0 B11R1.280 CCC1=CC(C=O)=C(O)C=C1 7392AB [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 COC1=CC(CO)=CC=C1Br Z0261 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.280 COC1=CC(OC)=C(S)C=C1 6358AD [0,0,0,0,0,0|2,1,0]=3 3 B11R1.280 COC1=CC=C(F)C(SC)=C1 Z0870 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.280 COC1=CC=C(N)C(OC)=N1 W5095 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 4410AA [0,0,0,0,0,0|3,0,0]=3 6 B11R1.280 N#CC1=CC(C#N)=C(O)C=C1 4068AB [0,0,0,0,0,0|3,0,1]=4 7 B11R1.280 N#CC1=CC(C=O)=CC=C1N 7768AD [0,0,0,0,0,0|3,0,0]=3 8 B10R1.30 CNC1=CC(Cl)=CC=C1Br Z8005 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.30 CNC1=CC(Cl)=CC=C1C Z7997 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.30 CNC1=CC(Cl)=CC=C1Cl Z8087 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.30 CNC1=CC(F)=CC=C1Br Z8164 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.30 COC1=C(Br)N=CC(N)=C1 Y3279 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.30 COC1=C(Cl)N=CC(N)=C1 W8292 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.30 COC1=CC(=O)C=CC1=O 2859AB [1,0,0,0,0,0|0,0,1]=2 15 B10R1.30 COC1=CC(Br)=CN=C1Br Z7504 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.30 COC1=CC(Br)=CN=C1C 2479AA [1,0,0,0,0,0|3,0,0]=4 17 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.30 COC1=CC(C)=NC=C1Br 4514AC [1,0,0,0,0,0|2,0,1]=4 19 B10R1.30 COC1=CC(Cl)=CN=C1Cl 1163AD [1,0,0,0,0,0|3,0,0]=4 20 B10R1.30 COC1=CC(Cl)=CN=C1N Z8751 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 COC1=CC(F)=CC=C1C Z1199 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.30 COC1=CC(F)=CC=C1F F188 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.30 COC1=CC(F)=CC=C1I Z0604 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.30 COC1=CC(I)=CC=C1N V5279 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.30 COC1=CC(N)=CC=C1F V4508 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.30 COC1=NC(Br)=CN=C1O Y5646 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.30 CSC1=CC(Br)=CC=C1Br Z0117 [1,0,0,0,0,0|2,1,0]=4 28 B10R1.30 CSC1=CC(Br)=CC=C1C Z0186 [1,0,0,0,0,0|2,1,0]=4 29 B10R1.30 CSC1=CC(Br)=CC=C1F Z0154 [1,0,0,0,0,0|2,1,0]=4 30 B10R1.30 CSC1=CC(C)=CC=C1Br Z0188 [1,0,0,0,0,0|1,1,1]=4 31 B10R1.30 NCC1=C(O)C=CC(N)=C1 2407AC [1,0,0,0,0,0|3,0,0]=4 32 B10R1.30 NCC1=CC(Cl)=CC=C1O 5223AB [1,0,0,0,0,0|3,0,0]=4 33 B10R1.172 C=CC1=CC=CC(C=O)=C1 0260AB [1,0,0,0,0,0|1,0,1]=3 34 B10R1.172 C=CC1=NC=CC(OC)=C1 3214AB [1,0,0,0,0,0|2,0,0]=3 35 B10R1.172 CCC1=CC=CC(CC)=C1 9285AJ [1,0,0,0,0,0|2,0,1]=4 36 B10R1.172 CCC1=CC=CC(NN)=C1 8644AH [1,0,0,0,0,0|3,0,0]=4 37 B10R1.172 CCC1=NC(C=O)=CC=N1 5047AH [1,0,0,0,0,0|3,0,0]=4 38 B10R1.172 CNC1=CC=CC(NC)=C1 4379AJ [1,0,0,0,0,0|3,0,0]=4 39 B10R1.172 CNC1=CC=CC(OC)=C1 V4822 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.172 COC1=CC(CCl)=NC=C1 6991AC [1,0,0,0,0,0|2,0,1]=4 41 B10R1.172 COC1=CC(CN)=CC=N1 7458AA [1,0,0,0,0,0|2,0,1]=4 42 B10R1.172 COC1=NC=CC(CCl)=C1 0006AB [1,0,0,0,0,0|2,0,1]=4 43 B10R1.172 COC1=NC=CC(SC)=C1 Z0163 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.172 