0 B10R1.20 CCC1=CC=CC=C1NN 6499AD [0,0,0,0,0,0|3,0,0]=3 1 B10R1.20 CNC1=C(C=O)C=CC=C1 2162AC [0,0,0,0,0,0|2,0,0]=2 2 B10R1.20 CNC1=CC=CC=C1NC 1228AQ [0,0,0,0,0,0|2,0,1]=3 3 B10R1.20 COC1=C(NN)N=CN=C1 Y4993 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.20 COC1=CC=CC=C1CCl X2210 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.20 COC1=CC=CN=C1CN 8861AB [0,0,0,0,0,0|2,0,1]=3 6 B10R1.20 COC1=CC=CN=C1CO 8653AH [0,0,0,0,0,0|2,0,1]=3 7 B10R1.20 COC1=NC=CC=C1CBr 6069AC [0,0,0,0,0,0|2,0,1]=3 8 B10R1.20 COC1=NC=CC=C1CCl 8200AA [0,0,0,0,0,0|2,0,1]=3 9 B10R1.20 COC1=NC=CC=C1CCl Z3937 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.20 N#CC1=C(C=O)C=CC=N1 5885AA [0,0,0,0,0,0|4,0,0]=4 11 B10R1.20 N#CC1=C(C=O)C=CN=C1 1345AA [0,0,0,0,0,0|4,0,0]=4 12 B10R1.20 O=CC1=C(CCl)C=CC=C1 1257AJ [0,0,0,0,0,0|3,0,0]=3 13 B10R1.20 OCC1=C(CBr)C=CC=C1 1625AC [0,0,0,0,0,0|3,0,1]=4 14 B9R1.15 C#CC1=CC=CC=C1Br 1939AC [1,0,0,0,0,0|1,0,2]=4 15 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [1,0,0,0,0,0|0,0,0]=1 16 B9R1.15 C=CC1=CC=CC=C1N 3518AA [1,0,0,0,0,0|1,0,0]=2 17 B9R1.15 C=CC1=CC=CC=[N+]1C 0254AQ [1,0,0,0,0,0|1,0,0]=2 18 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 CC1=C(CN)C=CN=C1 4277AH [1,0,0,0,0,0|2,0,1]=4 20 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.15 CC1=C(NN)C=NC=C1 2421AC [1,0,0,0,0,0|3,0,0]=4 22 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.15 CC1=CC=CN=C1CBr Y9115 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.15 CC1=CC=CN=C1CO 0931AC [1,0,0,0,0,0|2,0,1]=4 25 B9R1.15 CC1=CN=CC=C1CO 4896AB [1,0,0,0,0,0|2,0,1]=4 26 B9R1.15 CC1=NC=CC=C1CCl 8680AB [1,0,0,0,0,0|2,0,1]=4 27 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 CCC1=CC=CC=C1C Z4941 [1,0,0,0,0,0|0,0,2]=3 30 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [1,0,0,0,0,0|3,0,0]=4 31 B9R1.15 CNC1=CC=CC=C1Br 0544AC [1,0,0,0,0,0|2,0,0]=3 32 B9R1.15 CNC1=CC=CN=C1N 8234AB [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 CNC1=NC=CC=C1N 6884AB [1,0,0,0,0,0|3,0,0]=4 34 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 COC1=C(Cl)C=NC=C1 3447AC [1,0,0,0,0,0|2,0,0]=3 36 B9R1.15 COC1=C(O)C=NC=C1 7687AA [1,0,0,0,0,0|2,0,0]=3 37 B9R1.15 COC1=C(O)N=CN=C1 Y4974 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.15 COC1=CC=CN=C1I Y4758 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.15 COC1=CN=CC=C1O 9525AB [1,0,0,0,0,0|2,0,0]=3 40 B9R1.15 COC1=CN=CN=C1O 1033AC [1,0,0,0,0,0|3,0,0]=4 41 B9R1.15 COC1=NC=CC=C1F Z7565 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.15 CSC1=NC=CC=C1Br V6364 [1,0,0,0,0,0|2,1,0]=4 43 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [1,0,0,0,0,0|2,0,1]=4 44 B9R1.15 N#CC1=C(O)C=NC=C1 3723AC [1,0,0,0,0,0|2,0,1]=4 45 B9R1.15 