0 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 MC440083 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 CS19018 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 MC106658 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [0,0,0,0,0,0|2,0,2]=4 15 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 CS19965 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [0,0,0,0,0,0|3,0,1]=4 17 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [0,0,0,0,0,0|2,0,2]=4 18 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [0,0,0,0,0,0|2,0,2]=4 21 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,0,0,0,0,0|2,0,1]=3 22 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,0,0,0,0,0|2,0,1]=3 23 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,0,0,0,0,0|2,0,1]=3 24 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [0,0,0,0,0,0|2,0,2]=4 27 B12R2.24 O=C1C=NC2=C(N=CC=C2)N1 CS17925 [0,0,0,0,0,0|3,0,1]=4 28 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,0,0,0|1,0,0]=1 29 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,0,0,0|1,0,0]=1 30 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [0,0,0,0,0,0|2,0,0]=2 31 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [0,0,0,0,0,0|2,0,0]=2 32 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,0,0,0|0,0,0]=0 33 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,0,0,0,0|2,0,0]=2 34 B12R2.24 O=C1COC2=C(C=CN=C2)N1 MC425525 [0,0,0,0,0,0|3,0,0]=3 35 B12R2.24 O=C1COC2=C(C=NC=C2)N1 MC425642 [0,0,0,0,0,0|3,0,0]=3 36 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,0,0,0|2,0,0]=2 37 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [0,0,0,0,0,0|1,0,3]=4 38 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [0,0,0,0,0,0|2,0,2]=4 39 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [0,0,0,0,0,0|2,0,2]=4 40 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS14841 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC104317 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC431486 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS19770 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [1,0,0,0,0,0|1,0,1]=3 46 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [1,0,0,0,0,0|2,0,0]=3 47 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [1,0,0,0,0,0|2,0,0]=3 48 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS11929 [1,0,0,0,0,0|1,0,2]=4 49 B11R2.20 C1=CC=C2N=CC=NC2=C1 CS11932 [1,0,0,0,0,0|2,0,1]=4 50 B11R2.20 C1=CC=C2N=CN=CC2=C1 CS11926 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS11145 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.20 C1=CC=C2NCCNC2=C1 CS19000 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.20 C1=CN=C2NCCCC2=C1 CS20465 [1,0,0,0,0,0|2,0,1]=4 54 B11R2.20 C1=NC=C2CCCNC2=C1 MC105356 [1,0,0,0,0,0|2,0,1]=4 55 B11R2.20 C1=NC=C2CCNCC2=C1 CS15863 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.20 C1=NC=C2CCNCC2=C1 MC115896 [1,0,0,0,0,0|3,0,0]=4 57 B11R2.20 C1=NC=C2CNCCC2=C1 CS17812 [1,0,0,0,0,0|3,0,0]=4 58 B11R2.20 C1=NC=C2CNCCC2=C1 MC113298 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.57 BrCC1COC2=C(C=CC=C2)O1 MC31021 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.57 NCC1CCC2=CC=CC=C2O1 MC111186 [0,1,0,0,0,0|1,0,1]=3 61 B13R2.57 NCC1COC2=C(C=CC=C2)O1 MC429909 [0,1,0,0,0,0|2,0,1]=4 62 B13R2.57 NCC1COC2=C(C=CC=C2)O1 MC429910 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [0,1,0,0,0,0|2,0,1]=4 64 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [0,1,0,0,0,0|2,0,1]=4 65 B13R2.155 CN1CCc2ccc(N)cc2C1 MC103446 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CS10778 [0,1,0,0,0,0|1,0,0]=2 67 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 MC444617 [0,1,0,0,0,0|2,0,1]=4 68 B13R2.155 Nc1ccc2c(c1)NC(=O)CO2 MC41745 [0,1,0,0,0,0|2,0,0]=3 69 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 CS14788 [0,1,0,0,0,0|1,0,2]=4 70 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 CS16303 [0,1,0,0,0,0|0,0,2]=3 71 B13R2.155 O=C1C=NC2=CC=C(F)C=C2N1 MC431055 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 MC111869 [0,1,0,0,0,0|1,0,0]=2 73 B13R2.155 O=C1CCC2=CC=C(Br)C=C2N1 MC106566 [0,1,0,0,0,0|1,0,0]=2 74 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 CS10802 [0,1,0,0,0,0|1,0,0]=2 75 B13R2.155 O=C1CCC2=CC=C(O)C=C2C1 CS18274 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 CS21727 [0,1,0,0,0,0|1,0,0]=2 77 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 CS10626 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 MC442305 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.155 O=C1COC2=C(C=C(Cl)N=C2)N1 MC114094 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 MC441074 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.155 O=C1COC2=C(N=C(Br)C=C2)N1 CS12862 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 CS16680 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 CS12344 [0,1,0,0,0,0|0,0,2]=3 84 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 MC441083 [0,1,0,0,0,0|1,0,2]=4 85 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 MC425726 [0,1,0,0,0,0|1,0,0]=2 86 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 MC20770 [0,1,0,0,0,0|1,0,0]=2 87 B13R2.162 O=C1COC2=C(N1)C(F)=CC=C2 MC442252 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.222 O=S1(=O)CC2=C(C=CC=C2)CN1 MC111723 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 CS22591 [0,1,0,0,0,0|1,0,2]=4 91 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,1,0,0,0,0|2,0,1]=4 92 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 MC30198 [0,1,0,0,0,0|1,0,1]=3 93 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [0,1,0,0,0,0|2,0,1]=4 95 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CS10739 [0,1,0,0,0,0|0,0,2]=3 96 B13R2.3683 CC1CNC2=C(C=CC(F)=C2)O1 MC430156 [0,1,0,0,0,0|2,0,1]=4 97 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 MC442450 [0,1,0,0,0,0|1,0,2]=4 98 B13R2.3683 NC1=CC=C2NC(=O)C=NC2=C1 MC443765 [0,1,0,0,0,0|2,0,1]=4 99 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 