CSC1=CC=CC(C=O)=C1 5233AH [1,0,0,0,0,0|0,1,0]=2 45 B10R1.172 N#CC1=CC=CC(C=O)=N1 3173AC [1,0,0,0,0,0|3,0,0]=4 46 B10R1.172 N#CC1=CC=NC(C=O)=C1 2671AA [1,0,0,0,0,0|3,0,0]=4 47 B10R1.172 O=CC1=CC=CC(CF)=N1 0646AB [1,0,0,0,0,0|3,0,0]=4 48 B10R1.176 CC1=C(Cl)C=CC(NN)=C1 8757AH [1,0,0,0,0,0|3,0,0]=4 49 B10R1.176 CC1=C(O)C=CC(CO)=C1 9583AA [1,0,0,0,0,0|0,0,2]=3 50 B10R1.176 CC1=C(O)C=CC(CO)=N1 6598AB [1,0,0,0,0,0|1,0,2]=4 51 B10R1.176 CC1=CC(C=O)=CN=C1Br Z0993 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.176 CC1=CC(CN)=CC=C1Br W3251 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.176 CC1=CC(CO)=CC=C1N 2117AF [1,0,0,0,0,0|1,0,2]=4 54 B10R1.176 CC1=CC(NN)=CC=C1Br 4294AH [1,0,0,0,0,0|3,0,0]=4 55 B10R1.176 CC1=CC(NN)=CC=C1Cl 8758AH [1,0,0,0,0,0|3,0,0]=4 56 B10R1.176 CC1=CC=C(C=O)C=C1O Z0696 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.176 CC1=NC(C=O)=CC=C1Br Z0161 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.176 CC1=NC(C=O)=CC=C1F 4137AC [1,0,0,0,0,0|2,0,0]=3 59 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [1,0,0,0,0,0|2,0,1]=4 60 B10R1.176 COC1=CC=C(N)C(C)=C1 Z9736 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.176 CSC1=CC=C(Br)C(C)=C1 Z1061 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.176 N#CC1=CC=C(Br)C(O)=C1 6118AJ [1,0,0,0,0,0|2,0,1]=4 63 B10R1.176 N#CC1=CC=C(N)C(O)=C1 Z4880 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.176 N#CC1=CC=C(O)C(N)=C1 Y7551 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 8633AE [1,0,0,0,0,0|3,0,0]=4 66 B10R1.176 O=CC1=CC=C(F)C(I)=C1 W4645 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.176 O=CC1=CC=C(I)C(F)=C1 X8505 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.176 O=CC1=CC=C(O)C(I)=C1 X5653 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.176 OCC1=CC(O)=C(I)C=C1 2103AC [1,0,0,0,0,0|1,0,2]=4 70 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 2271AJ [0,1,0,0,0,0|2,0,1]=4 71 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 3962AB [0,1,0,0,0,0|3,0,0]=4 72 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 5888AJ [0,1,0,0,0,0|3,0,0]=4 73 B12R1.56 CC1=CC=C(C(=O)O)C=C1NN V6890 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.56 COC1=C(Br)C=CC(B(O)O)=C1 X1809 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.56 COC1=CC(=C(N)N)C=CC1=O 8532AC [0,1,0,0,0,0|1,0,1]=3 76 B12R1.56 COC1=CC(C(N)=O)=CC=C1Br V3839 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9126 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9637 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1[O-] X4407 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.56 N#CC1=CC([N+](=O)[O-])=CC=C1O 5245AB [0,1,0,0,0,0|3,0,0]=4 81 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 1099AQ [0,1,0,0,0,0|2,0,0]=3 82 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3452AA [0,1,0,0,0,0|3,0,0]=4 83 B12R1.78 CCC1=CC=C(OC)C(OC)=C1 Z4915 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.78 COC1=C(CO)C=C(C=O)C=C1 9440AE [0,1,0,0,0,0|2,0,0]=3 85 B12R1.78 COC1=C(OC)N=C(CO)C=C1 6314AE [0,1,0,0,0,0|1,0,2]=4 86 B12R1.78 COC1=C(OC)N=CC(CO)=C1 