NC1=C(C=O)C=CN=C1 2155AJ [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 NC1=CN=CC=C1C=O 3083AA [1,0,0,0,0,0|3,0,0]=4 47 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [1,0,0,0,0,0|2,0,1]=4 48 B9R1.15 NCC1=CC=CC=C1N W5201 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.15 NNC1=CC=CC=C1I W6607 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 O=CC1=C(Br)C=CN=C1 Y5203 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 O=CC1=CN=CC=C1Br W3357 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.15 O=CC1=CN=CC=C1O Z1966 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.15 OCC1=C(O)C=NC=C1 X7917 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.37 C=CC1=CC(C)=CN=C1OC 2595AD [0,1,0,0,0,0|1,0,0]=2 55 B11R1.37 CCC1=CC(Br)=CC=C1C=O Y3665 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.37 CNC1=CC=C(Cl)C=C1CO V9502 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.37 CNC1=CC=C(F)C=C1OC V9346 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.37 CNC1=CC=C(F)C=C1OC Z8366 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.37 COC1=C(C#N)C=C(I)C=C1 1160AQ [0,1,0,0,0,0|1,0,1]=3 60 B11R1.37 COC1=C(C#N)C=CC(C)=N1 1765AJ [0,1,0,0,0,0|2,0,1]=4 61 B11R1.37 COC1=C(C#N)C=NC(Cl)=C1 3084AA [0,1,0,0,0,0|2,0,1]=4 62 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 9514AA [0,1,0,0,0,0|1,0,1]=3 63 B11R1.37 COC1=C(CN)C=C(N)C=C1 0651AA [0,1,0,0,0,0|1,0,1]=3 64 B11R1.37 COC1=C(CO)C=C(F)C=N1 3863AC [0,1,0,0,0,0|2,0,1]=4 65 B11R1.37 COC1=C(CO)C=NC(Cl)=C1 3373AD [0,1,0,0,0,0|2,0,1]=4 66 B11R1.37 COC1=C(CO)N=CC(Br)=C1 8548AC [0,1,0,0,0,0|2,0,1]=4 67 B11R1.37 COC1=C(NN)C=C(Cl)C=C1 0393AB [0,1,0,0,0,0|2,0,0]=3 68 B11R1.37 COC1=C(OC)N=C(C)C=C1 0928AF [0,1,0,0,0,0|2,0,1]=4 69 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 8546AC [0,1,0,0,0,0|2,0,1]=4 70 B11R1.37 COC1=CC(Br)=CN=C1C#N X2984 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.37 COC1=CC(Br)=CN=C1C=O Z7234 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.37 COC1=CC(Cl)=CN=C1OC V4905 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.37 COC1=CC(F)=CC=C1CN Z5227 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.37 COC1=CC(F)=CC=C1SC Y3748 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.37 COC1=CC=C(Br)C=C1CN 8479AA [0,1,0,0,0,0|1,0,1]=3 76 B11R1.37 COC1=CC=C(C)C=C1CCl V7398 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.37 COC1=CC=C(C)C=C1CO Z0796 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.37 COC1=CC=C(Cl)C=C1CCl V7390 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.37 COC1=CC=C(Cl)C=C1NN 2902AL [0,1,0,0,0,0|2,0,0]=3 80 B11R1.37 COC1=CC=C(S)C=C1OC U133 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.37 CSC1=CC=C(F)C=C1C=O Z0237 [0,1,0,0,0,0|1,1,0]=3 