0|1,0,1]=4 727 B12R2.2 C1=CC=C(C2CCCN2)C=C1 DY666606 [0,1,0,1,0,0|1,0,0]=3 728 B12R2.2 C1=CC=C(C2CCCN2)C=C1 NO11140 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 DY779164 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 NO17953 [0,1,0,1,0,0|1,0,0]=3 731 B12R2.2 C1=CN=C(C2CCNC2)C=C1 DY525903 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.2 C1=CN=C(C2NCCS2)C=C1 DY797667 [0,1,0,1,0,0|1,1,0]=4 733 B12R2.2 C1=CN=CC(C2CCCN2)=C1 NO21193 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.2 C1=CN=CC(C2CCNC2)=C1 DY106144 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 DY625141 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.1081 CC1CCNC2=CC=CC=C21 NO17518 [0,1,0,1,0,0|1,0,0]=3 737 B12R2.1081 CC1CNCC2=CC=CC=C21 NO17240 [0,1,0,1,0,0|1,0,0]=3 738 B12R2.1081 CC1NCCC2=CC=CC=C21 NO12178 [0,1,0,1,0,0|1,0,0]=3 739 B12R2.1081 CC1NCCC2=CC=CC=C21 NO15270 [0,1,0,1,0,0|1,0,0]=3 740 B12R2.1081 CN1CCNC2=CC=CC=C21 DY783466 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.1081 CN1CCNC2=CC=CC=C21 NO19012 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.1081 C[C@@H]1CNCC2=CC=CC=C21 DY550353 [0,1,0,1,0,0|1,0,0]=3 743 B12R2.1081 IC1CCCC2=CC=CC=C21 DY528825 [0,1,0,1,0,0|1,0,0]=3 744 B12R2.1081 NC1CCCC2=C1C=NC=C2 DY677013 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.1081 NC1CCCC2=C1N=CC=C2 DY677043 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.1081 NC1CCOC2=CC=CC=C21 NO18355 [0,1,0,1,0,0|1,0,0]=3 747 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 DY551577 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 NO13980 [0,1,0,1,0,0|1,0,0]=3 749 B12R2.1081 O=C1CCCC2=CC=CC=C12 NO14809 [0,1,0,1,0,0|0,0,2]=4 750 B12R2.1081 O=C1CCNC2=CC=CC=C12 NO15321 [0,1,0,1,0,0|0,0,2]=4 751 B12R2.1081 O=C1CCOC2=CC=CC=C12 NO22800 [0,1,0,1,0,0|0,0,2]=4 752 B12R2.1081 O=C1NCCC2=CC=CC=C12 NO17872 [0,1,0,1,0,0|0,0,2]=4 753 B12R2.1081 O=C1OCCC2=CC=CC=C12 NO12987 [0,1,0,1,0,0|0,0,2]=4 754 B12R2.1081 OB1OCCC2=C1C=CC=C2 DY535881 [0,1,0,1,0,0|1,0,0]=3 755 B12R2.1081 OC1CCNC2=CC=CC=C21 DY543693 [0,1,0,1,0,0|0,0,0]=2 756 B12R2.1081 O[C@@H]1C=COC2=CC=CC=C21 DY771027 [0,1,0,1,0,0|0,0,2]=4 757 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 DY555243 [0,1,0,1,0,0|1,0,0]=3 758 B12R2.2028 CC1NC(C)C2=CC=CC=C21 DY541491 [0,1,0,1,0,0|1,0,0]=3 759 B12R2.2028 CC1OB(O)C2=C1C=CC=C2 DY450496 [0,1,0,1,0,0|1,0,0]=3 760 B12R2.2028 C[C@H]1NC(=O)C2=CC=CC=C21 DY622323 [0,1,0,1,0,0|0,0,2]=4 761 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 NO22129 [0,1,0,1,0,0|0,0,2]=4 762 B12R2.2075 NC(C1=CC=CN=C1)C2CC2 DY652822 [0,1,0,1,0,0|2,0,0]=4 763 B12R2.2075 OC(C1=CC=CC=C1)C2CC2 DY757399 [0,1,0,1,0,0|0,0,0]=2 764 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 DY744103 [0,1,0,1,0,0|2,0,0]=4 765 B12R2.612 CN1CCC2=CC(F)=CC=C21 DY630394 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.612 CN1CCC2=CC(N)=CC=C21 DY629369 [0,1,0,1,0,0|2,0,0]=4 767 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 NO16081 [0,1,0,1,0,0|1,0,0]=3 768 B12R2.612 NC1CCC2=CC(F)=CC=C21 DY431475 [0,1,0,1,0,0|1,0,0]=3 769 B12R2.612 N[C@@H]1CCC2=CC(Cl)=CC=C21 DY572883 [0,1,0,1,0,0|1,0,0]=3 770 B12R2.612 N[C@@H]1COC2=C1C=CC(Br)=C2 DY625465 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 NO21498 [0,1,0,1,0,0|0,0,2]=4 772 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 NO22043 [0,1,0,1,0,0|0,0,2]=4 773 B12R2.612 O=C1CCC2=CC(F)=CC=C12 DY10164 [0,1,0,1,0,0|0,0,2]=4 774 B12R2.612 O=C1CCC2=CC(O)=CC=C12 NO11017 [0,1,0,1,0,0|0,0,2]=4 775 B12R2.612 OC1COC2=C1C=CC(Br)=C2 DY586466 [0,1,0,1,0,0|1,0,0]=3 776 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 DY586465 [0,1,0,1,0,0|1,0,0]=3 777 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 DY568893 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 DY603700 [0,1,0,1,0,0|1,0,0]=3 779 B12R2.2302 NC1=CC=C(N2CCC2)C=C1 DY719758 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.80 