9116AC [0,1,0,0,0,0|1,0,2]=4 87 B12R1.78 COC1=C(SC)C=CC(C=O)=C1 2317AJ [0,1,0,0,0,0|0,1,0]=2 88 B12R1.78 COC1=CC(C#N)=CN=C1OC Z7347 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.78 COC1=CC(C=O)=CC=C1C#N Z0386 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.78 COC1=CC(C=O)=CN=C1OC Y6600 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.286 CCOC1=CC(OC)=C(Br)C=C1 V9661 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.286 COC1=CC(CC#N)=CC=C1Cl 6563AA [0,1,0,0,0,0|2,0,1]=4 93 B12R1.286 COC1=CC(CCO)=CC=C1O W4745 [0,1,0,0,0,0|0,0,2]=3 94 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 2753AC [0,1,0,0,0,0|3,0,0]=4 95 B12R1.300 COC1=CC(OC)=C(Br)C(C)=C1 0452AQ [0,1,0,0,0,0|3,0,0]=4 96 B12R1.449 COC1=C(Br)C=C(O)C(C=O)=C1 6112AJ [0,1,0,0,0,0|1,0,0]=2 97 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 6127AD [0,1,0,0,0,0|0,0,0]=1 98 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br 1943AB [0,1,0,0,0,0|3,0,0]=4 99 B12R1.449 COC1=CC(OC)=C(N)C=C1F 6577AD [0,1,0,0,0,0|3,0,0]=4 100 B12R1.453 CC1=CC=C(C=O)C=C1B(O)O Y3770 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.453 NC1=C([N+](=O)[O-])C=C(C=O)C=C1 7264AB [0,1,0,0,0,0|3,0,0]=4 102 B12R1.654 COC1=CC=C(N)C(OC)=C1F Z0328 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.44 NCC1=CC=C2OCCC2=C1 Y9460 [0,0,0,1,0,0|2,0,1]=4 104 B12R2.44 O=CC1=CC2=C(C=C1)SN=N2 5154AB [0,0,0,1,0,0|2,1,0]=4 105 B12R2.44 O=CC1=CC=C2N=COC2=C1 3572AC [0,0,0,1,0,0|1,0,1]=3 106 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [2,0,0,0,0,0|1,0,0]=3 107 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [2,0,0,0,0,0|2,0,0]=4 108 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [2,0,0,0,0,0|2,0,0]=4 109 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [2,0,0,0,0,0|1,0,0]=3 110 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [2,0,0,0,0,0|2,0,0]=4 111 B9R1.2 COC1=CC(=O)NN=C1 X9569 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.2 COC1=CC(C)=CN=C1 2251AC [2,0,0,0,0,0|1,0,1]=4 113 B9R1.2 COC1=CN=CC(F)=C1 Y3600 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.2 COC1=CN=CC(I)=C1 1202AF [2,0,0,0,0,0|2,0,0]=4 115 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [2,0,0,0,0,0|2,0,0]=4 116 B9R1.2 COC1=C[N+]([O-])=CC=C1 7428AA [2,0,0,0,0,0|1,0,1]=4 117 B9R1.2 COC1=NC(=O)C=CN1 W4926 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.2 CSC1=CC=CC(O)=C1 1026AE [2,0,0,0,0,0|0,1,1]=4 119 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [2,0,0,0,0,0|1,0,0]=3 120 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [2,0,0,0,0,0|2,0,0]=4 121 B9R1.2 O=CC1=CC(F)=NC=C1 X9807 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [2,0,0,0,0,0|2,0,0]=4 123 B9R1.2 O=CC1=CC=CC(=O)N1 4493AB [2,0,0,0,0,0|1,0,1]=4 124 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [2,0,0,0,0,0|1,0,1]=4 126 B9R1.15 CCC1=CC=CC=C1C Z4941 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.15 CNC1=CC=CC=C1Br 0544AC [2,0,0,0,0,0|2,0,0]=4 128 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.15 COC1=C(Cl)C=NC=C1 3447AC [2,0,0,0,0,0|2,0,0]=4 130 B9R1.15 