82 B11R1.37 N#CC1=C(C=O)C=CC(Cl)=C1 2156AC [0,1,0,0,0,0|3,0,0]=4 83 B11R1.41 CCNC1=C(OC)C=CC=C1 0860AF [0,1,0,0,0,0|0,0,2]=3 84 B11R1.41 CCNC1=CC=CC=C1C#N V5011 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.41 CCOC1=C(CO)C=CC=C1 5602AL [0,1,0,0,0,0|1,0,1]=3 86 B11R1.41 CCOC1=CC=CC=C1CCl 9104AB [0,1,0,0,0,0|1,0,1]=3 87 B11R1.41 CCOC1=CC=CC=C1NC 6851AD [0,1,0,0,0,0|1,0,1]=3 88 B11R1.41 CCOC1=CC=CC=C1NN 3391AD [0,1,0,0,0,0|2,0,0]=3 89 B11R1.41 CCOC1=CC=CC=C1OC 1622AL [0,1,0,0,0,0|0,0,2]=3 90 B11R1.41 CCOC1=NC=CC=C1C=O 4245AC [0,1,0,0,0,0|2,0,0]=3 91 B11R1.41 CNCC1=C(CO)C=CC=C1 5373AJ [0,1,0,0,0,0|2,0,1]=4 92 B11R1.41 COC1=C(CC=O)C=CC=C1 3932AB [0,1,0,0,0,0|0,0,1]=2 93 B11R1.41 COC1=C(\C=N\O)C=CC=C1 2108AL [0,1,0,0,0,0|1,0,0]=2 94 B11R1.41 COC1=CC=CC=C1CNN 0742AF [0,1,0,0,0,0|1,0,1]=3 95 B11R1.41 COC1=CC=CC=C1NC#N 7450AE [0,1,0,0,0,0|1,0,1]=3 96 B11R1.41 N#CCC1=CC=CC=C1C=O 8509AH [0,1,0,0,0,0|2,0,1]=4 97 B11R1.41 O=CNC1=CC=CC=C1C=O 2093AB [0,1,0,0,0,0|2,0,1]=4 98 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 1385AL [0,1,0,0,0,0|1,0,2]=4 99 B11R1.53 C=CC1=CC=CC=C1B(O)O N996 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.53 C=CC1=CC=CC=C1C(=O)O 2578AB [0,1,0,0,0,0|2,0,0]=3 101 B11R1.53 CC(C)C1=CC=CC=C1CO 0808AB [0,1,0,0,0,0|2,0,1]=4 102 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 5553AB [0,1,0,0,0,0|3,0,0]=4 103 B11R1.53 CNC1=C(C(=O)O)C=CC=N1 3608AB [0,1,0,0,0,0|3,0,0]=4 104 B11R1.53 COC1=C(B(O)O)C=CC=N1 X1921 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.53 COC1=C(C(=O)O)C=CN=C1 Y9427 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.53 COC1=C(C(=O)O)C=NC=N1 6197AJ [0,1,0,0,0,0|3,0,0]=4 107 B11R1.53 COC1=C(C(C)=O)C=CN=C1 2865AC [0,1,0,0,0,0|1,0,1]=3 108 B11R1.53 COC1=C(C(N)=O)C=NC=C1 1526AC [0,1,0,0,0,0|2,0,0]=3 109 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 0915AC [0,1,0,0,0,0|0,0,2]=3 110 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 6065AA [0,1,0,0,0,0|0,0,2]=3 111 B11R1.53 COC1=CC=CC=C1C(=N)N 1766AJ [0,1,0,0,0,0|1,0,0]=2 112 B11R1.53 COC1=CC=CC=C1C(=N)N 4779AE [0,1,0,0,0,0|1,0,0]=2 113 B11R1.53 COC1=CC=CN=C1C(C)=O Z4678 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.53 COC1=CC=NC=C1B(O)O X1922 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.53 COC1=CN=CC=C1B(O)O X1581 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.53 CSC1=C(C(N)=O)C=CC=N1 Y7856 [0,1,0,0,0,0|2,1,0]=4 117 B11R1.53 CSC1=CC=CC=C1C(C)=O W3214 [0,1,0,0,0,0|0,1,1]=3 118 B11R1.53 CSC1=CC=CC=C1[N+](=O)[O-] W5298 [0,1,0,0,0,0|2,1,0]=4 119 B11R1.53 NCC1=CC=CC=C1C(=O)O 7123AC [0,1,0,0,0,0|3,0,0]=4 120 B11R1.53 O=C(Br)C1=C(CBr)C=CC=C1 2821AE [0,1,0,0,0,0|3,0,0]=4 121 B11R1.265 CCC1=CC=CC(C)=C1C#N 4469AF [0,1,0,0,0,0|2,0,1]=4 122 