0 B10R1.4 CCOC1=C(Br)C=CC=N1 28270 [1,0,0,0,0,0|2,1,0]=4 1 B10R1.4 CCOC1=C(Br)C=CN=C1 29223 [1,0,0,0,0,0|2,1,0]=4 2 B10R1.4 CCOC1=CC=NC=C1N 28271 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,0,0,0,0,0|1,1,0]=3 6 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 24130 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,0,0,0,0,0|0,0,0]=1 11 B10R1.17 CNCCC1=CC=CN=C1 23587 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 CNCCC1=CC=NC=C1 17201 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 CNCCC1=NC=CC=C1 23232 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 27370 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.308 N#CCC(=O)C1=C(Cl)C=CC=C1 25722 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.371 CC(CN)OC1=C(Cl)C=CC=C1 23694 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.24 NC1CCC2=C(C=CC=C2)C1 18439 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 16551 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.41 C1=CC=C2NCCNCC2=C1 19927 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 24040 [0,0,0,1,0,0|1,1,1]=4 23 B12R2.196 CN1N=CC2=C(F)C=CC=C21 26356 [0,0,0,1,0,0|1,1,1]=4 24 B12R2.196 CN1N=CC2=C(N)C=CC=C21 24738 [0,0,0,1,0,0|2,0,1]=4 25 B12R2.196 O=C1CCC2=C1C=CC=C2Br 31298 [0,0,0,1,0,0|2,1,0]=4 26 B12R2.1081 ClC1=C2CNCCC2=CC=C1 20617 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.29 CCCCN1C=CN=C1Cl 26341 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.8 CCCC1=CC=CC=C1 27219 [2,0,0,0,0,0|0,0,0]=2 29 B9R1.8 CCCC1=CC=CC=C1 29530 [2,0,0,0,0,0|0,0,0]=2 30 B9R1.8 CCOC1=CC=CC=C1 30856 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.8 CCOC1=NC=CC=C1 27481 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.8 CNCC1=CC=CC=C1 23236 [2,0,0,0,0,0|0,0,0]=2 33 B9R1.8 CNCC1=CC=CN=C1 23300 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 CNCC1=CC=NC=C1 23632 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 CNCC1=NC=CC=C1 23554 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 CNCC1=NC=CN=C1 17803 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 COCC1=CC=CN=C1 29457 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 COCC1=CC=NC=C1 29392 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.8 COCC1=NC=CC=C1 27516 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.8 NCCC1=CC=CC=C1 21747 [2,0,0,0,0,0|0,0,0]=2 41 B9R1.8 NCCC1=NC=CN=C1 17453 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.8 NCCC1=NC=CN=C1 23818 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 NOCC1=CC=CC=C1 02279 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.8 OCCC1=CC=CC=C1 01623 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 ONCC1=CC=CC=C1 31261 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [2,0,0,0,0,0|1,1,0]=4 47 B9R1.15 CC1=C(CN)C=CN=C1 18175 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.15 CCC1=C(O)C=CC=C1 26809 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.15 COC1=C(Br)C=CC=C1 30420 [2,0,0,0,0,0|1,1,0]=4 51 B9R1.15 COC1=C(Cl)N=CC=C1 28752 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 COC1=C(F)C=CC=C1 30023 [2,0,0,0,0,0|1,1,0]=4 53 B9R1.15 COC1=C(I)C=CC=C1 26768 [2,0,0,0,0,0|1,1,0]=4 54 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [2,0,0,0,0,0|1,1,0]=4 56 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.15 NNC1=C(Cl)C=CC=N1 26149 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.15 OCC1=C(F)C=CC=C1 31154 [2,0,0,0,0,0|1,1,0]=4 61 B9R1.15 OCC1=CC=CN=C1Cl 17223 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.13 CCNC1=C(Cl)C(Cl)=CC=C1 18230 