CS18810 [0,1,0,0,0,0|1,0,2]=4 100 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2O1 CS12500 [0,1,0,0,0,0|0,0,2]=3 101 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 CS13132 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.3683 O=C1C=NC2=CC(Cl)=CC=C2N1 CS13992 [0,1,0,0,0,0|2,0,1]=4 103 B13R2.3683 O=C1CC2=CC=C(Br)C=C2CN1 CS12768 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 CS14148 [0,1,0,0,0,0|1,0,0]=2 105 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 MC443490 [0,1,0,0,0,0|0,0,0]=1 106 B13R2.3683 O=C1CCC2=CC(Br)=CN=C2N1 CS17931 [0,1,0,0,0,0|2,0,0]=3 107 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 MC445396 [0,1,0,0,0,0|1,0,0]=2 108 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 CS11331 [0,1,0,0,0,0|1,0,0]=2 109 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 MC441110 [0,1,0,0,0,0|1,0,0]=2 110 B13R2.3683 O=C1CCC2=CC(I)=CC=C2N1 MC106640 [0,1,0,0,0,0|1,0,0]=2 111 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 CS10710 [0,1,0,0,0,0|1,0,0]=2 112 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 CS22115 [0,1,0,0,0,0|1,0,0]=2 113 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 MC442200 [0,1,0,0,0,0|2,0,0]=3 114 B13R2.3683 O=C1COC2=C(C=CC(Cl)=C2)N1 CS10801 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 MC442458 [0,1,0,0,0,0|2,0,0]=3 116 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 CS15735 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 MC442454 [0,1,0,0,0,0|2,0,0]=3 118 B13R2.3683 O=C1COC2=C(N=CC(Br)=C2)N1 CS14508 [0,1,0,0,0,0|3,0,0]=4 119 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 MC444421 [0,1,0,0,0,0|2,0,1]=4 120 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 MC10146 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.3683 O=C1NCC2=CC(Br)=CC=C2N1 MC115916 [0,1,0,0,0,0|2,0,0]=3 122 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 MC103322 [0,1,0,0,0,0|1,0,2]=4 123 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 MC20821 [0,1,0,0,0,0|1,0,0]=2 124 B13R2.5179 O=C1CCC2=C(F)C=CN=C2N1 MC432093 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.5179 O=C1COC2=C(C=CC=C2O)N1 MC441078 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.17 C=CCCC1=C(Br)C=NC=C1 MC431688 [0,0,1,0,0,0|3,0,0]=4 127 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [0,0,1,0,0,0|2,0,1]=4 128 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [0,0,1,0,0,0|1,0,0]=2 129 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,1,0,0,0|1,0,0]=2 130 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,1,0,0,0|2,0,0]=3 131 B11R1.41 CCOC1=C(OC)C=CC=C1 MC433385 [0,0,1,0,0,0|2,0,1]=4 132 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,0,1,0,0,0|2,0,0]=3 133 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,0,1,0,0,0|2,0,0]=3 134 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,0,1,0,0,0|2,0,0]=3 135 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,0,1,0,0,0|2,0,0]=3 136 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,0,1,0,0,0|3,0,0]=4 137 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,0,1,0,0,0|0,0,0]=1 138 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [0,0,1,0,0,0|2,1,0]=4 139 B11R1.86 CC(C)OC1=C(N)C=CC=C1 CS13469 [0,0,1,0,0,0|2,0,1]=4 140 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [0,0,1,0,0,0|2,0,0]=3 141 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [0,0,1,0,0,0|3,0,0]=4 142 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [0,0,1,0,0,0|3,0,0]=4 143 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [0,0,1,0,0,0|3,0,0]=4 144 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [0,0,1,0,0,0|3,0,0]=4 145 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [0,0,1,0,0,0|3,0,0]=4 146 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [0,0,1,0,0,0|3,0,0]=4 147 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,1,0,0,0|2,0,0]=3 148 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,1,0,0,0|3,0,0]=4 149 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,0,1,0,0,0|3,0,0]=4 150 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,1,0,0,0|2,0,0]=3 151 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,0,1,0,0,0|1,0,2]=4 152 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,1,0,0,0|2,0,0]=3 153 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,0,1,0,0,0|0,0,2]=3 154 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,0,1,0,0,0|2,0,0]=3 155 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,0,1,0,0,0|2,0,0]=3 156 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,1,0,0,0|1,0,0]=2 157 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,0,1,0,0,0|2,0,0]=3 158 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,0,1,0,0,0|0,0,2]=3 159 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,0,1,0,0,0|1,0,2]=4 160 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,0,1,0,0,0|1,0,2]=4 161 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,0,1,0,0,0|1,0,1]=3 162 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [0,0,0,0,1,0|2,0,1]=4 163 B11R2.1 BrC1=NNC2=CC=CC=C21 MC442207 [0,0,0,0,1,0|3,0,0]=4 164 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,0,1,0|1,0,1]=3 165 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,0,0,0,1,0|2,0,1]=4 166 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,0,0,0,1,0|2,0,1]=4 167 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [0,0,0,0,1,0|3,0,0]=4 168 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,0,0,0,1,0|3,0,0]=4 169 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [0,0,0,0,1,0|2,0,1]=4 170 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [0,0,0,0,1,0|2,0,1]=4 171 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS19970 [0,0,0,0,1,0|3,0,0]=4 172 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [0,0,0,0,1,0|2,0,1]=4 173 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [0,0,0,0,1,0|2,0,1]=4 174 B11R2.1 NC1=NNC2=CC=CC=C21 CS20708 [0,0,0,0,1,0|3,0,0]=4 175 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [0,0,0,0,1,0|3,0,0]=4 