0 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 CS21523 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 CS15281 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 CS12568 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 CS15310 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.53 CNC1=NC=CC=C1[N+](=O)[O-] MC427368 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 MC40492 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.53 COC1=C(C(=O)O)C=CC=C1 CS15086 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.53 COC1=C(C(=O)O)C=CC=N1 CS20330 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.53 COC1=C(C(C)=O)C=CN=C1 MC105760 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.53 COC1=C(C(C)=O)C=NC=C1 MC102690 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.53 COC1=CC=CN=C1C(=O)O CS22335 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.53 COC1=CC=CN=C1C(C)=O CS16598 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] CS19391 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.53 COC1=NC=CC=C1C(C)=O MC102691 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] CS13911 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.53 COC1=NC=CN=C1C(=O)O CS16473 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 CS21516 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.53 N#CC1=CC=CN=C1C(=O)O MC103589 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 CS16759 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 CS17869 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.53 O=[N+]([O-])C1=CC=CN=C1CO MC430446 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.20 CCC1=C(C=O)C=CC=C1 MC20141 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.20 CNC1=C(C=O)C=CC=C1 CS17054 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.20 CNC1=NC=CC=C1CO CS10541 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.20 COC1=C(C=O)C=CC=N1 CS20317 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.20 COC1=C(CN)N=NC=N1 MC105033 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.20 COC1=CC=CN=C1CBr CS13321 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.20 COC1=CC=CN=C1CN CS18076 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.20 COC1=CC=CN=C1CN MC431773 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.20 COC1=CC=CN=C1OC CS14783 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.20 COC1=NC=CC=C1CCl CS16832 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.20 COC1=NC=CC=C1CN CS14780 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.20 COC1=NC=CC=C1CN CS17327 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.20 COC1=NC=CC=C1CO CS13650 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.20 ClCC1=NC=CN=C1CCl MC115961 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.20 N#CC1=C(C=O)N=CC=C1 MC33525 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.20 N#CC1=NC=CC=C1C=O MC442793 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.20 NCC1=C(C=O)C=CC=N1 MC33472 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.61 CC1=C(C(=O)O)C=CN=N1 MC104787 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] MC10428 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.61 CN(C)C1=NC=CN=C1N CS21223 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.61 NC(=O)C1=NC=CN=C1Cl CS15991 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.61 NC(=O)C1=NC=CN=C1N CS14571 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl MC115890 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.46 CCC1=C(C(=O)O)C=C(I)C=C1 MC111699 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=N1 CS20188 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 MC442666 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 MC41253 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.46 COC1=CC=C(C)N=C1C(=O)O MC111035 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 MC431231 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 MC441307 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 MC441122 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 CS16731 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 MC31158 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.57 COC1=CC(Br)=CN=C1C(C)=O CS17619 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 MC429151 [0,1,0,0,0,0|1,0,2]=4 101 B12R1.77 COC(=O)C1=C(C#N)N=CC=C1 MC33457 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.77 COC(=O)C1=C(C=O)N=CC=C1 MC431364 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 CS18185 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.77 COC(=O)C1=C(OC)N=CC=C1 CS13707 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.77 COC(=O)C1=NC=CC=C1C=O MC102694 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.77 