B11R1.265 CNC1=C(CO)C=CC=C1C V9344 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.265 COC1=C(C=O)C(Cl)=NC=C1 V8930 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.265 COC1=C(C=O)C(I)=CC=C1 6874AB [0,1,0,0,0,0|1,0,0]=2 125 B11R1.265 COC1=C(C=O)C=CN=C1Br V4043 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.265 COC1=C(CBr)C(F)=CC=C1 6830AB [0,1,0,0,0,0|1,0,1]=3 127 B11R1.265 COC1=C(Cl)C=CN=C1CCl 9882AL [0,1,0,0,0,0|2,0,1]=4 128 B11R1.265 COC1=C(F)C=CC=C1CO W5270 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.265 COC1=CC=CC(F)=C1CCl V5289 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.265 COC1=CN=CC(N)=C1C#N Z6746 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.265 COC1=NC=CC(C)=C1C#N 7446AA [0,1,0,0,0,0|2,0,1]=4 132 B11R1.265 COC1=NC=CC(Cl)=C1C#N Z6320 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.265 COC1=NC=CC(I)=C1OC Z9046 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.265 N#CC1=C(C=O)C=CC=C1Cl X6333 [0,1,0,0,0,0|3,0,0]=4 135 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [0,0,0,1,0,0|1,0,1]=3 136 B11R2.1 BrC1=NOC2=C1C=CC=C2 5187AA [0,0,0,1,0,0|2,0,0]=3 137 B11R2.1 CN1C=NC2=NC=CC=C21 W6041 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.1 NC1=CSC2=CC=CC=C12 W5550 [0,0,0,1,0,0|1,1,1]=4 139 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [0,0,0,1,0,0|1,1,1]=4 140 B11R2.1 NC1=NOC2=NC=CC=C12 V9236 [0,0,0,1,0,0|3,0,0]=4 141 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,0,0,1,0,0|1,0,1]=3 142 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,0,0,1,0,0|1,0,1]=3 143 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [0,0,0,1,0,0|2,0,0]=3 144 B11R2.1 O=C1CCC2=NC=CC=C12 4182AA [0,0,0,1,0,0|3,0,0]=4 145 B11R2.1 O=C1COC2=CN=CC=C12 4128AJ [0,0,0,1,0,0|2,0,0]=3 146 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [0,0,0,1,0,0|2,0,1]=4 147 B11R2.20 C1=CC2=C(C=C1)OCCN2 6903AC [0,0,0,1,0,0|1,0,1]=3 148 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 0677AQ [0,0,0,1,0,0|2,0,1]=4 149 B11R2.20 C1=CC2=C(C=N1)OCCN2 6547AD [0,0,0,1,0,0|2,0,1]=4 150 B11R2.20 C1=CC=C2CCN=CC2=C1 3596AB [0,0,0,1,0,0|2,0,0]=3 151 B11R2.20 C1=CN=C2CCCOC2=C1 8439AE [0,0,0,1,0,0|1,0,2]=4 152 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|1,1,0]=4 153 B8R1.2 C=CC1=NC=CN=C1 R581 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.2 CC[N+]1=CC=CC=C1 E438 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 COC1=CC=NN=C1 Z5489 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|1,0,1]=4 157 B8R1.2 NOC1=CC=CC=C1 X4801 [2,0,0,0,0,0|1,0,0]=3 158 B8R1.2 O=[As]C1=CC=CC=C1 7620AF [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 ONC1=CC=CC=C1 0019AQ [2,0,0,0,0,0|2,0,0]=4 160 B8R1.5 CC1=C(Br)C=CN=C1 A900 