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.41 CCOC1=C(C=O)C=CC=C1 26869 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.41 COC1=C(CCN)C=CC=C1 32490 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.81 CCNC1=C(Cl)C=C(Cl)C=C1 18231 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.81 ONCC1=C(Cl)C=C(Cl)C=C1 29482 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.86 CN(C)CC1=C(N)C=CC=C1 20019 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.86 CN(C)CC1=NC=CC=C1O 27041 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 20803 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.182 CCNC1=C(Cl)C=CC(Cl)=C1 18232 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.605 CCNC1=C(Cl)C=CC=C1Cl 18234 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.1 CCCCC1=CN=C(C)C=C1 21390 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31416 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31418 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.1 CNCCC1=CC=C(Cl)C=C1 18383 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.1 CNCCC1=CC=C(O)C=C1 21452 [1,1,0,0,0,0|0,0,0]=2 79 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.24 CCCCC1=NC(N)=CC=C1 24057 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.24 CNCCC1=CC(C)=CC=C1 19438 [1,1,0,0,0,0|0,0,0]=2 85 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.28 CNCCCC1=CC=CC=C1 23460 [1,1,0,0,0,0|0,0,0]=2 87 B11R1.28 OCCOCC1=CC=CC=C1 21183 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.75 CCCOC1=CC=C(C=O)C=C1Cl 26644 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl 25779 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.1511 CCCC(=O)C1=CC=C(Cl)C=C1Cl 29140 [0,2,0,0,0,0|1,0,1]=4 98 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 15550 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 15549 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O 14391 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O 04092 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(=O)O 04093 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.696 COC(=O)C(Br)C1=C(Cl)C=CC=C1 29104 [0,2,0,0,0,0|1,0,1]=4 104 B11R2.10 NC1CC2=C(C=CC=C2)C1 17047 [1,0,0,1,0,0|1,0,0]=3 105 B11R2.10 NC1CC2=C(C=CC=C2)C1 29942 [1,0,0,1,0,0|1,0,0]=3 106 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [1,0,0,1,0,0|2,0,0]=4 107 B11R2.106 BrC1=C2CCNC2=CC=C1 20239 [1,0,0,1,0,0|0,1,0]=3 108 B11R2.106 CC1=C2NCCC2=CC=C1 20604 [1,0,0,1,0,0|2,0,0]=4 109 B11R2.106 ClC1=C2CCNC2=CC=C1 17702 [1,0,0,1,0,0|0,0,0]=2 110 B11R2.106 ClC1=CC=CC2=C1C=CN2 21962 [1,0,0,1,0,0|0,0,2]=4 111 B11R2.106 FC1=C2CCNC2=CC=C1 20288 [1,0,0,1,0,0|0,1,0]=3 112 B11R2.106 IC1=C2CCNC2=CC=C1 20297 [1,0,0,1,0,0|0,1,0]=3 113 B11R2.1 CN1C=CC2=C1C=CC=C2 22008 [1,0,0,1,0,0|0,0,2]=4 114 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [1,0,0,1,0,0|2,0,0]=4 116 B13R2.57 BrCC1CCC2=CC=CC=C2O1 26302 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.57 NCC1CCC2=CC=CC=C2C1 19302 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.18 CC1=CC=CC=C1C2CCCN2 23505 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.18 ClC1=CC=CC=C1C2CCCN2 17029 [0,1,0,1,0,0|1,0,0]=3 120 B13R2.18 ClC1=CC=CC=C1C2CCNC2 18002 [0,1,0,1,0,0|0,0,0]=2 121 B13R2.18 FC1=CC=CC=C1C2CCNC2 18003 [0,1,0,1,0,0|0,1,0]=3 122 B13R2.26 CNCC1=NC2=C(C=CC=C2)N1 17816 [0,1,0,1,0,0|1,0,1]=4 123 B13R2.26 CNCC1=NC2=CC=CC=C2S1 18171 [0,1,0,1,0,0|1,0,1]=4 124 B13R2.342 O=C1CCCC2=C(Cl)C=CC=C12 30821 [0,1,0,1,0,0|1,0,1]=4 125 B13R2.342 O=C1NCCC2=C1C=CC=C2Cl 20395 [0,1,0,1,0,0|0,0,1]=3 126 B9R1.12 CNCCC1=CC=CS1 20794 [1,0,0,0,1,0|1,0,0]=3