COC(=O)C1=NC=CC=C1OC CS22344 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 CS11020 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.87 COC1=C(C(C)=O)C=CC=C1Br MC442667 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.87 COC1=C(C(C)=O)C=CC=C1O MC443238 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.87 COC1=C(F)C=CN=C1C(=O)O MC431069 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.261 CC(=O)C1=NC=CC=C1[N+](=O)[O-] MC104525 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.261 CC(C)C1=C(C(=O)O)C=CC=C1 MC433703 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.261 O=C(O)C1=C(C(F)F)N=CC=C1 MC429264 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.261 O=C(O)C1=CC=CN=C1C(F)F MC431892 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O MC20460 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 CS13616 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.283 CCOC1=CC=CN=C1C(=O)O MC41614 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 MC106370 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O CS17977 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.437 COC1=CC=CC(Cl)=C1C(C)=O CS17184 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.437 COC1=CC=CC(F)=C1C(C)=O MC430014 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.437 COc1cccc(O)c1C(C)=O MC433242 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 CS19791 [0,0,0,1,0,0|1,0,2]=4 124 B12R2.1081 CC1=CC=NC2=NC=CN=C12 MC107832 [0,0,0,1,0,0|2,0,1]=4 125 B12R2.1081 NC1CCCC2=C1C=CC=N2 MC103512 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.1081 NC1CCCC2=C1N=CC=C2 CS18224 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.1081 NC1CCCC2=C1N=CC=N2 CS15912 [0,0,0,1,0,0|1,0,1]=3 128 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS18351 [0,0,0,1,0,0|1,0,0]=2 129 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS16479 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS18873 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS15049 [0,0,0,1,0,0|1,0,0]=2 132 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.1081 OC1CCCC2=C1N=CC=C2 CS18737 [0,0,0,1,0,0|1,0,2]=4 140 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.2028 O=C1OC(=O)C2=NC=CN=C12 CS18650 [0,0,0,1,0,0|2,0,1]=4 142 B10R1.39 CCC1=C(C(=O)O)C=NN1 CS13815 [0,0,0,0,1,0|2,0,1]=4 143 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 MC40006 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.15 CC1=CC=CC=C1C=O CS19114 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.15 CC1=CC=CN=C1C=O CS14987 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.15 CC1=CC=CN=C1CCl CS15725 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.15 CC1=CC=CN=C1CO CS19225 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.15 CC1=NC=CC=C1CCl MC104832 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 CC1=NC=CC=C1CN MC102930 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 CC1=NC=CC=C1CO CS20145 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.15 CC1=NC=CN=C1CCl MC104771 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.15 CC1=NC=CN=C1CN MC103464 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.15 CC1=NC=CN=C1NN MC111198 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.15 CCC1=NC=CC=C1Br MC105746 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.15 COC1=NC=CC=C1C MC33438 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.15 COC1=NC=CN=C1Br CS12288 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.15 COC1=NC=CN=C1Cl CS14291 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 COC1=NC=CN=C1N MC441119 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 ClCC1=NC=CN=C1Cl CS12698 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 NC1=C(C=O)C=CC=N1 CS19340 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.15 NC1=NC=CN=C1C=O CS13122 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.15 NCC1=NC=CN=C1Cl CS14522 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 NCC1=NC=CN=C1Cl CS14728 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 O=CC1=C(Br)N=CC=C1 CS17915 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.15 O=CC1=C(Cl)N=CC=C1 CS14208 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.15 O=CC1=C(F)N=CC=C1 CS18263 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 O=CC1=C(O)N=CC=C1 CS19011 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.15 O=CC1=NC=CC=C1Br MC442737 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.15 O=CC1=NC=CC=C1F CS14128 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.15 O=CC1=NC=CC=C1O MC443215 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.15 O=CC1=NC=CN=C1Cl MC103025 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.15 OCC1=NC=CN=C1Cl MC444258 