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.5 CC1=C(F)C=CN=C1 2798AB [2,0,0,0,0,0|2,0,0]=4 163 B8R1.5 CC1=C(N)N=CC=C1 3663AB [2,0,0,0,0,0|2,0,0]=4 164 B8R1.5 CC1=C(S)C=CC=C1 7880AF [2,0,0,0,0,0|1,0,0]=3 165 B8R1.5 CC1=CC=CC=C1O Z3651 [2,0,0,0,0,0|0,0,1]=3 166 B8R1.5 NC1=C(O)C=NC=C1 5564AH [2,0,0,0,0,0|2,0,0]=4 167 B8R1.5 NC1=CC=CC=C1N 7683AF [2,0,0,0,0,0|2,0,0]=4 168 B10R1.2 CC1=C(C=O)C=CN=C1Cl 2370AC [1,1,0,0,0,0|2,0,0]=4 169 B10R1.2 CC1=C(Cl)C=CC=C1NN 7451AE [1,1,0,0,0,0|2,0,0]=4 170 B10R1.2 CC1=C(F)C=CC=C1NN 8273AC [1,1,0,0,0,0|2,0,0]=4 171 B10R1.2 CC1=C(O)C(CO)=CC=C1 9889AL [1,1,0,0,0,0|1,0,1]=4 172 B10R1.2 CC1=C(O)C=CC=C1C#N Z4876 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.2 CC1=NC=CC(C=O)=C1C Y4384 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.2 CCC1=CC=CC(C)=C1C Y4741 [1,1,0,0,0,0|0,0,2]=4 175 B10R1.2 CNC1=CC=CC(Br)=C1N Z7674 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.2 CNC1=CC=CC(Cl)=C1C V5857 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.2 CNC1=CC=CC(Cl)=C1Cl 3089AE [1,1,0,0,0,0|2,0,0]=4 178 B10R1.2 CNC1=CC=CC(Cl)=C1Cl Z7995 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.2 CNC1=CC=CC(Cl)=C1F Z7996 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.2 COC1=C(Br)C(Cl)=NC=C1 Z0190 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 V3807 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.2 COC1=C(I)C(N)=CC=N1 3211AA [1,1,0,0,0,0|2,0,0]=4 183 B10R1.2 COC1=C(I)C(O)=CC=C1 4161AA [1,1,0,0,0,0|1,0,0]=3 184 B10R1.2 COC1=C(N)C(N)=CC=C1 5908AJ [1,1,0,0,0,0|1,0,0]=3 185 B10R1.2 COC1=C(N)C(O)=CC=C1 Z4717 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.2 COC1=C(O)C(I)=CC=C1 2096AA [1,1,0,0,0,0|1,0,0]=3 187 B10R1.2 COC1=CC=CC(C)=C1F Z1163 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.2 COC1=CC=CC(F)=C1Cl Z0599 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.2 COC1=CC=C[N+]([O-])=C1Br X7900 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.2 COC1=CN=CC(N)=C1C 2214AC [1,1,0,0,0,0|1,0,1]=4 191 B10R1.2 COC1=CN=CC(N)=C1I 8003AC [1,1,0,0,0,0|2,0,0]=4 192 B10R1.2 COC1=NC=CC(Br)=C1C 2150AA [1,1,0,0,0,0|1,0,1]=4 193 B10R1.2 COC1=NC=CC(C)=C1N 9447AA [1,1,0,0,0,0|2,0,0]=4 194 B10R1.2 COC1=NC=CC(N)=C1Cl X2057 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.2 CSC1=C(F)C(O)=CC=C1 Y3946 [1,1,0,0,0,0|1,1,0]=4 196 B10R1.2 CSC1=CC=CC(Cl)=C1F V4337 [1,1,0,0,0,0|1,1,0]=4 197 B10R1.2 CSC1=CC=CC(F)=C1F Z0046 [1,1,0,0,0,0|1,1,0]=4 198 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,1,0,0,0,0|1,0,0]=3 199 B10R1.4 C=CCC1=CC=CC=C1Br 0424AQ [1,1,0,0,0,0|1,0,0]=3 200 B10R1.4 CC1=CC=CC=C1CNN 4794AE [1,1,0,0,0,0|1,0,1]=4 201 B10R1.4 CC1=CC=CC=C1N=[N+]=[N-] 0050AQ [1,1,0,0,0,0|2,0,0]=4 202 