COC1=C(O)C=NC=C1 7687AA [2,0,0,0,0,0|1,0,0]=3 131 B9R1.15 COC1=C(O)N=CN=C1 Y4974 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.15 COC1=CC=CN=C1I Y4758 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.15 COC1=CN=CC=C1O 9525AB [2,0,0,0,0,0|1,0,0]=3 134 B9R1.15 COC1=CN=CN=C1O 1033AC [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 COC1=NC=CC=C1F Z7565 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.69 CC1=C(S)C=CC(F)=C1 0479AF [2,0,0,0,0,0|1,1,0]=4 137 B9R1.69 CC1=CC(C)=NC=C1O 8941AD [2,0,0,0,0,0|1,0,1]=4 138 B9R1.69 CC1=CC(Cl)=NC=C1O Y3887 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.69 CC1=CC(F)=NC=C1O Y3896 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.69 CC1=CC(N)=CC=C1N 7752AF [2,0,0,0,0,0|2,0,0]=4 141 B9R1.69 CC1=CC(S)=CC=C1F X8388 [2,0,0,0,0,0|1,1,0]=4 142 B9R1.69 CC1=CC=C(N)C(C)=C1 5318AL [2,0,0,0,0,0|1,0,1]=4 143 B9R1.69 CC1=NC(F)=CC=C1O Y3898 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.69 NC1=C(O)C=CC(O)=C1 0619AB [2,0,0,0,0,0|1,0,1]=4 145 B9R1.69 NC1=CC=C(F)C(O)=C1 0161AA [2,0,0,0,0,0|2,0,0]=4 146 B9R1.69 NC1=CC=C(O)C(I)=C1 4851AC [2,0,0,0,0,0|2,0,0]=4 147 B9R1.69 OC1=CC(F)=CC=C1I 3213AJ [2,0,0,0,0,0|2,0,0]=4 148 B9R1.69 OC1=CC=C(O)C(F)=C1 V2384 [2,0,0,0,0,0|1,0,1]=4 149 B9R1.1 O=CC1=CC=[N+]([O-])C=C1 0867AQ [2,0,0,0,0,0|1,0,1]=4 150 B11R1.8 COC1=C(N)C(Cl)=CC(Cl)=C1 6000AC [1,1,0,0,0,0|2,0,0]=4 151 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 0959AF [1,1,0,0,0,0|1,0,0]=3 152 B11R1.8 COC1=CC(Br)=CC(C)=C1N 4240AB [1,1,0,0,0,0|2,0,0]=4 153 B11R1.8 COC1=CC(Br)=CC(F)=C1I Z0172 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.37 CNC1=CC=C(F)C=C1OC V9346 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.37 CNC1=CC=C(F)C=C1OC Z8366 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.37 COC1=C(CO)C=NC(Cl)=C1 3373AD [1,1,0,0,0,0|2,0,0]=4 157 B11R1.37 COC1=C(CO)N=CC(Br)=C1 8548AC [1,1,0,0,0,0|2,0,0]=4 158 B11R1.37 COC1=C(OC)N=C(C)C=C1 0928AF [1,1,0,0,0,0|1,0,1]=4 159 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 8546AC [1,1,0,0,0,0|2,0,0]=4 160 B11R1.37 COC1=CC(Cl)=CN=C1OC V4905 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.37 COC1=CC(F)=CC=C1CN Z5227 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.37 COC1=CC(F)=CC=C1SC Y3748 [1,1,0,0,0,0|1,1,0]=4 163 B11R1.37 COC1=CC=C(S)C=C1OC U133 [1,1,0,0,0,0|0,1,0]=3 164 B11R1.72 COC1=C(Br)C(C)=CC=C1F Y3881 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.72 COC1=C(Cl)C(Br)=CC=C1Cl Z0268 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.72 COC1=C(F)C(C)=CC=C1Cl 8641AD [1,1,0,0,0,0|1,0,1]=4 167 B11R1.72 COC1=C(F)C(F)=CC=C1N Z7494 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.167 CC(C)C1=CC(Br)=CC=C1O Z0453 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.182 CCOC1=C(N)C=CC(C)=C1 7919AD [1,1,0,0,0,0|1,0,1]=4 170 B11R1.182 CCOC1=C(N)C=CC(F)=C1 5982AD [1,1,0,0,0,0|2,0,0]=4 171 B11R1.182 CCOC1=CC(Br)=CC=C1C Z0931 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.182 CCOC1=CC(F)=CC=C1N V8042 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.182 CCOC1=CC(N)=CC=C1Cl V8087 