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [2,0,0,0,0,0|0,0,0]=2 183 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [2,0,0,0,0,0|1,0,1]=4 185 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [2,0,0,0,0,0|1,0,0]=3 192 B11R1.37 CCC1=C(C=O)C=C(Br)C=C1 MC443562 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.37 CCC1=C(C=O)C=CC(O)=C1 MC441221 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.37 COC1=C(C=O)C=C(Br)C=N1 MC431751 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.37 COC1=C(C=O)C=C(F)C=N1 MC430389 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.37 COC1=C(C=O)C=CC(Cl)=N1 MC432194 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.37 COC1=CC(Br)=CN=C1C=O MC431560 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.37 COC1=CC=C(Br)N=C1C=O CS15316 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.37 COC1=NC=C(Br)N=C1OC CS14846 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.41 O=CC1=C(CCBr)C=CC=C1 MC106620 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.265 COC1=C(C=O)C(Br)=CC=N1 MC441121 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.265 COC1=C(C=O)C(I)=CC=N1 CS13769 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=N1 MC33523 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.156 CC1=CC=NC(C)=C1C(=O)O MC33430 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O CS17097 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O MC442698 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 MC41255 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl CS13204 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.166 CC(=O)C1=CC=C(F)N=C1F CS16677 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl MC111197 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.166 CC(=O)C1=NC=C(F)C=C1F CS15746 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 CS14724 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 CS19398 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.166 CC1=C(C(N)=O)C=CC(Cl)=N1 MC106129 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O CS17552 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS17583 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.166 CC1=CC(F)=CN=C1C(=O)O MC431877 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 CS15178 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)Cl MC106019 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl MC442260 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 MC41256 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F MC425594 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.167 CC(=O)C1=NC(C)=CC=C1C MC111076 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.167 CC(=O)C1=NC(Cl)=CC=C1Cl MC106299 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C CS15957 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 CS15972 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 MC111078 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.167 CC1=CC=C(O)N=C1C(=O)O MC427108 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 MC105730 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.167 NC(=O)C1=NC(Br)=CN=C1O MC106772 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.167 NC(=O)C1=NC(I)=CN=C1N MC114709 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.167 NC1=NC=C(Br)N=C1C(=O)O CS22088 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.167 NC1=NC=C(Cl)N=C1C(=O)O CS12627 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.167 O=C(O)C1=NC(Br)=CN=C1Br MC441246 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br CS16934 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.222 COC(=O)C1=NC=CC=C1Br CS12168 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.222 COC(=O)C1=NC=CC=C1F CS19566 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.222 COC(=O)C1=NC=CC=C1I MC431997 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.222 COC(=O)C1=NC=CC=C1N CS22111 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.222 COC(=O)C1=NC=CN=C1Br CS12415 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.222 COC(=O)C1=NC=CN=C1Cl CS18208 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.222 COC(=O)C1=NC=CN=C1I MC103283 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.222 COC(=O)C1=NC=CN=C1N CS21912 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.222 COC(=O)C1=NC=CN=C1O CS11607 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.222 NNC(=O)C1=NC=CN=C1N MC425577 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 CS13358 [0,1,0,0,1,0|2,0,0]=4 255 B11R1.59 CCC1=NNC=C1C(=O)OC CS17959 [0,1,0,0,1,0|1,0,0]=3 256 B13R1.141 CCOC1=NC=C(Cl)C=C1C(=O)O MC41605 [0,2,0,0,0,0|2,0,0]=4 257 B13R1.2209 COC(=O)C1=C(OC)N=CC(Br)=C1 MC427124 [0,2,0,0,0,0|2,0,0]=4 258 B13R1.2209 COC(=O)C1=NC(Br)=CC=C1OC CS16606 