176 B11R2.1 NC1=NSC2=C1C=CC=C2 CS13975 [0,0,0,0,1,0|3,0,0]=4 177 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,0,0,0,1,0|1,0,1]=3 178 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,0,0,0,1,0|1,0,1]=3 179 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,0,0,0,1,0|1,0,1]=3 180 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,0,0,0,1,0|1,0,1]=3 181 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,0,0,0,1,0|1,0,1]=3 182 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,0,1,0|0,0,0]=1 183 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [0,0,0,0,1,0|1,0,0]=2 184 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [0,0,0,0,1,0|1,0,0]=2 185 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,0,0,0,1,0|1,0,0]=2 186 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [0,0,0,0,1,0|2,0,0]=3 187 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [0,0,0,0,1,0|2,0,0]=3 188 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,0,0,0,1,0|1,0,0]=2 189 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,0,0,0,1,0|1,0,0]=2 190 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [0,0,0,0,1,0|2,0,0]=3 191 B11R2.1 O=C1NNC2=CC=CN=C12 CS16829 [0,0,0,0,1,0|3,0,0]=4 192 B11R2.1 O=C1NNC2=CN=CC=C12 MC33248 [0,0,0,0,1,0|3,0,0]=4 193 B11R2.1 O=C1NNC2=NC=CC=C12 CS13662 [0,0,0,0,1,0|3,0,0]=4 194 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [0,0,0,0,1,0|2,0,0]=3 195 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,0,0,0,1,0|1,0,0]=2 196 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,0,0,0,1,0|2,0,0]=3 197 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [0,0,0,0,1,0|2,0,0]=3 198 B11R2.1 O=S1C=NC2=C1C=CC=C2 MC31232 [0,0,0,0,1,0|2,0,1]=4 199 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [0,0,0,0,1,0|2,0,1]=4 200 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,0,0,0,1,0|1,0,2]=4 201 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [0,0,0,0,1,0|2,0,0]=3 202 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [0,0,0,0,1,0|3,0,0]=4 203 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 MC442524 [0,0,0,0,1,0|2,0,0]=3 204 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 CS14031 [0,0,0,0,1,0|2,1,0]=4 205 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [0,0,0,0,1,0|2,0,0]=3 206 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [0,0,0,0,1,0|2,0,1]=4 207 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [0,0,0,0,1,0|3,0,0]=4 208 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [0,0,0,0,1,0|2,0,0]=3 209 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [0,0,0,0,1,0|2,1,0]=4 210 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [0,0,0,0,1,0|3,0,0]=4 211 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [0,0,0,0,1,0|2,0,1]=4 212 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [0,0,0,0,1,0|2,0,1]=4 213 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [0,0,0,0,1,0|2,0,1]=4 214 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [0,0,0,0,1,0|3,0,0]=4 215 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 MC31172 [0,0,0,0,1,0|2,0,0]=3 216 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 CS20002 [0,0,0,0,1,0|2,1,0]=4 217 B11R2.10 ClC1=NC2=CC=CN=C2O1 MC442529 [0,0,0,0,1,0|3,0,0]=4 218 B11R2.10 ClC1=NC2=NC=CC=C2O1 MC115944 [0,0,0,0,1,0|3,0,0]=4 219 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [0,0,0,0,1,0|1,1,1]=4 220 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [0,0,0,0,1,0|3,0,0]=4 221 B11R2.10 NC1=NC2=C(C=CC=C2)O1 MC31149 [0,0,0,0,1,0|2,0,0]=3 222 B11R2.10 NC1=NC2=C(C=CC=C2)S1 MC41744 [0,0,0,0,1,0|2,1,0]=4 223 B11R2.10 NC1=NC2=C(C=CN=C2)O1 CS16592 [0,0,0,0,1,0|3,0,0]=4 224 B11R2.10 NC1=NC2=C(C=NC=C2)O1 MC443260 [0,0,0,0,1,0|3,0,0]=4 225 B11R2.10 NC1=NC2=CC=CN=C2O1 MC113797 [0,0,0,0,1,0|3,0,0]=4 226 B11R2.10 NC1=NC2=CC=CN=C2O1 MC442528 [0,0,0,0,1,0|3,0,0]=4 227 B11R2.10 NC1CC2=CC=CC=C2C1 CS19882 [0,0,0,0,1,0|2,0,1]=4 228 B11R2.10 NN1CC2=CC=CC=C2C1 MC442461 [0,0,0,0,1,0|3,0,0]=4 229 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [0,0,0,0,1,0|0,0,0]=1 230 B11R2.10 O=C1CC2=C(N=CN=C2)N1 MC101998 [0,0,0,0,1,0|3,0,0]=4 231 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [0,0,0,0,1,0|1,0,0]=2 232 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [0,0,0,0,1,0|1,0,0]=2 233 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [0,0,0,0,1,0|2,0,0]=3 234 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [0,0,0,0,1,0|1,0,0]=2 235 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [0,0,0,0,1,0|2,0,0]=3 236 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [0,0,0,0,1,0|1,0,0]=2 237 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [0,0,0,0,1,0|3,0,0]=4 238 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [0,0,0,0,1,0|2,0,0]=3 239 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [0,0,0,0,1,0|1,0,0]=2 240 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [0,0,0,0,1,0|2,0,1]=4 241 B11R2.10 OC1CC2=CC=CC=C2C1 CS21608 [0,0,0,0,1,0|1,0,2]=4 242 B11R2.10 ON1CC2=CC=CC=C2C1 MC41790 [0,0,0,0,1,0|2,0,1]=4 243 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [0,0,0,0,1,0|2,1,0]=4 244 B11R2.10 SC1=NC2=C(C=CC=C2)O1 MC20463 [0,0,0,0,1,0|1,1,0]=3 245 B11R2.36 O=C1CCC2=C(C1)SC=N2 MC103261 [0,0,0,0,1,0|3,0,0]=4 246 B11R2.36 O=C1CCC2=C(C=NN2)C1 MC116171 [0,0,0,0,1,0|3,0,0]=4 247 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 MC442202 [0,0,0,0,0,1|1,0,0]=2 248 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,0,0,0,1|1,0,0]=2 249 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,0,0,0,0,1|1,0,0]=2 250 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,0,1,0,0,0|1,0,1]=4 251 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,0,1,0,0,0|2,0,0]=4 252 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,0,1,0,0,0|2,0,0]=4 253 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,0,1,0,0,0|1,0,1]=4 254 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,0,1,0,0,0|2,0,0]=4 255 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,0,1,0,0,0|1,0,1]=4 