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.182 CNCC1=CC(F)=CC=C1O 6161AJ [1,1,0,0,0,0|2,0,0]=4 175 B11R1.277 COC1=C(Br)C=C(N)C(N)=C1 1698AA [1,1,0,0,0,0|2,0,0]=4 176 B11R1.277 COC1=C(Cl)C=C(Cl)C(Cl)=C1 V6898 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.277 COC1=C(Cl)C=C(N)C(C)=C1 V6955 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.277 COC1=C(N)C=C(F)C(F)=C1 2573AJ [1,1,0,0,0,0|2,0,0]=4 179 B11R1.277 COC1=CC(C)=C(Br)C=C1Cl V3886 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.277 COC1=CC(C)=C(Cl)C=C1N V6683 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.277 COC1=CC(Cl)=C(Br)C=C1N Z6508 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.277 COC1=CC(F)=C(Br)C=C1Cl V8886 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.277 COC1=CC(F)=C(Cl)C=C1Br V9492 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.277 COC1=CC(F)=C(F)C=C1O Z0426 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.277 COC1=CC(N)=C(F)C=C1F 6897AC [1,1,0,0,0,0|2,0,0]=4 186 B11R1.277 COC1=CC(N)=C(N)C=C1Br 1019AB [1,1,0,0,0,0|2,0,0]=4 187 B11R1.277 COC1=CC(N)=C(N)C=C1Br 1897AA [1,1,0,0,0,0|2,0,0]=4 188 B11R1.9 COC1=CC(Br)=CC(CO)=C1 V4773 [1,1,0,0,0,0|0,0,2]=4 189 B11R1.9 COC1=CC(C)=CC(C#N)=C1 6455AB [1,1,0,0,0,0|1,0,1]=4 190 B11R1.9 COC1=CC(CN)=CC(F)=C1 5883AJ [1,1,0,0,0,0|1,0,1]=4 191 B11R1.9 COC1=CC(CO)=CC(Cl)=C1 9885AL [1,1,0,0,0,0|0,0,2]=4 192 B11R1.9 COC1=CC(Cl)=CC(CCl)=C1 9785AH [1,1,0,0,0,0|1,0,1]=4 193 B11R1.9 N#CC1=CC(Br)=CC(C=O)=C1 9880AB [1,1,0,0,0,0|2,0,0]=4 194 B11R1.189 COC1=CC=CC(CNN)=C1 3225AC [1,1,0,0,0,0|1,0,1]=4 195 B11R1.189 COC1=CN=CC(\C=N\O)=C1 8547AC [1,1,0,0,0,0|1,0,1]=4 196 B11R1.189 COCC1=CC(CN)=CC=C1 7382AA [1,1,0,0,0,0|1,0,1]=4 197 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 6794AA [1,1,0,0,0,0|1,0,1]=4 198 B11R1.266 C#CC1=CC=CC(C(N)=O)=C1 8729AB [1,1,0,0,0,0|1,0,1]=4 199 B11R1.266 CC(=O)C1=CC=CC(CCl)=C1 W6202 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.266 CCC1=CC(C(C)=O)=CC=C1 1395AB [1,1,0,0,0,0|1,0,0]=3 201 B11R1.266 CCC1=CC=CC(C(N)=O)=N1 2254AC [1,1,0,0,0,0|2,0,0]=4 202 B11R1.266 CCC1=NC(C(=O)O)=CC=C1 6504AB [1,1,0,0,0,0|2,0,0]=4 203 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 0646AE [1,1,0,0,0,0|2,0,0]=4 204 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 3929AC [1,1,0,0,0,0|2,0,0]=4 205 B11R1.266 COC1=CC([N+](=O)[O-])=CN=C1 5408AA [1,1,0,0,0,0|2,0,0]=4 206 B11R1.266 COC1=CC=CC([N+](=O)[O-])=C1 F824 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.266 COC1=CN=CC(C(C)=O)=C1 X7999 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.266 COC1=NC=CC(C(N)=O)=C1 Z6815 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.266 COC1=NC=CC(C(N)=S)=C1 3499AF [1,1,0,0,0,0|1,1,0]=4 210 B11R1.266 O=C(Br)C1=CC=CC(CBr)=C1 7128AD [1,1,0,0,0,0|2,0,0]=4 211 B11R1.266 O=CC1=CC(C(F)F)=CC=C1 3965AF [1,1,0,0,0,0|2,0,0]=4 212 B11R1.267 COC1=CC=CC(CN)=C1O 4232AD [1,1,0,0,0,0|1,0,1]=4 213 B11R1.267 COC1=CC=CC(CO)=C1C 0657AE [1,1,0,0,0,0|0,0,2]=4 214 B11R1.267 COC1=NC=CC(C=O)=C1Cl Z0994 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.267 N#CC1=CC=CC(C=O)=C1F