0 B11R1.24 CCCCC1=NC(N)=CC=C1 24057 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.24 CNCCC1=CC(C)=CC=C1 19438 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.10 CCOC1=CC=NC(N)=C1 18996 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.10 CCOC1=NC(Br)=CC=C1 28276 [1,0,0,0,0,0|2,1,0]=4 7 B10R1.10 CCOC1=NC(N)=CC=C1 17759 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.10 CCOC1=NC=CC(N)=C1 17650 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,0,0,0,0,0|0,1,2]=4 10 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,0,0,0,0,0|0,1,2]=4 11 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.17 CNCCC1=CC=CN=C1 23587 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.17 CNCCC1=CC=NC=C1 17201 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.17 CNCCC1=NC=CC=C1 23232 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 32506 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32504 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32505 [0,1,0,0,0,0|1,0,0]=2 23 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 18151 [0,0,0,1,0,0|2,1,0]=4 24 B12R2.24 CC1=CC=C2CCNCC2=C1 20603 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.24 CC1=CC=C2CNCCC2=C1 20552 [0,0,0,1,0,0|1,0,0]=2 26 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 19248 [0,0,0,1,0,0|2,1,0]=4 27 B12R2.24 ClC1=CC=C2CNCCC2=C1 19194 [0,0,0,1,0,0|0,1,0]=2 28 B12R2.24 ClC1=CC=C2CNCCC2=C1 19195 [0,0,0,1,0,0|0,1,0]=2 29 B12R2.24 FC1=CC=C2CCNCC2=C1 19254 [0,0,0,1,0,0|2,0,0]=3 30 B12R2.24 FC1=CC=C2CNCCC2=C1 19208 [0,0,0,1,0,0|0,0,0]=1 31 B12R2.24 FC1=CC=C2CNCCC2=C1 19209 [0,0,0,1,0,0|0,0,0]=1 32 B12R2.24 NC1=CC2=C(C=C1)CCNC2 17886 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.24 NC1=CC2=C(C=C1)CNCC2 19166 [0,0,0,1,0,0|1,0,0]=2 34 B12R2.24 OC1=CC2=C(C=C1)CNCC2 17885 [0,0,0,1,0,0|1,0,0]=2 35 B12R2.203 CN1N=CC2=CC=CC(N)=C21 24028 [0,0,0,1,0,0|2,0,1]=4 36 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 30815 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 23282 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 26317 [0,0,0,1,0,0|1,1,1]=4 39 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 18520 [0,0,0,1,0,0|2,0,1]=4 40 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 24606 [0,0,0,1,0,0|2,1,0]=4 41 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 27603 [0,0,0,1,0,0|2,1,0]=4 42 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 21251 [0,0,0,1,0,0|2,0,0]=3 43 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 26295 [0,0,0,1,0,0|2,1,0]=4 44 B12R2.1081 ClC1=C2CNCCC2=CC=C1 20617 [0,0,0,1,0,0|0,1,0]=2 45 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [2,0,0,0,0,0|1,1,0]=4 46 B9R1.2 CC1=CC(CN)=NC=C1 26193 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.2 CC1=NC(CN)=CC=C1 17766 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.2 CCC1=CC(Br)=NC=C1 28599 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.2 CCC1=CC(N)=NC=C1 27934 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [2,0,0,0,0,0|0,1,0]=3 51 B9R1.2 CCC1=CC=CC(O)=C1 26816 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.2 CCC1=CC=CC(O)=C1 29553 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.2 CCC1=NC(C)=CC=C1 27484 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.2 COC1=CC=CC(Br)=C1 21480 [2,0,0,0,0,0|1,1,0]=4 55 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [2,0,0,0,0,0|1,1,0]=4 56 B9R1.2 COC1=CC=CC(F)=C1 30017 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.2 COC1=CC=CC(O)=C1 00432 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [2,0,0,0,0,0|1,1,0]=4 59 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.2 NCC1=CC(I)=CC=C1 28182 [2,0,0,0,0,0|0,1,0]=3 61 B9R1.2 NCC1=CC=CC(I)=C1 27339 [2,0,0,0,0,0|0,1,0]=3 62 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.2 OCC1=CC(F)=CC=C1 31155 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.8 CCCC1=CC=CC=C1 27219 [2,0,0,0,0,0|0,0,0]=2 65 B9R1.8 CCCC1=CC=CC=C1 29530 [2,0,0,0,0,0|0,0,0]=2 66 B9R1.8 CCOC1=CC=CC=C1 30856 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.8 CCOC1=NC=CC=C1 27481 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.8 CNCC1=CC=CC=C1 23236 [2,0,0,0,0,0|0,0,0]=2 69 B9R1.8 CNCC1=CC=CN=C1 23300 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.8 CNCC1=CC=NC=C1 23632 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.8 CNCC1=NC=CC=C1 23554 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.8 CNCC1=NC=CN=C1 17803 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.8 COCC1=CC=CN=C1 29457 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 COCC1=CC=NC=C1 29392 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.8 COCC1=NC=CC=C1 27516 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.8 NCCC1=CC=CC=C1 21747 [2,0,0,0,0,0|0,0,0]=2 77 B9R1.8 NCCC1=NC=CN=C1 17453 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.8 NCCC1=NC=CN=C1 23818 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.8 NOCC1=CC=CC=C1 02279 [2,0,0,0,0,0|1,0,0]=3 80 B9R1.8 OCCC1=CC=CC=C1 01623 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.8 ONCC1=CC=CC=C1 31261 [2,0,0,0,0,0|1,0,0]=3 82 B11R1.13 CCNC1=C(Cl)C(Cl)=CC=C1 18230 [1,1,0,0,0,0|1,1,0]=4 83 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 27232 [1,1,0,0,0,0|0,1,1]=4 84 B11R1.23 NCC(O)C1=CC=CC(O)=C1 32497 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 24427 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.34 CCNC1=CC(Cl)=CC(Cl)=C1 18260 [1,1,0,0,0,0|1,1,0]=4 87 B11R1.157 CC(C)NC1=CC(F)=CC=C1 17554 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.157 CN(C)CC1=CC(N)=CC=C1 20128 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.182 CCNC1=C(Cl)C=CC(Cl)=C1 18232 [1,1,0,0,0,0|1,1,0]=4 91 B11R1.189 CCOC1=CC=CC(C=O)=C1 27412 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.189 COC1=CC=CC(CCN)=C1 32493 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 18259 [1,1,0,0,0,0|1,1,0]=4 94 B11R1.192 NCCC1=CC=C(O)C(O)=C1 11757 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.1 CCCCC1=CN=C(C)C=C1 21390 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31416 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31418 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.1 CNCCC1=CC=C(Cl)C=C1 18383 [1,1,0,0,0,0|0,0,0]=2 99 B11R1.1 CNCCC1=CC=C(O)C=C1 21452 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.28 CNCCCC1=CC=CC=C1 23460 [1,1,0,0,0,0|0,0,0]=2 106 B11R1.28 OCCOCC1=CC=CC=C1 21183 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [1,1,0,0,0,0|2,0,0]=4 114 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 32469 