256 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [1,0,1,0,0,0|0,0,2]=4 257 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [1,0,1,0,0,0|1,0,1]=4 258 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,0,1,0,0,0|1,0,1]=4 259 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,0,1,0,0,0|1,0,1]=4 260 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,0,1,0,0,0|1,0,1]=4 261 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,0,1,0,0,0|1,0,1]=4 262 B10R1.4 CCOC1=CC=CN=C1C MC443397 [1,0,1,0,0,0|1,0,1]=4 263 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,0,1,0,0,0|2,0,0]=4 264 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,0,1,0,0,0|2,0,0]=4 265 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,0,1,0,0,0|2,0,0]=4 266 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,0,1,0,0,0|1,0,0]=3 267 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,0,1,0,0,0|1,0,0]=3 268 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,0,1,0,0,0|1,0,1]=4 269 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,0,1,0,0,0|1,0,1]=4 270 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,0,1,0,0,0|1,0,1]=4 271 B10R1.20 CCC1=C(C#N)C=CC=C1 MC40655 [1,0,1,0,0,0|1,0,1]=4 272 B10R1.20 CCC1=C(C=O)C=CC=C1 MC20141 [1,0,1,0,0,0|0,0,0]=2 273 B10R1.20 CCC1=C(NN)C=CC=C1 CS15134 [1,0,1,0,0,0|2,0,0]=4 274 B10R1.20 CNC1=C(C=O)C=CC=C1 CS17054 [1,0,1,0,0,0|1,0,0]=3 275 B10R1.20 COC1=C(C=O)C=CC=N1 CS20317 [1,0,1,0,0,0|2,0,0]=4 276 B10R1.20 COC1=C(C=O)C=CN=C1 MC442707 [1,0,1,0,0,0|2,0,0]=4 277 B10R1.20 COC1=C(CCl)C=CC=C1 MC20247 [1,0,1,0,0,0|1,0,1]=4 278 B10R1.20 COC1=C(CN)C=CC=C1 CS15681 [1,0,1,0,0,0|1,0,1]=4 279 B10R1.20 COC1=C(OC)C=CC=C1 CS12067 [1,0,1,0,0,0|1,0,1]=4 280 B10R1.20 COC1=CC=NC=C1C=O MC442745 [1,0,1,0,0,0|2,0,0]=4 281 B10R1.20 N#CC1=C(C=O)C=CC=C1 CS15835 [1,0,1,0,0,0|1,0,1]=4 282 B10R1.20 NCC1=C(C=O)C=CC=N1 MC33472 [1,0,1,0,0,0|2,0,0]=4 283 B10R1.20 O=CC1=CC=CC=C1C=O MC41138 [1,0,1,0,0,0|1,0,1]=4 284 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,1,0,0,0|2,0,0]=4 285 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,1,0,0,0|2,0,0]=4 286 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,1,0,0,0|2,0,0]=4 287 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,1,0,0,0|1,0,0]=3 288 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,1,0,0,0|1,0,1]=4 289 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,1,0,0,0|2,0,0]=4 290 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,1,0,0,0|1,0,0]=3 291 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,1,0,0,0|1,0,0]=3 292 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,1,0,0,0|2,0,0]=4 293 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [0,1,1,0,0,0|1,0,0]=3 294 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [0,1,1,0,0,0|0,0,2]=4 295 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,1,1,0,0,0|1,0,0]=3 296 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [0,1,1,0,0,0|1,0,1]=4 297 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,1,1,0,0,0|2,0,0]=4 298 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,1,1,0,0,0|2,0,0]=4 299 B12R1.374 O=C\C=C\C1=C(O)C=CC(Cl)=C1 MC111789 [0,1,1,0,0,0|0,0,2]=4 300 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,1,1,0,0,0|1,1,0]=4 301 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,1,1,0,0,0|2,0,0]=4 302 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 MC40795 [0,1,1,0,0,0|1,0,1]=4 303 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,1,1,0,0,0|2,0,0]=4 304 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,1,1,0,0,0|2,0,0]=4 305 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,1,1,0,0,0|2,0,0]=4 306 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,1,1,0,0,0|2,0,0]=4 307 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,1,1,0,0,0|2,0,0]=4 308 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 CS16300 [0,1,1,0,0,0|2,0,0]=4 310 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 MC40006 [0,1,1,0,0,0|1,0,0]=3 311 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 MC40157 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.124 CC(=O)C(Br)C1=C(F)C=CC=C1 MC432040 [0,1,1,0,0,0|2,0,0]=4 313 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 MC106796 [0,1,1,0,0,0|2,0,0]=4 314 B12R1.127 CC(=O)NC1=C(Br)C=CC(C)=C1 MC40955 [0,1,1,0,0,0|2,0,0]=4 315 B12R1.127 CC(=O)NC1=C(O)C=CC(Br)=C1 MC427097 [0,1,1,0,0,0|2,0,0]=4 316 B12R1.127 CC(=O)Nc1cc(F)ccc1F MC40960 [0,1,1,0,0,0|2,0,0]=4 317 B12R1.127 CC(=O)Nc1cc(N)ccc1F MC40954 [0,1,1,0,0,0|2,0,0]=4 318 B12R1.127 CC1=C(CC(=O)O)C=C(F)C=C1 MC40172 [0,1,1,0,0,0|2,0,0]=4 319 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 CS11111 [0,1,1,0,0,0|2,0,0]=4 320 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 MC40957 [0,1,1,0,0,0|2,0,0]=4 321 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F CS12682 [0,1,1,0,0,0|2,0,0]=4 322 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C MC20108 [0,1,1,0,0,0|2,0,0]=4 323 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O MC431246 [0,1,1,0,0,0|2,0,0]=4 324 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,1,1,0,0,0|0,0,0]=2 325 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,1,1,0,0,0|2,0,0]=4 326 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,1,1,0,0,0|2,0,0]=4 327 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,1,1,0,0,0|2,0,0]=4 328 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,1,1,0,0,0|2,0,0]=4 329 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,1,1,0,0,0|2,0,0]=4 330 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,1,1,0,0,0|2,0,0]=4 331 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,1,1,0,0,0|1,0,1]=4 332 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,1,1,0,0,0|0,0,0]=2 333 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,1,1,0,0,0|0,0,0]=2 334 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS20300 [0,1,1,0,0,0|1,0,0]=3 335 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,1,1,0,0,0|0,0,0]=2 