Y1516 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.14 CC1=C(O)C(Cl)=CC(C#N)=C1 5609AD [1,1,0,0,0,0|1,0,1]=4 217 B11R1.14 CC1=CC(C=O)=CC(C)=C1F 2722AL [1,1,0,0,0,0|1,0,0]=3 218 B11R1.14 CC1=CC(C=O)=CC(F)=C1F 0458AA [1,1,0,0,0,0|1,0,0]=3 219 B11R1.14 NC1=C(Cl)C=C(C=O)C=C1Cl 9531AB [1,1,0,0,0,0|2,0,0]=4 220 B11R1.14 O=CC1=CC(I)=C(I)C(I)=C1 1679AA [1,1,0,0,0,0|2,0,0]=4 221 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 X7016 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.21 CC(=O)C1=CC(I)=C(O)C=C1 1108AQ [1,1,0,0,0,0|1,0,0]=3 223 B11R1.21 CC(=O)C1=CC(N)=C(Br)C=C1 1073AQ [1,1,0,0,0,0|2,0,0]=4 224 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 8759AA [1,1,0,0,0,0|2,0,0]=4 225 B11R1.21 CC(=O)C1=CC=C(C)C(O)=C1 W5512 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 2091AJ [1,1,0,0,0,0|1,1,0]=4 227 B11R1.21 CC1=C(Cl)N=CC(C(N)=O)=C1 7444AE [1,1,0,0,0,0|2,0,0]=4 228 B11R1.21 CC1=CC(C(=O)O)=CNC1=O 0272AC [1,1,0,0,0,0|1,0,1]=4 229 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 5252AH [1,1,0,0,0,0|2,0,0]=4 230 B11R1.21 CC1=CC=C(C(=O)O)N=C1C 2856AC [1,1,0,0,0,0|2,0,0]=4 231 B11R1.21 CC1=NC(C(N)=O)=CC=C1Br Y3916 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 6127AC [1,1,0,0,0,0|2,0,0]=4 233 B11R1.21 NC(=O)C1=CC(O)=C(O)C=C1 9447AJ [1,1,0,0,0,0|0,0,0]=2 234 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 Z8676 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 V7781 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.21 NC(=O)C1=CC=C(Cl)C(Cl)=C1 8805AD [1,1,0,0,0,0|2,0,0]=4 237 B11R1.21 NC(=O)C1=CC=C(N)C(N)=C1 8382AE [1,1,0,0,0,0|2,0,0]=4 238 B11R1.21 NC1=CC(C(=O)O)=CC=C1F V5597 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.21 NC1=CC(C(=O)O)=CC=C1O D461 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 0899AQ [1,1,0,0,0,0|1,0,1]=4 241 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 X6546 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.21 O=C([O-])C1=CC=C(F)C(F)=C1 3820AL [1,1,0,0,0,0|2,0,0]=4 243 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 W2121 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.192 CC1=CC(N=C=O)=CC=C1Br 5048AD [1,1,0,0,0,0|1,0,1]=4 245 B11R1.192 O=CCC1=CC=C(Cl)C(Cl)=C1 W9614 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.278 CC1=C(C)C(C=O)=CC=C1Br Y3666 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.278 CC1=C(C)C(C=O)=CC=C1F V5506 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.278 CC1=C(Cl)C(Br)=CC=C1C=O Y3871 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.278 CC1=C(F)C(C)=C(C=O)C=C1 Y1414 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.278 O=CC1=C(F)C(Cl)=C(Br)C=C1 Y1515 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.278 O=CC1=CC=C(F)C(F)=C1Cl Z4054 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.278 O=CC1=CC=C(O)C(Cl)=C1Cl 8605AA [1,1,0,0,0,0|1,0,0]=3 253 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 3741AB [1,1,0,0,0,0|2,0,0]=4 254 B11R1.279 COC1=NC=C(C=O)C=C1Br Z0761 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.279 COC1=NC=C(C=O)C=C1C Y3925 