0 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 NCCCC1=CC=CN=C1 23791 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.17 NNCOC1=CC=CN=C1 16450 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,0,0,0,0,0|2,0,1]=4 48 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.34 COC(Br)C(=O)C1=CC=CC=C1 2120 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 17496 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 6415 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 16203 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.43 NC(CC1=CC=CC=C1)B(O)O 33620 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33651 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33652 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 28843 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 31448 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 27416 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,1,0,0,0,0|2,0,1]=4 85 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,0,0,1,0,0|0,0,2]=3 87 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.18 CC1CC2=CC=CC=C2N1N 23226 [0,0,0,1,0,0|1,0,0]=2 89 B12R2.18 CC1CC2=CC=CC=C2N1N 9485 [0,0,0,1,0,0|1,0,0]=2 90 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 8070 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 5733 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O 16026 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O 5732 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,0,0,1,0,0|2,0,0]=3 98 B12R2.24 NN1CCC2=CC=CC=C2C1 27729 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,0,0,1,0,0|2,0,1]=4 101 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,1,0,0|2,0,1]=4 102 B12R2.27 OC[C@@H]1O[C@H]1C2=CC=CC=C2 11278 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 11277 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,0,0,1,0,0|1,0,2]=4 105 B12R2.32 N#CC1CC2=CC=CC=C2C1 23088 [0,0,0,1,0,0|2,0,0]=3 106 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [0,0,0,0,1,0|3,0,0]=4 107 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,0,0,0,1,0|2,0,0]=3 109 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,0,0,0,1,0|2,0,0]=3 110 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,0,0,0,1,0|1,0,0]=2 111 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,0,0,0,1,0|2,0,0]=3 112 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,0,0,0,1,0|2,0,0]=3 113 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,0,0,0,1,0|1,0,1]=3 114 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,0,0,0,1,0|0,0,0]=1 115 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,0,0,0,1,0|2,0,0]=3 116 B10R1.15 N#CC(N)c1ccccc1 28208 [0,0,0,0,1,0|3,0,0]=4 117 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,0,0,0,1,0|3,0,0]=4 118 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,0,0,0,1,0|3,0,0]=4 119 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,0,0,0,1,0|3,0,0]=4 120 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,0,0,1,0|2,0,1]=4 121 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,0,0,0,1,0|3,0,0]=4 122 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,0,0,0,1,0|3,0,0]=4 123 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,0,0,0,1,0|3,0,0]=4 124 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,0,0,0,1,0|3,0,0]=4 125 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,0,0,0,1,0|3,0,0]=4 126 B10R1.27 CNC(C)CC1=CC=CS1 24793 [0,0,0,0,1,0|1,0,0]=2 127 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,0,0,0,0,1|2,0,1]=4 128 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,0,0,0,0,1|2,0,1]=4 129 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,0,0,0,0,1|2,0,1]=4 130 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,0,0,0,0,1|2,0,1]=4 131 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,0,0,0,0,1|2,0,1]=4 132 B9R1.8 BrCCC1=CC=CN=C1 21399 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 BrCCC1=NC=CC=C1 23421 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.8 C=CCC1=CC=CC=C1 29358 [2,0,0,0,0,0|0,0,2]=4 136 B9R1.8 CCCC1=CC=CC=C1 10852 [2,0,0,0,0,0|0,0,0]=2 137 B9R1.8 CCCC1=CC=NC=C1 15021 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.8 CCOC1=CC=NC=C1 1125 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 CCOC1=NC=CC=C1 1126 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.8 CCSC1=CC=CC=C1 10773 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.8 CNCC1=CC=CC=C1 19910 [2,0,0,0,0,0|0,0,0]=2 142 B9R1.8 CNCC1=CC=CC=C1 25218 [2,0,0,0,0,0|0,0,0]=2 143 B9R1.8 CNCC1=CC=CC=C1 5801 [2,0,0,0,0,0|0,0,0]=2 144 B9R1.8 COCC1=CC=CC=C1 15300 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.8 ClCCC1=CC=CC=C1 26674 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.8 ClCCC1=CC=CN=C1 23929 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.8 ClCSC1=CC=CC=C1 10735 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.8 NCCC1=CC=CN=C1 13196 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.8 NCCC1=CC=CN=C1 14084 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.8 