336 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,1,1,0,0,0|0,0,2]=4 337 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CS21739 [0,1,1,0,0,0|1,0,1]=4 338 B12R2.1081 BrC1=C2CCCNC2=CC=C1 CS18620 [1,1,0,0,0,0|1,0,1]=4 339 B12R2.1081 BrC1=C2CCCNC2=CC=C1 MC441076 [1,1,0,0,0,0|1,0,1]=4 340 B12R2.1081 BrC1=C2CCNCC2=CC=C1 CS19342 [1,1,0,0,0,0|2,0,0]=4 341 B12R2.1081 BrC1=C2CNCCC2=CC=C1 CS12481 [1,1,0,0,0,0|2,0,0]=4 342 B12R2.1081 BrC1=C2CNCCC2=CC=C1 CS15449 [1,1,0,0,0,0|2,0,0]=4 343 B12R2.1081 CC1CCNC2=CC=CC=C21 CS17518 [1,1,0,0,0,0|1,0,1]=4 344 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [1,1,0,0,0,0|2,0,0]=4 345 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [1,1,0,0,0,0|2,0,0]=4 346 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [1,1,0,0,0,0|2,0,0]=4 347 B12R2.1081 ClC1=C2CCCNC2=CC=C1 CS19411 [1,1,0,0,0,0|1,0,1]=4 348 B12R2.1081 ClC1=C2CNCCC2=CC=C1 CS17691 [1,1,0,0,0,0|2,0,0]=4 349 B12R2.1081 ClC1=C2NCCCC2=CC=C1 MC441108 [1,1,0,0,0,0|1,0,1]=4 350 B12R2.1081 FC1=C2CCCNC2=CC=C1 MC100194 [1,1,0,0,0,0|1,0,1]=4 351 B12R2.1081 FC1=C2CCCNC2=CC=C1 MC430214 [1,1,0,0,0,0|1,0,1]=4 352 B12R2.1081 FC1=C2CCNCC2=CC=C1 CS19337 [1,1,0,0,0,0|2,0,0]=4 353 B12R2.1081 FC1=C2CCNCC2=CC=C1 MC431444 [1,1,0,0,0,0|2,0,0]=4 354 B12R2.1081 FC1=CC=CC2=C1CC=CO2 MC41786 [1,1,0,0,0,0|0,0,1]=3 355 B12R2.1081 FC1=CC=CC2=C1NCCO2 MC443372 [1,1,0,0,0,0|1,0,1]=4 356 B12R2.1081 NC1=CC=CC2=C1NCCO2 MC111436 [1,1,0,0,0,0|1,0,1]=4 357 B12R2.1081 NC1=CC=CC2=C1OCCO2 MC430590 [1,1,0,0,0,0|1,0,1]=4 358 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [1,1,0,0,0,0|1,0,1]=4 359 B12R2.1081 NC1CCOC2=CC=CC=C21 CS18355 [1,1,0,0,0,0|0,0,1]=3 360 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [1,1,0,0,0,0|2,0,0]=4 361 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [1,1,0,0,0,0|1,0,1]=4 362 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [1,1,0,0,0,0|0,0,2]=4 363 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [1,1,0,0,0,0|2,0,0]=4 364 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [1,1,0,0,0,0|2,0,0]=4 365 B12R2.1081 OC1=C2CNCCC2=CC=C1 MC105733 [1,1,0,0,0,0|2,0,0]=4 366 B12R2.1081 OC1=C2NCCCC2=CC=C1 CS19254 [1,1,0,0,0,0|1,0,1]=4 367 B12R2.1081 OC1=CC=CC2=C1CCNC2 MC425651 [1,1,0,0,0,0|2,0,0]=4 368 B12R2.1081 OC1=CC=CC2=C1OCCN2 MC441075 [1,1,0,0,0,0|1,0,1]=4 369 B12R2.1081 OC1=CC=CC2=C1OCCO2 CS12196 [1,1,0,0,0,0|1,0,1]=4 370 B12R2.1081 OC1CNCC2=CC=CC=C21 MC111757 [1,1,0,0,0,0|2,0,0]=4 371 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [0,1,0,0,1,0|1,0,1]=4 372 B12R2.1 N#CC1CCC2=CC=CC=C21 CS13197 [0,1,0,0,1,0|1,0,1]=4 373 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [0,1,0,0,1,0|1,0,1]=4 374 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [0,1,0,0,1,0|1,0,1]=4 375 B12R2.1 O=CC1=NNC2=CC=CC=C21 CS20713 [0,1,0,0,1,0|2,0,0]=4 376 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,1,0,0,1,0|0,0,0]=2 377 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,1,0,0,1,0|2,0,0]=4 378 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [0,1,0,0,1,0|1,0,1]=4 379 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [0,1,0,0,1,0|1,0,1]=4 380 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,1,0,0,1,0|0,0,2]=4 381 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,1,0,0,1,0|1,0,1]=4 382 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 MC446759 [0,1,0,0,1,0|0,0,0]=2 383 B12R2.132 CC1=NC=C2OCC(=O)C2=C1 MC102724 [0,1,0,0,1,0|2,0,0]=4 384 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 MC446750 [0,1,0,0,1,0|0,0,0]=2 385 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC104166 [0,1,0,0,1,0|1,0,1]=4 386 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC105332 [0,1,0,0,1,0|1,0,1]=4 387 B12R2.132 NC1CCC2=CC=C(F)C=C21 MC431345 [0,1,0,0,1,0|1,0,1]=4 388 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC104168 [0,1,0,0,1,0|1,0,1]=4 389 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC105334 [0,1,0,0,1,0|1,0,1]=4 390 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 CS18733 [0,1,0,0,1,0|0,0,0]=2 391 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS13722 [0,1,0,0,1,0|0,0,0]=2 392 B12R2.132 O=C1CCC2=CC=C(F)C=C12 MC429567 [0,1,0,0,1,0|0,0,0]=2 393 B12R2.132 O=C1CCC2=CC=C(I)C=C12 CS19840 [0,1,0,0,1,0|0,0,0]=2 394 B12R2.132 O=C1CCC2=CC=C(O)C=C12 CS15371 [0,1,0,0,1,0|0,0,0]=2 395 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS18239 [0,1,0,0,1,0|1,0,0]=3 396 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 MC428126 [0,1,0,0,1,0|1,0,0]=3 397 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [0,1,0,0,1,0|1,0,0]=3 398 B12R2.132 O=C1COC2=C1C=C(I)C=C2 MC100482 [0,1,0,0,1,0|1,0,0]=3 399 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 CS14261 [0,1,0,0,1,0|1,0,0]=3 400 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 CS17280 [0,1,0,0,1,0|2,0,0]=4 401 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 CS15251 [0,1,0,0,1,0|2,0,0]=4 402 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 MC427277 [0,1,0,0,1,0|2,0,0]=4 403 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 CS16834 [0,1,0,0,1,0|2,0,0]=4 404 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 CS12535 [0,1,0,0,1,0|1,0,0]=3 405 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 CS14012 [0,1,0,0,1,0|0,0,0]=2 406 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 MC446724 [0,1,0,0,1,0|0,0,0]=2 407 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 CS22586 [0,1,0,0,1,0|1,0,0]=3 408 B12R2.196 NC1=C2COC(=O)C2=CC=C1 CS14004 [0,1,0,0,1,0|1,0,0]=3 409 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14533 [0,1,0,0,1,0|1,0,1]=4 410 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14534 [0,1,0,0,1,0|1,0,1]=4 411 B12R2.196 NC1CCC2=C(F)C=CC=C21 CS18746 [0,1,0,0,1,0|1,0,1]=4 412 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CS10966 [0,1,0,0,1,0|0,0,0]=2 413 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS18751 [0,1,0,0,1,0|0,0,0]=2 414 B12R2.196 O=C1CCC2=C(F)C=CC=C12 MC442503 [0,1,0,0,1,0|0,0,0]=2 415 