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.279 COC1=NC=C(C=O)C=C1F Z5255 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.279 CSC1=C(C)C=C(C=O)C=N1 Z0025 [1,1,0,0,0,0|1,1,0]=4 258 B11R1.279 N#CC1=CC=C(C=O)C=C1Br 5479AJ [1,1,0,0,0,0|2,0,0]=4 259 B13R1.13 CC(C)C1=C(O)C=CC([N+](=O)[O-])=C1 9023AB [0,2,0,0,0,0|2,0,0]=4 260 B13R1.49 CNC(=O)C1=CC=C(Br)C(OC)=C1 Z6944 [0,2,0,0,0,0|1,0,0]=3 261 B13R1.49 COC(=O)C1=CC=C(Br)C(OC)=C1 W3727 [0,2,0,0,0,0|1,0,0]=3 262 B13R1.49 COC1=CC(C(=O)CBr)=CC=C1O 8316AE [0,2,0,0,0,0|0,0,0]=2 263 B13R1.298 COC1=C(Cl)C(Br)=CC([N+](=O)[O-])=C1 Y5926 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.298 COC1=C(O)C(Cl)=CC(B(O)O)=C1 V9152 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.354 CCCC1=CC(C(=O)O)=CC=C1F W6334 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.354 CCOC1=C(O)C=CC(C(=O)O)=C1 5314AE [0,2,0,0,0,0|0,0,0]=2 267 B13R1.354 CCOC1=CC([N+](=O)[O-])=CC=C1F Z7261 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.651 COC1=C(C)C=C(F)C(C(=O)O)=C1 Z1818 [0,2,0,0,0,0|1,0,0]=3 269 B13R1.651 COC1=C(F)C=C(N)C(C(=O)O)=C1 V7049 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.651 COC1=CC([N+](=O)[O-])=C(C)C=C1Cl Z4959 [0,2,0,0,0,0|2,0,0]=4 271 B13R1.651 COC1=CC([N+](=O)[O-])=C(F)C=C1F 5985AD [0,2,0,0,0,0|2,0,0]=4 272 B13R1.651 COC1=CC([N+](=O)[O-])=C(N)C=C1C 8141AB [0,2,0,0,0,0|2,0,0]=4 273 B13R1.651 COC1=CC([N+](=O)[O-])=C(N)C=C1Cl 5099AD [0,2,0,0,0,0|2,0,0]=4 274 B13R1.3091 COC1=C(OC)C=C(C(C)O)C=C1 4922AJ [0,2,0,0,0,0|0,0,2]=4 275 B13R1.3091 COC1=CC(C(=O)O)=CC=C1CBr 2516AJ [0,2,0,0,0,0|1,0,0]=3 276 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC V7667 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.3091 COC1=CC=C(C(=N)N)C=C1OC 2087AJ [0,2,0,0,0,0|1,0,0]=3 278 B13R1.3091 COC1=CC=C(C(C)=O)N=C1OC 0878AD [0,2,0,0,0,0|1,0,0]=3 279 B13R1.99 COC1=CC(C=O)=CC=C1[N+](=O)[O-] 2531AC [0,2,0,0,0,0|0,0,1]=3 280 B13R1.355 C=CCC1=CC(C=O)=CC=C1OC 5280AH [0,2,0,0,0,0|1,0,1]=4 281 B13R1.355 CCOC1=C(OC)C=CC(CN)=C1 8483AC [0,2,0,0,0,0|1,0,1]=4 282 B13R1.355 CCOC1=CC(CO)=CC=C1OC X6441 [0,2,0,0,0,0|0,0,2]=4 283 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 9439AE [0,2,0,0,0,0|0,0,0]=2 284 B13R1.386 C=CCC1=NC(OC)=C(OC)C=C1 8545AC [0,2,0,0,0,0|2,0,0]=4 285 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 7168AE [0,2,0,0,0,0|1,0,1]=4 286 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 5903AL [0,2,0,0,0,0|0,1,1]=4 287 B13R1.386 COC1=C(OC)N=CC(\C=N\O)=C1 9118AC [0,2,0,0,0,0|1,0,1]=4 288 B13R1.434 COC1=C(OC)C(Br)=CC(C#N)=C1 2383AL [0,2,0,0,0,0|1,0,1]=4 289 B13R1.434 COC1=C(OC)C(Cl)=CC(C#N)=C1 1095AQ [0,2,0,0,0,0|1,0,1]=4 290 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 3634AF [0,2,0,0,0,0|1,0,1]=4 291 B13R1.2200 COC1=C(OC)C=C(C#N)C(Br)=C1 2014AL [0,2,0,0,0,0|1,0,1]=4 292 B13R1.2200 COC1=CC(N)=C(OC)C=C1OC 2378AB [0,2,0,0,0,0|2,0,0]=4 293 B13R1.2422 COC1=C(OC)C(Cl)=C(CBr)C=C1 0545AF [0,2,0,0,0,0|1,0,1]=4 294 B13R1.2431 COC(=O)C1=C(C)C=CC(C=O)=C1 9831AL [0,2,0,0,0,0|1,0,0]=3 295 B13R1.2431 COC(=O)C1=CC(C#N)=CC=C1O 2969AC [0,2,0,0,0,0|1,0,1]=4 296 B13R1.2900 CCOC1=C(O)C=C(Br)C(C#N)=C1 