NCCC1=CC=NC=C1 13447 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.8 NCCC1=NC=CC=C1 2592 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.8 NCCc1ccccc1 21077 [2,0,0,0,0,0|0,0,0]=2 153 B9R1.8 NNCC1=CC=CC=C1 29056 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.8 NOCC1=CC=CC=C1 24804 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.8 NOCC1=CC=CC=C1 7095 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.8 OCCC1=NC=CC=C1 2593 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 ONCC1=CC=CC=C1 25520 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.8 SCCC1=CC=CN=C1 25052 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.8 SCCC1=NC=CC=C1 25015 [2,0,0,0,0,0|2,0,0]=4 160 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [1,1,0,0,0,0|0,0,0]=2 166 B11R1.1 COCCc1ccc(O)cc1 27303 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [1,1,0,0,0,0|0,0,1]=3 180 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.28 CCCCCC1=CC=CC=C1 16788 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.28 CCCCOC1=CC=CC=C1 12529 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.28 N#CCCNC1=CC=CC=C1 2335 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.28 N#CCNCC1=CC=CC=C1 27728 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [1,1,0,0,0,0|0,0,2]=4 197 B11R1.28 OCCCCC1=CC=CC=C1 3100 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.28 OCCCCC1=CC=NC=C1 19155 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.28 OCCNCC1=CC=CC=C1 12960 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.28 OCCOCC1=CC=CC=C1 1939 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.28 OCCSCC1=CC=CC=C1 10801 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.91 OB(O)CCc1ccccc1 14049 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 34828 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 22060 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [1,1,0,0,0,0|0,0,0]=2 221 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 3828 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.86 CC(C)OC1=C(O)C=CC=C1 13205 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.86 CC(C)OC1=NC=CC=C1Br 6576 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.86 CC(C)OC1=NC=CC=C1I 16561 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.86 CC(C)SC1=C(N)C=CC=C1 31985 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [1,1,0,0,0,0|0,0,0]=2 239 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 14867 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.157 CC(C)OC1=CN=CC(Br)=C1 25863 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 10753 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 21780 [0,1,0,0,1,0|1,0,1]=4 247 B11R1.12 CCN(CC)c1ccccc1 18261 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,1,0,0,1,0|1,0,0]=3 250 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 14198 [0,1,0,0,1,0|1,0,1]=4 255 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,1,0,0,1,0|1,0,0]=3 256 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,1,0,0,1,0|2,0,0]=4 257 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 31784 [0,1,0,0,0,1|2,0,0]=4 258 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O 36485 [0,1,0,0,0,1|2,0,0]=4 259 B13R1.417 OCC(CO)OCC1=CC=CC=C1 22296 [0,1,0,0,0,1|2,0,0]=4 260 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 25323 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O 22317 [0,2,0,0,0,0|2,0,0]=4 262 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O 29931 [0,2,0,0,0,0|2,0,0]=4 263 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O 29930 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.145 CCN(CC)CC1=CC=C(N)C=C1 34205 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 3014 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.91 CNC(C)CC1=C(OC)C=CC=C1 23372 [0,2,0,0,0,0|0,0,0]=2 267 B13R1.91 CNC(C)CC1=C(OC)C=CC=C1 23390 [0,2,0,0,0,0|0,0,0]=2 268 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,1,0,0|1,0,1]=4 269 B11R2.1 CC1CNC2=CC=CC=C21 15858 [1,0,0,1,0,0|2,0,0]=4 270 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [1,0,0,1,0,0|0,0,2]=4 271 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [1,0,0,1,0,0|1,0,1]=4 272 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.1 NC1CCC2=CC=CC=C21 10981 [1,0,0,1,0,0|2,0,0]=4 274 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [1,0,0,1,0,0|2,0,0]=4 275 B11R2.1 N[C@H]1CCc2ccccc21 12577 [1,0,0,1,0,0|2,0,0]=4 276 B11R2.1 N[C@H]1CCc2ccccc21 23853 [1,0,0,1,0,0|2,0,0]=4 277 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [1,0,0,1,0,0|2,0,0]=4 278 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [1,0,0,1,0,0|1,0,0]=3 279 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [1,0,0,1,0,0|2,0,0]=4 280 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [1,0,0,1,0,0|2,0,0]=4 281 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [1,0,0,1,0,0|2,0,0]=4 282 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [1,0,0,1,0,0|1,0,0]=3 283 B11R2.20 C1=CC2=C(CCCC2)N=C1 5891 [1,0,0,1,0,0|2,0,0]=4 