B12R2.196 O=C1CCC2=C(O)C=CC=C12 CS19922 [0,1,0,0,1,0|0,0,0]=2 416 B12R2.196 O=C1COC2=C1C=CC=C2F MC113785 [0,1,0,0,1,0|1,0,0]=3 417 B12R2.196 O=C1COC2=C1C=CC=C2I MC114833 [0,1,0,0,1,0|1,0,0]=3 418 B12R2.196 O=C1CSC2=C1C=CC=C2F MC107892 [0,1,0,0,1,0|1,0,0]=3 419 B12R2.196 O=C1NCC2=C(O)C=CC=C12 CS14659 [0,1,0,0,1,0|1,0,0]=3 420 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 CS22636 [0,1,0,0,1,0|1,0,0]=3 421 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 MC106557 [0,1,0,0,1,0|0,0,0]=2 422 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 MC429388 [0,1,0,0,1,0|0,0,0]=2 423 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS15500 [0,1,0,0,1,0|0,0,0]=2 424 B12R2.203 O=C1CCC2=CC=CC(I)=C12 MC113777 [0,1,0,0,1,0|0,0,0]=2 425 B12R2.203 O=C1CCC2=CC=CC(O)=C12 CS12591 [0,1,0,0,1,0|0,0,0]=2 426 B12R2.203 O=C1COC2=C1C(F)=CC=C2 MC113791 [0,1,0,0,1,0|1,0,0]=3 427 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 CS14262 [0,1,0,0,1,0|1,0,0]=3 428 B12R2.203 O=C1NCC2=CC=CC(I)=C12 MC100883 [0,1,0,0,1,0|1,0,0]=3 429 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 MC115929 [0,1,0,0,1,0|2,0,0]=4 430 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [0,1,0,0,1,0|0,0,0]=2 431 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 CS16081 [0,1,0,0,1,0|1,0,1]=4 432 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [0,1,0,0,1,0|0,0,0]=2 433 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 MC100084 [0,1,0,0,1,0|1,0,0]=3 434 B12R2.612 NC1CCC2=CC(F)=CC=C21 MC431475 [0,1,0,0,1,0|1,0,1]=4 435 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [0,1,0,0,1,0|0,0,0]=2 436 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [0,1,0,0,1,0|0,0,0]=2 437 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [0,1,0,0,1,0|0,0,0]=2 438 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,1,0,0,1,0|0,0,0]=2 439 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [0,1,0,0,1,0|1,0,0]=3 440 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [0,1,0,0,1,0|1,0,0]=3 441 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [0,1,0,0,1,0|1,0,0]=3 442 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 CS12118 [0,1,0,0,1,0|1,0,0]=3 443 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 MC111565 [0,1,0,0,1,0|2,0,0]=4 444 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 CS10349 [0,1,0,0,1,0|1,0,0]=3 445 B12R2.612 O=C1NCC2=CC(F)=CC=C12 CS15892 [0,1,0,0,1,0|1,0,0]=3 446 B12R2.612 O=C1NCC2=CC(O)=CC=C12 CS15015 [0,1,0,0,1,0|1,0,0]=3 447 B12R2.612 O=C1NNC2=CC(F)=CC=C12 CS10702 [0,1,0,0,1,0|2,0,0]=4 448 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 CS16833 [0,1,0,0,1,0|2,0,0]=4 449 B12R2.612 O=C1OCC2=C1C=NC(Cl)=C2 MC104939 [0,1,0,0,1,0|2,0,0]=4 450 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS10666 [0,1,0,0,1,0|1,0,0]=3 451 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [0,1,0,0,1,0|1,0,0]=3 452 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,1,0,0,1,0|0,0,0]=2 453 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 MC41774 [0,1,0,0,1,0|1,0,1]=4 454 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [0,1,0,0,1,0|1,0,1]=4 455 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [0,1,0,0,1,0|2,0,0]=4 456 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 CS11876 [0,1,0,0,1,0|1,0,1]=4 457 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,1,0,0,1,0|2,0,0]=4 458 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,1,0,0,1,0|1,1,0]=4 459 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,1,0,0,1,0|2,0,0]=4 460 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,1,0,0,1,0|1,0,1]=4 461 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,1,0,0,1,0|1,0,1]=4 462 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,1,0,0,1,0|0,1,1]=4 463 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,1,0,0,1,0|1,0,1]=4 464 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [0,1,0,0,1,0|1,0,1]=4 465 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [0,1,0,0,1,0|2,0,0]=4 466 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,1,0,0,1,0|0,0,2]=4 467 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [0,1,0,0,1,0|1,0,0]=3 468 B12R2.202 CC1=NC2=C(C=CC=C2Br)O1 MC442517 [0,1,0,0,1,0|2,0,0]=4 469 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 CS12799 [0,1,0,0,1,0|2,0,0]=4 470 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 CS18574 [0,1,0,0,1,0|1,0,0]=3 471 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 CS12508 [0,1,0,0,1,0|2,0,0]=4 472 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 CS18158 [0,1,0,0,1,0|1,0,0]=3 473 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS22838 [0,1,0,0,1,0|1,0,0]=3 474 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 CS14679 [0,1,0,0,1,0|1,0,0]=3 475 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 CS22741 [0,1,0,0,1,0|1,0,0]=3 476 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 MC10111 [0,1,0,0,1,0|1,0,0]=3 477 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 MC10168 [0,1,0,0,1,0|1,0,0]=3 478 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 MC31137 [0,1,0,0,1,0|1,1,0]=4 479 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 CS15435 [0,1,0,0,1,0|1,1,0]=4 480 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 CS14681 [0,1,0,0,1,0|1,0,0]=3 481 B12R2.202 O=C1NC2=C(S1)C(Cl)=CC=C2 CS17214 [0,1,0,0,1,0|1,1,0]=4 482 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [0,1,0,0,1,0|1,0,1]=4 483 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 CS11036 [0,1,0,0,1,0|2,0,0]=4 484 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 MC441288 [0,1,0,0,1,0|1,0,1]=4 485 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [0,1,0,0,1,0|1,0,0]=3 486 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 CS15472 [0,1,0,0,1,0|1,0,0]=3 487 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 CS10632 [0,1,0,0,1,0|2,0,0]=4 488 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 MC442522 [0,1,0,0,1,0|2,0,0]=4 489 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 