NC1CC1C2=CC(Cl)=CC=C2 DY744457 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.132 NC1=CC2=C(C=C1)COB2O DY508946 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.132 NC1CCC2=CC=C(Br)C=C21 DY579057 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.132 NC1CCC2=CC=C(F)C=C21 DY530697 [0,1,0,1,0,0|1,0,0]=3 784 B12R2.132 NC1COC2=C1C=C(Br)C=C2 DY577467 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.132 NC1COC2=C1C=C(F)C=C2 DY431482 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.132 N[C@@H]1CCC2=CC=C(O)C=C21 DY104168 [0,1,0,1,0,0|1,0,0]=3 787 B12R2.132 N[C@@H]1COC2=C1C=C(Br)C=C2 DY625417 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 NO13722 [0,1,0,1,0,0|0,0,2]=4 789 B12R2.132 O=C1CCC2=CC=C(I)C=C12 NO19840 [0,1,0,1,0,0|0,0,2]=4 790 B12R2.132 O=C1CCC2=CC=C(O)C=C12 NO15371 [0,1,0,1,0,0|0,0,2]=4 791 B12R2.132 OC1CCC2=CC=C(F)C=C21 DY447461 [0,1,0,1,0,0|0,0,0]=2 792 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 NO14012 [0,1,0,1,0,0|0,0,2]=4 793 B12R2.196 CC1=C2CC[C@H](N)C2=CC=C1 DY625369 [0,1,0,1,0,0|1,0,0]=3 794 B12R2.196 CC1=CC=CC2=C1COB2O DY582099 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.196 CC1=CC=CC2=C1OC[C@@H]2N DY622563 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.196 NC1CCC2=C(F)C=CC=C21 NO18746 [0,1,0,1,0,0|1,0,0]=3 797 B12R2.196 NC1CCC2=C1C=NC=C2Br DY523305 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 NO14533 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 NO14534 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 NO10966 [0,1,0,1,0,0|0,0,2]=4 801 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 NO18751 [0,1,0,1,0,0|0,0,2]=4 802 B12R2.196 O=C1CCC2=C(O)C=CC=C12 NO19922 [0,1,0,1,0,0|0,0,2]=4 803 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 NO12906 [0,1,0,1,0,0|1,0,0]=3 804 B12R2.1282 CC1=CC=CC(C2(N)CC2)=C1 DY557103 [0,1,0,1,0,0|1,0,0]=3 805 B12R2.1282 NC1(C2=NC(Cl)=CC=C2)CC1 DY116274 [0,1,0,1,0,0|2,0,0]=4 806 B12R2.2313 FC1=CC=CC(C2CCN2)=C1 DY586321 [0,1,0,1,0,0|1,0,0]=3 807 B12R2.92 CC1(C)NC1C2=CC=CC=C2 DY743833 [0,1,0,1,0,0|1,0,0]=3 808 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 DY576165 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.88 NC1(C2=NC=CC=C2F)CC1 DY515553 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.115 N[C@@H]1C[C@H]1C2=C(Cl)C=CC=C2 DY585345 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.203 NC1CCC2=CC=CC(F)=C21 DY741805 [0,1,0,1,0,0|1,0,0]=3 812 B12R2.203 O=C1CCC2=CC=CC(F)=C12 NO15500 [0,1,0,1,0,0|0,0,2]=4 813 B12R2.203 OB1OCC2=C1C(O)=CC=C2 DY707575 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.203 OC1CCC2=CC=CC(Br)=C21 DY510501 [0,1,0,1,0,0|0,0,0]=2 815 B12R2.203 OC1CSC2=C1C(Br)=CC=C2 DY569607 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.7 CC(C)C1=CNC=C1 DY447203 [1,0,0,0,1,0|2,0,0]=4 817 B8R1.7 CC(N)C1=CC=CN1 DY717705 [1,0,0,0,1,0|2,0,0]=4 818 B8R1.7 CC(N)C1=CC=CS1 DY585951 [1,0,0,0,1,0|2,0,0]=4 819 B8R1.7 CC(O)C1=CN=CS1 DY116219 [1,0,0,0,1,0|2,0,0]=4 820 B8R1.7 CC(O)C1=CNC=N1 DY563913 [1,0,0,0,1,0|2,0,0]=4 821 B8R1.7 CC(O)C1=CSC=C1 DY786664 [1,0,0,0,1,0|1,0,0]=3 822 B8R1.7 CC(O)[C-]1C=CC=C1 DY460596 [1,0,0,0,1,0|0,0,1]=3 823 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [1,0,0,0,1,0|1,0,0]=3 824 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [1,0,0,0,1,0|1,0,0]=3 825 B8R1.8 CCCC1=NC=CN1 NO14621 [1,0,0,0,1,0|2,0,0]=4 826 B8R1.8 CSCC1=CC=CO1 DY523785 [1,0,0,0,1,0|2,0,0]=4 827 B8R1.8 NCCC1=CC=CN1 DY717219 [1,0,0,0,1,0|2,0,0]=4 828 B8R1.8 NCCC1=CSC=C1 NO22098 [1,0,0,0,1,0|2,0,0]=4 829 B8R1.8 OCCC1=CC=CS1 NO14939 [1,0,0,0,1,0|2,0,0]=4 830 B8R1.8 OCCC1=CSC=C1 NO20858 [1,0,0,0,1,0|2,0,0]=4 831 B12R1.27 CCC(C)NCc1ccccc1 DY555507 [0,0,0,0,0,2|1,0,0]=3 832 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 NO11754 [0,0,0,0,0,2|2,0,0]=4 833 B12R1.27 NCC(F)CCC1=CC=CC=C1 DY527373 [0,0,0,0,0,2|2,0,0]=4