2019AL [0,2,0,0,0,0|1,0,1]=4 297 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 6307AB [0,2,0,0,0,0|0,0,1]=3 298 B13R1.433 CCC1=CC(C=O)=CC(CC)=C1O 0746AC [0,2,0,0,0,0|1,0,0]=3 299 B13R1.433 COC1=CC(C#N)=CC(OC)=C1O 8789AE [0,2,0,0,0,0|1,0,1]=4 300 B13R1.433 COC1=CC(OC)=C(O)C(OC)=C1 0518AB [0,2,0,0,0,0|2,0,0]=4 301 B11R1.1 CO\C=C\C1=CC=C(Br)C=C1 8849AB [0,0,1,1,0,0|2,0,0]=4 302 B11R2.36 NC1=CC=C2OCCC2=C1 Z7258 [1,0,0,1,0,0|2,0,0]=4 303 B11R2.36 OC1=CC2=C(C=C1)OCO2 Y0189 [1,0,0,1,0,0|0,0,1]=3 304 B11R2.36 OC1=CC=C2CCOC2=C1 W4735 [1,0,0,1,0,0|1,0,1]=4 305 B11R2.36 OC1=CC=C2OCCC2=C1 X7949 [1,0,0,1,0,0|1,0,1]=4 306 B11R2.190 C=CC1=CC=C2CCC2=C1 6995AC [1,0,0,1,0,0|2,0,0]=4 307 B11R2.190 O=CC1=CC=C2C=CC2=C1 L674 [1,0,0,1,0,0|1,0,1]=4 308 B13R2.430 CC(N)C1=CC=C2OCOC2=C1 1241AD [0,1,0,1,0,0|1,0,1]=4 309 B13R2.430 C[C@@H](N)C1=CC2=C(C=C1)OCO2 8347AH [0,1,0,1,0,0|1,0,1]=4 310 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 8391AH [0,1,0,1,0,0|1,0,1]=4 311 B13R2.430 N=C(N)C1=CC2=C(C=C1)OCO2 9614AH [0,1,0,1,0,0|1,0,0]=3 312 B13R2.430 N=C(N)C1=CC=C2OCOC2=C1 6155AH [0,1,0,1,0,0|1,0,0]=3 313 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 Y9199 [0,1,0,1,0,0|0,0,0]=2 314 B13R2.430 O=C(O)C1=CC=C2CCOC2=C1 Z4578 [0,1,0,1,0,0|1,0,0]=3 315 B13R2.57 BrCC1=CC=C2OCCOC2=C1 Y4108 [0,1,0,1,0,0|1,0,1]=4 316 B13R2.57 NNC1=CC2=C(C=C1)OCCO2 1345AJ [0,1,0,1,0,0|2,0,0]=4 317 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 Y9461 [0,1,0,1,0,0|1,0,0]=3 318 B13R2.57 O=CC1=CC2=C(C=N1)OCCO2 Y3180 [0,1,0,1,0,0|1,0,0]=3 319 B13R2.57 O=CC1=CN=C2OCCCC2=C1 Z8607 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.669 CC1=NOC2=C1C=C(C=O)C=C2 2355AJ [0,1,0,1,0,0|1,0,0]=3 321 B13R2.669 CN1C=NC2=CC=C(C=O)C=C21 W3947 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.2121 CC1=NC2=C(C=C(C=O)C=C2)O1 3531AC [0,1,0,1,0,0|1,0,0]=3 323 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)S1 0310AB [0,1,0,1,0,0|1,1,0]=4 324 B13R2.2121 CC1CC2=C(C=CC(C=O)=C2)O1 5085AH [0,1,0,1,0,0|1,0,0]=3 325 B13R2.449 NNCC1=CC2=C(C=C1)OCO2 4672AE [0,1,0,1,0,0|1,0,1]=4 326 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 6478AE [0,1,0,1,0,0|0,0,2]=4 327 B13R2.599 BrCC1=CC2=C(C=C1Br)OCO2 0638AQ [0,1,0,1,0,0|1,0,1]=4 328 B13R2.599 CC1=C(C=O)C=C2OCOC2=C1 6051AE [0,1,0,1,0,0|0,0,0]=2 329 B13R2.599 COC1=C(Br)C=C2N=CNC2=C1 Z3795 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 1512AA [0,1,0,1,0,0|2,0,0]=4 331 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 3750AA [0,1,0,1,0,0|2,0,0]=4 332 B13R2.599 COC1=CC2=C(C=C1C)NC=C2 3381AB [0,1,0,1,0,0|2,0,0]=4 333 B13R2.599 NCC1=CC2=C(C=C1Cl)OCO2 5619AE [0,1,0,1,0,0|1,0,1]=4 334 B13R2.654 NCC1=CC2=C(OCO2)C(Cl)=C1 0388AQ [0,1,0,1,0,0|1,0,1]=4 335 B13R2.654 O=CC1=CC(Cl)=C2OCOC2=C1 Z3060 [0,1,0,1,0,0|0,0,0]=2 336 B13R2.654 OCC1=CC(Cl)=C2OCOC2=C1 1151AL [0,1,0,1,0,0|0,0,2]=4 337 B9R1.23 CC1=C(C)SC(C=O)=C1 0832AQ [1,0,0,0,1,0|2,0,0]=4 338 B9R1.132 CC1=C(C=O)SC=C1Br V5015 [1,0,0,0,1,0|2,0,0]=4 339 B9R1.132 CC1=CNC(C=O)=C1C 6636AD [1,0,0,0,1,0|2,0,0]=4 340 B11R1.265 COC1=C(C=O)C=CN=C1Br V4043 [0,0,0,0,1,1|1,0,0]=3