MC427398 [0,1,0,0,1,0|2,0,0]=4 490 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 MC442516 [0,1,0,0,1,0|2,0,0]=4 491 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 MC20465 [0,1,0,0,1,0|2,0,0]=4 492 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS16740 [0,1,0,0,1,0|2,0,0]=4 493 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 MC31129 [0,1,0,0,1,0|2,0,0]=4 494 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 MC31128 [0,1,0,0,1,0|2,0,0]=4 495 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 CS13138 [0,1,0,0,1,0|2,0,0]=4 496 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 CS15195 [0,1,0,0,1,0|2,0,0]=4 497 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS10376 [0,1,0,0,1,0|2,0,0]=4 498 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [0,1,0,0,1,0|1,0,0]=3 499 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [0,1,0,0,1,0|1,0,0]=3 500 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC427120 [0,1,0,0,1,0|1,0,0]=3 501 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC446685 [0,1,0,0,1,0|1,0,0]=3 502 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 MC443172 [0,1,0,0,1,0|2,0,0]=4 503 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 MC106736 [0,1,0,0,1,0|2,0,0]=4 504 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 CS22042 [0,1,0,0,1,0|1,0,0]=3 505 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 CS10243 [0,1,0,0,1,0|2,0,0]=4 506 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 CS22052 [0,1,0,0,1,0|1,0,0]=3 507 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 MC113004 [0,1,0,0,1,0|2,0,0]=4 508 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 MC100081 [0,1,0,0,1,0|2,0,0]=4 509 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [0,1,0,0,1,0|1,0,0]=3 510 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [0,1,0,0,1,0|1,0,0]=3 511 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [0,1,0,0,1,0|1,0,0]=3 512 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [0,1,0,0,1,0|1,0,0]=3 513 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 MC113015 [0,1,0,0,1,0|2,0,0]=4 514 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 MC113035 [0,1,0,0,1,0|2,0,0]=4 515 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 MC111563 [0,1,0,0,1,0|2,0,0]=4 516 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 CS18286 [0,1,0,0,1,0|2,0,0]=4 517 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS13902 [0,1,0,0,1,0|1,0,0]=3 518 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 CS15336 [0,1,0,0,1,0|1,1,0]=4 519 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 CS10315 [0,1,0,0,1,0|2,0,0]=4 520 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 MC31174 [0,1,0,0,1,0|1,1,0]=4 521 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 MC425675 [0,1,0,0,1,0|2,0,0]=4 522 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 MC31175 [0,1,0,0,1,0|1,1,0]=4 523 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 MC101888 [0,1,0,0,1,0|2,0,0]=4 524 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [0,1,0,0,1,0|1,0,0]=3 525 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 MC445105 [0,1,0,0,1,0|2,0,0]=4 526 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 CS10329 [0,1,0,0,1,0|1,1,0]=4 527 B12R2.606 SC1=NC2=C(C=CC(Br)=C2)O1 CS10298 [0,1,0,0,1,0|1,1,0]=4 528 B14R2.287 CC1=NCC(=O)NC2=C1C=CC=C2 MC116462 [0,1,0,0,0,1|1,0,1]=4 529 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 MC104102 [0,1,0,0,0,1|1,0,0]=3 530 B14R2.29369 CN1C(=O)CNC2=CC(Cl)=CC=C21 MC443710 [0,2,0,0,0,0|2,0,0]=4 531 B14R2.134 COC1=CC=C2CCC(=O)NC2=C1 CS15545 [0,2,0,0,0,0|1,0,0]=3 532 B14R2.134 COC1=CC=C2OCC(=O)CC2=C1 MC442814 [0,2,0,0,0,0|2,0,0]=4 533 B14R2.134 N#CC1=CC2=C(C=C1)OCC(=O)N2 MC443820 [0,2,0,0,0,0|2,0,0]=4 534 B14R2.134 N#CC1=CC=C2CCC(=O)NC2=C1 MC107651 [0,2,0,0,0,0|1,0,0]=3 535 B14R2.134 O=C1CSC2=C(C=C(CO)C=C2)N1 MC111089 [0,2,0,0,0,0|2,0,0]=4 536 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [0,2,0,0,0,0|1,0,1]=4 537 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [0,2,0,0,0,0|1,0,1]=4 538 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [0,2,0,0,0,0|1,0,1]=4 539 B14R2.2332 N#CC1=CC2=C(C=C1)CC(=O)CC2 MC443480 [0,2,0,0,0,0|1,0,0]=3 540 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 CS14117 [0,2,0,0,0,0|0,0,2]=4 541 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 CS11356 [0,2,0,0,0,0|0,0,2]=4 542 B14R2.29365 CC1=CC(=O)OC2=CC(S)=CC=C12 MC443166 [0,2,0,0,0,0|0,0,2]=4 543 B14R2.29365 O=C1C=CC2=C(O)C=C(O)C=C2O1 CS10182 [0,2,0,0,0,0|0,0,2]=4 544 B14R2.29365 O=C1CCC2=C(F)C=C(F)C=C2C1 MC425747 [0,2,0,0,0,0|1,0,0]=3 545 B14R2.8235 CC1=CC(=O)OC2=CC=C(O)C=C12 MC440304 [0,2,0,0,0,0|0,0,2]=4 546 B14R2.8235 O=C1CCC2=CC(F)=CC(F)=C2C1 MC10350 [0,2,0,0,0,0|1,0,0]=3 547 B14R2.29496 NC1CS(=O)(=O)Cc2ccccc21 MC100145 [0,2,0,0,0,0|2,0,0]=4 548 B14R2.1073 COC1=C2CCC(=O)CC2=CC=C1 CS10074 [0,2,0,0,0,0|1,0,0]=3 549 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,0,1,1,0,0|1,0,0]=3 550 B12R2.315 COC1=CC=CC2=C1OC=C2 CS21625 [0,0,1,1,0,0|2,0,0]=4 551 B12R2.315 OCc1cccc2ccoc12 MC103541 [0,0,1,1,0,0|2,0,0]=4 552 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,0,1,1,0,0|1,0,0]=3 553 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,0,1,0,1,0|2,0,0]=4 554 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,1,0,1,0|1,0,1]=4 555 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,1,0,1,0|1,0,1]=4 556 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,0,1,0,1,0|1,0,1]=4 557 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,1,0,1,0|1,0,0]=3 558 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,0,1,0,1,0|2,0,0]=4 559 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,0,1,0,1,0|2,0,0]=4 560 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,0,1,0,1,0|2,0,0]=4 561 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,0,1,0,1,0|1,0,0]=3 562 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,0,1,0,1,0|2,0,0]=4 563 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,1,0,1,0|2,0,0]=4 