284 B11R2.20 C1=CC2=C(CCNC2)N=C1 15462 [1,0,0,1,0,0|1,0,0]=3 285 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [1,0,0,1,0,0|0,0,0]=2 286 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [1,0,0,1,0,0|2,0,0]=4 287 B11R2.20 C1=NC=NC2=C1CCNC2 34166 [1,0,0,1,0,0|2,0,0]=4 288 B11R2.20 C1=NC=NC2=C1CNCC2 15503 [1,0,0,1,0,0|2,0,0]=4 289 B11R2.20 C1=NC=NC2=C1CNCC2 33335 [1,0,0,1,0,0|2,0,0]=4 290 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [1,0,0,1,0,0|0,0,0]=2 291 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [1,0,0,1,0,0|2,0,0]=4 292 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,0,0,1,0,0|0,0,2]=4 293 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [1,0,0,1,0,0|0,0,2]=4 294 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [1,0,0,1,0,0|1,0,1]=4 295 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [1,0,0,1,0,0|0,0,0]=2 296 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [1,0,0,1,0,0|0,0,0]=2 297 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [1,0,0,1,0,0|1,0,0]=3 298 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [1,0,0,1,0,0|1,0,1]=4 299 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [1,0,0,1,0,0|1,0,1]=4 300 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [1,0,0,1,0,0|1,0,0]=3 301 B11R2.40 NC1(C2=CC=CC=C2)CC1 13912 [0,0,0,1,1,0|2,0,0]=4 302 B11R2.40 NC1(C2=CC=CC=C2)CC1 22892 [0,0,0,1,1,0|2,0,0]=4 303 B13R2.57 OC[C@@H]1CC2=CC=CC=C2CN1 5794 [0,0,0,1,0,1|2,0,0]=4 304 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 22369 [0,1,0,1,0,0|1,0,0]=3 305 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 20106 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 21322 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.135 CCN1C(C)=CC2=CC=CC=C21 25686 [0,1,0,1,0,0|0,0,2]=4 308 B13R2.135 CCN1C(C)=NC2=C1C=CC=C2 7660 [0,1,0,1,0,0|1,0,1]=4 309 B13R2.45 CCC1CC2=CC=CC=C2C1=O 5351 [0,1,0,1,0,0|1,0,1]=4 310 B13R2.45 CN1C(CCl)=NC2=C1C=CC=C2 16816 [0,1,0,1,0,0|1,0,1]=4 311 B13R2.359 CC1NC2=CC=CC=C2C1(C)C 32355 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 16222 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 22341 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.3028 CC1CC2=CC=C(Cl)C=C2C1=O 35003 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.3028 CC1CC2=CC=C(F)C=C2C1=O 9661 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.3683 C[C@@H]1CCC2=CC(F)=CC=C2N1 17279 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.3683 C[C@H]1CCc2cc(F)ccc2N1 17280 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 16651 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 16652 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.3683 NC1CCC2=CC(Cl)=CC=C2C1 16619 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.3683 NC1CCC2=CC(Cl)=CC=C2C1 16621 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.3683 N[C@H]1CCC2=CC(Br)=CC=C2C1 23248 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.155 NC1CCC2=CC=C(Br)C=C2C1 16701 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.155 N[C@@H]1CCC2=CC=C(O)C=C2C1 17353 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 17355 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.5190 CC1=CC=C2C(=O)C(C)CC2=C1 32342 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.5190 CC1Cc2cc(F)ccc2C1=O 9656 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.162 NC1=C2CC(O)CCC2=CC=C1 19267 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O 32280 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O 32281 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.4825 CC1CC2=C(Cl)C=CC=C2C1=O 32284 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,1,0|1,0,0]=3 333 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,1,0|0,0,0]=2 334 B9R1.6 CN(C)C1=CC=NC=C1 2377 [1,0,0,0,1,0|2,0,0]=4 335 B9R1.6 CN(C)C1=NC=CC=C1 14996 [1,0,0,0,1,0|2,0,0]=4 336 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,1,0|1,0,0]=3 337 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,1,0|0,0,0]=2 338 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,1,0|0,0,0]=2 339 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,1,0|0,0,0]=2 340 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,0,0,0,1,0|2,0,0]=4 341 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,0,0,0,1,0|2,0,0]=4 342 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,1,0|1,0,0]=3 343 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,1,0|0,0,0]=2 344 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,1,0|0,0,0]=2 345 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,0,0,0,1,0|2,0,0]=4 346 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,1,0|1,0,0]=3 347 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,0,0,0,1,0|2,0,0]=4 348 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,0,0,1,0|1,0,1]=4 349 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,0,0,1,0|1,0,1]=4 350 B9R1.13 CC(C)CC1=NC=CS1 9942 [1,0,0,0,1,0|2,0,0]=4 351 B9R1.13 CC(N)CC1=CC=CS1 24782 [1,0,0,0,1,0|1,0,0]=3 352 B9R1.11 CNC(C)C1=CC=CN1 16635 [0,0,0,0,2,0|1,0,0]=3