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 MC443786 [0,2,0,0,0,0|2,0,0]=4 260 B13R1.2065 COC(=O)C1=C(OC)N=C(Cl)C=C1 CS14551 [0,2,0,0,0,0|2,0,0]=4 261 B13R1.349 O=C(O)C1=NC=CN=C1C(F)(F)F MC430390 [0,2,0,0,0,0|2,0,0]=4 262 B13R1.382 COC(=O)C1=C(CCBr)C=CC=C1 MC425520 [0,2,0,0,0,0|2,0,0]=4 263 B13R1.382 COC(=O)c1ccccc1CCN MC433578 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.464 CCOC(=O)C1=C(CCl)N=CC=C1 MC429152 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.464 CCOC(=O)C1=NC=CC=C1CBr MC106059 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.572 O=C(O)C1=NC=CC=C1OCCO MC114584 [0,2,0,0,0,0|2,0,0]=4 267 B11R2.1 CC1=NNC2=NC=CN=C12 MC442345 [1,0,0,1,0,0|2,0,0]=4 268 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,1,0,0|2,0,0]=4 269 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [1,0,0,1,0,0|1,0,0]=3 270 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [1,0,0,1,0,0|1,0,0]=3 271 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [1,0,0,1,0,0|2,0,0]=4 272 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [1,0,0,1,0,0|2,0,0]=4 274 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [1,0,0,1,0,0|1,0,1]=4 275 B11R2.20 C1=CN=C2NCCCC2=C1 CS20465 [1,0,0,1,0,0|2,0,0]=4 276 B11R2.20 C1=NC2=C(CCCC2)N=C1 CS14173 [1,0,0,1,0,0|0,0,1]=3 277 B11R2.106 O=C1CCCN2N=CC=C12 MC443656 [0,0,0,1,1,0|1,0,0]=3 278 B11R2.106 O=C1COCC2=C1C=CN2 MC104839 [0,0,0,1,1,0|1,0,1]=4 279 B13R2.72 CC(=O)C1=CNC2=NC=CN=C12 MC102664 [0,0,0,1,0,1|1,0,1]=4 280 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,0,1,0,1|2,0,0]=4 281 B13R2.162 CC1=CC=C2CCCC(=O)C2=C1 MC441069 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.162 NC1=CC=C2CCCC(=O)C2=C1 MC425786 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.162 O=C1CCCC2=CC=C(Br)C=C12 CS11321 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.162 O=C1CCCC2=CC=C(Cl)C=C12 MC425779 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.162 O=C1CCCC2=CC=C(F)C=C12 MC445729 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.162 O=C1CCCC2=CC=C(I)C=C12 MC442211 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.162 O=C1CCCC2=CC=C(O)C=C12 MC441070 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.162 O=C1CCOC2=NC=C(Br)C=C12 MC442311 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.5187 CC1CC(=O)C2=CC=C(F)C=C21 MC446744 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.5179 CC1=CC=C2C(=O)CCCC2=C1 CS10733 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.5179 NC1=CC=C2C(=O)CCCC2=C1 MC441180 [0,1,0,1,0,0|2,0,0]=4 292 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=N2 MC430372 [0,1,0,1,0,0|1,0,0]=3 293 B13R2.5179 O=C1CCCC2=CC(Br)=CC=C12 MC10362 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.5179 O=C1CCCC2=CC(Cl)=CC=C12 CS18199 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.5179 O=C1CCCC2=CC(F)=CC=C12 CS15679 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 MC102515 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.371 O=C1CCC(=O)C2=C1C=CC=N2 MC41775 [0,1,0,1,0,0|1,0,1]=4 298 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 MC20683 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 CS11086 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.342 CC1=C2CCCC(=O)C2=CC=C1 MC441068 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.342 O=C1CCCC2=C(F)C=CC=C12 CS19426 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.342 O=C1CCCC2=C(O)C=CC=C12 MC41791 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.14 CCN1C=CN=C1C=O CS13816 [1,0,0,0,1,0|1,0,0]=3 304 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [1,0,0,0,1,0|1,0,0]=3 305 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [1,0,0,0,1,0|2,0,0]=4 306 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [1,0,0,0,1,0|2,0,0]=4 307 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [1,0,0,0,1,0|2,0,0]=4 308 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [1,0,0,0,1,0|2,0,0]=4 309 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [1,0,0,0,1,0|2,0,0]=4 310 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [1,0,0,0,1,0|2,0,0]=4 311 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [1,0,0,0,1,0|2,0,0]=4 312 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [1,0,0,0,1,0|1,0,1]=4 313 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [1,0,0,0,1,0|2,0,0]=4 314 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [1,0,0,0,1,0|2,0,0]=4 315 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [1,0,0,0,1,0|2,0,0]=4 316 B9R1.41 CC1=NNC=C1C(=O)O CS18295 [1,0,0,0,1,0|2,0,0]=4 317 B9R1.41 CC1=NOC=C1C(=O)O CS18046 [1,0,0,0,1,0|2,0,0]=4 318 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [1,0,0,0,1,0|2,0,0]=4 319 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [1,0,0,0,1,0|2,0,0]=4