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.147 N[C@@H](CC(=O)O)C1=CC(F)=CC=C1 15544 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 17412 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 18409 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 02013 [0,2,0,0,0,0|1,0,0]=3 119 B13R1.466 CNCC(O)C1=CC=C(O)C(O)=C1 32443 [0,2,0,0,0,0|1,0,0]=3 120 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 32437 [0,2,0,0,0,0|1,0,0]=3 121 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 32438 [0,2,0,0,0,0|1,0,0]=3 122 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O 06138 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O 02571 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O 04140 [0,2,0,0,0,0|2,0,0]=4 125 B11R2.36 BrC1=CC2=C(C=C1)NCC2 17214 [1,0,0,1,0,0|0,1,0]=3 126 B11R2.36 BrC1=CC=C2CCNC2=C1 20490 [1,0,0,1,0,0|1,1,0]=4 127 B11R2.36 CC1=CC2=C(C=C1)NCC2 19131 [1,0,0,1,0,0|1,0,0]=3 128 B11R2.36 ClC1=CC=C2CCNC2=C1 20514 [1,0,0,1,0,0|1,1,0]=4 129 B11R2.36 ClC1=CC=C2NCCC2=C1 17280 [1,0,0,1,0,0|0,1,0]=3 130 B11R2.36 FC1=CC2=C(C=C1)CCN2 19213 [1,0,0,1,0,0|1,0,0]=3 131 B11R2.36 FC1=CC2=C(C=C1)NC=C2 01691 [1,0,0,1,0,0|0,0,2]=4 132 B11R2.36 FC1=CC2=C(C=C1)NN=C2 17282 [1,0,0,1,0,0|1,0,1]=4 133 B11R2.36 FC1=CC=C2NCCC2=C1 17283 [1,0,0,1,0,0|0,0,0]=2 134 B11R2.36 IC1=CC=C2CCNC2=C1 20539 [1,0,0,1,0,0|1,1,0]=4 135 B11R2.36 NC1=CC2=C(C=C1)CCN2 21317 [1,0,0,1,0,0|2,0,0]=4 136 B11R2.36 NC1=CC2=C(C=C1)NCC2 21080 [1,0,0,1,0,0|1,0,0]=3 137 B11R2.106 BrC1=C2CCNC2=CC=C1 20239 [1,0,0,1,0,0|1,1,0]=4 138 B11R2.106 CC1=C2NCCC2=CC=C1 20604 [1,0,0,1,0,0|1,0,0]=3 139 B11R2.106 ClC1=C2CCNC2=CC=C1 17702 [1,0,0,1,0,0|1,1,0]=4 140 B11R2.106 FC1=C2CCNC2=CC=C1 20288 [1,0,0,1,0,0|1,0,0]=3 141 B11R2.106 FC1=C2NN=CC2=CC=C1 24735 [1,0,0,1,0,0|1,0,1]=4 142 B11R2.106 FC1=CC=CC2=C1NC=C2 21547 [1,0,0,1,0,0|0,0,2]=4 143 B11R2.106 IC1=C2CCNC2=CC=C1 20297 [1,0,0,1,0,0|1,1,0]=4 144 B11R2.1 CN1C=CC2=C1C=CC=C2 22008 [1,0,0,1,0,0|0,0,2]=4 145 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [1,0,0,1,0,0|2,0,0]=4 146 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.13 ClC1=CC(C2CCCN2)=CC=C1 17142 [0,1,0,1,0,0|1,1,0]=4 148 B13R2.162 O=C1CCCC2=C1C=C(F)C=C2 25010 [0,1,0,1,0,0|1,0,1]=4 149 B13R2.342 O=C1CCCC2=C(F)C=CC=C12 30822 [0,1,0,1,0,0|1,0,1]=4 150 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 20497 [0,1,0,1,0,0|0,1,1]=4 151 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 20517 [0,1,0,1,0,0|0,1,1]=4 152 B13R2.5179 O=C1NCCC2=CC(O)=CC=C12 20537 [0,1,0,1,0,0|1,0,1]=4 153 B13R2.5331 BrC1=CC(OCC2CC2)=CC=C1 26395 [0,1,0,1,0,0|1,1,0]=4 154 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 19250 [0,1,0,1,0,0|1,1,0]=4 155 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)C1 19256 [0,1,0,1,0,0|1,0,1]=4 156 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 19174 [0,1,0,1,0,0|1,1,0]=4 157 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 20525 [0,1,0,1,0,0|1,0,0]=3 158 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 17761 [0,1,0,1,0,0|1,0,0]=3 159 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 17157 [0,1,0,1,0,0|1,1,0]=4 160 B13R2.57 COC1=CC2=C(C=C1)CNCC2 17763 [0,1,0,1,0,0|1,0,0]=3 161 B13R2.57 O=CC1=CC=C2CCCCC2=C1 27459 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.12 CNCCC1=CC=CS1 20794 [1,0,0,0,1,0|1,0,0]=3