564 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,0,1,0,1,0|1,0,0]=3 565 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,0,1,0,1,0|2,0,0]=4 566 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,0,1,0,1,0|2,0,0]=4 567 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,0,1,0,1,0|1,0,0]=3 568 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,0,1,0,1,0|1,0,0]=3 569 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,0,1,0,1,0|1,0,0]=3 570 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,0,1,0,1,0|0,0,0]=2 571 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,0,1,0,1,0|1,0,0]=3 572 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,0,1,0,1,0|1,0,0]=3 573 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,0,1,0,1,0|2,0,0]=4 574 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,0,1,0,1,0|1,0,0]=3 575 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,0,1,0,1,0|2,0,0]=4 576 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,0,1,0,1,0|1,0,0]=3 577 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,0,1,0,1,0|2,0,0]=4 578 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,0,1,0,1,0|2,0,0]=4 579 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,0,1,0,1,0|2,0,0]=4 580 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,0,1,0,1,0|2,0,0]=4 581 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [0,0,1,0,1,0|2,0,0]=4 582 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,0,1,0,1,0|2,0,0]=4 583 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,0,1,0,1,0|2,0,0]=4 584 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,0,1,0,1,0|2,0,0]=4 585 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,0,1,0,1,0|2,0,0]=4 586 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,0,1,0,1,0|1,0,0]=3 587 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,0,1,0,1,0|2,0,0]=4 588 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [0,0,1,0,1,0|2,0,0]=4 589 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [0,0,1,0,1,0|2,0,0]=4 590 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [0,0,1,0,1,0|2,0,0]=4 591 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [0,0,1,0,1,0|2,0,0]=4 592 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,0,1,0,1,0|2,0,0]=4 593 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,0,1,0,1,0|2,0,0]=4 594 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,0,1,0,1,0|2,0,0]=4 595 B10R1.61 Cc1ccccc1C(C)Br MC106119 [0,0,1,0,1,0|1,0,1]=4 596 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,0,1,0,1,0|2,0,0]=4 597 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,0,1,0,1,0|2,0,0]=4 598 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,0,1,0,1,0|2,0,0]=4 599 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,0,1,0,1,0|2,0,0]=4 600 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,0,1,0,1,0|2,0,0]=4 601 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,0,1,0,1,0|2,0,0]=4 602 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,0,1,0,1,0|2,0,0]=4 603 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,0,1,0,1,0|2,0,0]=4 604 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,0,1,0,1,0|2,0,0]=4 605 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,0,1,0,1,0|2,0,0]=4 606 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,0,1,0,1,0|2,0,0]=4 607 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,0,1,0,1,0|2,0,0]=4 608 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,0,1,0,1,0|2,0,0]=4 609 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,0,1,0,1,0|2,0,0]=4 610 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [0,0,1,0,1,0|1,0,0]=3 611 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [0,0,1,0,1,0|1,0,0]=3 612 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [0,0,1,0,1,0|1,0,0]=3 613 B10R1.66 O=C(O)CCC1=CNC=N1 MC436928 [0,0,1,0,1,0|2,0,0]=4 614 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,0,1,0|1,0,1]=4 615 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,0,1,0|2,0,0]=4 616 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,0,1,0|1,0,0]=3 617 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,0,1,0|0,0,0]=2 618 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,0,1,0|1,0,0]=3 619 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [1,0,0,0,1,0|0,1,1]=4 620 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [1,0,0,0,1,0|1,1,0]=4 621 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [1,0,0,0,1,0|1,0,1]=4 622 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,0,1,0|0,0,1]=3 623 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,0,1,0|1,0,1]=4 624 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,0,1,0|1,0,1]=4 625 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,0,1,0|1,0,1]=4 626 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,0,1,0|1,0,0]=3 627 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [1,0,0,0,1,0|2,0,0]=4 628 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,0,1,0|0,0,1]=3 629 B10R2.7 C1=CN=C2CCCC2=C1 CS14838 [1,0,0,0,1,0|1,0,1]=4 630 B10R2.7 C1=CN=C2CCNC2=C1 MC107728 [1,0,0,0,1,0|2,0,0]=4 631 B10R2.7 C1=CN=C2NCCC2=C1 CS21039 [1,0,0,0,1,0|2,0,0]=4 632 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [1,0,0,0,1,0|1,0,1]=4 633 B10R2.7 C1=CN=C2OCOC2=C1 MC111188 [1,0,0,0,1,0|2,0,0]=4 634 B10R2.32 O=C1CCC2=C1SC=C2 MC429082 [0,0,0,0,2,0|1,0,0]=3 635 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,1,0,0,1|1,0,0]=3 636 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,0,1,0,0,1|1,0,1]=4 637 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,0,1,0,0,1|1,1,0]=4 638 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [0,0,1,0,0,1|1,0,0]=3 639 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,0,1,0,0,1|0,0,0]=2 640 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,0,1,0,0,1|0,0,0]=2 641 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [0,0,1,0,0,1|1,0,0]=3 642 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,0,1,0,0,1|0,0,0]=2