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,1,0,0,0,0|0,0,2]=4 203 B10R1.4 CCNC1=C(N)C=CC=C1 8052AD [1,1,0,0,0,0|2,0,0]=4 204 B10R1.4 CCOC1=C(Br)C=NC=C1 V5422 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.4 CCOC1=CC=CNC1=O 5869AJ [1,1,0,0,0,0|2,0,0]=4 206 B10R1.4 CCOC1=NC=CC=C1F 3378AC [1,1,0,0,0,0|2,0,0]=4 207 B10R1.4 CCSC1=CC=CC=C1Br I195 [1,1,0,0,0,0|1,1,0]=4 208 B10R1.4 NCCC1=CC=CC=C1N W6472 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|2,0,0]=4 210 B10R1.4 O\N=C\C1=C(F)C=CC=C1 6229AB [1,1,0,0,0,0|2,0,0]=4 211 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [1,1,0,0,0,0|2,0,0]=4 212 B10R1.25 CC1=C(C=O)C=NC(Br)=C1 5663AC [1,1,0,0,0,0|2,0,0]=4 213 B10R1.25 CC1=C(CN)C=CC(F)=C1 2721AL [1,1,0,0,0,0|1,0,1]=4 214 B10R1.25 CC1=CC(Br)=CC=C1NN V6625 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.25 CC1=CC(Br)=NC=C1C=O Z0096 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.25 CC1=CC(F)=CC=C1CO Z0855 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.25 CC1=CC(N)=CC=C1CO 6079AJ [1,1,0,0,0,0|1,0,1]=4 218 B10R1.25 CC1=CC=C(NN)C(C)=C1 1053AL [1,1,0,0,0,0|2,0,0]=4 219 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.25 CCC1=C(Br)C=C(N)C=C1 5299AH [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 CCC1=CC=C(Br)C=C1N 3118AJ [1,1,0,0,0,0|2,0,0]=4 223 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [1,1,0,0,0,0|0,0,2]=4 224 B10R1.25 CNC1=C(Br)C=C(Br)C=C1 1026AQ [1,1,0,0,0,0|2,0,0]=4 225 B10R1.25 CNC1=C(N)C=C(Cl)C=C1 2669AL [1,1,0,0,0,0|2,0,0]=4 226 B10R1.25 CNC1=CC=C(Cl)C=C1Br Z8181 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.25 CNC1=CC=C(F)C=C1Br Z8432 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.25 CNC1=CC=C(F)C=C1F Z7994 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.25 COC1=C(Br)N=C(N)C=C1 Y4109 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.25 COC1=C(Cl)C=C(Br)N=C1 4837AA [1,1,0,0,0,0|2,0,0]=4 231 B10R1.25 COC1=C(Cl)C=C(C)C=C1 7494AD [1,1,0,0,0,0|1,0,0]=3 232 B10R1.25 COC1=C(F)C=C(N)C=N1 W9142 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.25 COC1=C(N)C=C(F)C=N1 3720AA [1,1,0,0,0,0|2,0,0]=4 234 B10R1.25 COC1=CC=C(Br)C=C1N Z7000 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.25 COC1=CC=C(C)C=C1F Z0570 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.25 COC1=CC=C(I)C=C1Cl Z0832 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.25 COC1=CC=C(N)C=C1C 0301AD [1,1,0,0,0,0|0,0,1]=3 238 B10R1.25 COC1=CN=C(Br)C=C1O 6191AA [1,1,0,0,0,0|2,0,0]=4 239 B10R1.25 COC1=NC=C(C)C=C1Cl W9916 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.25 COC1=NC=C(C)C=C1I Z8220 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.25 COC1=NC=C(C)C=C1O Z8657 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.25 COC1=NC=C(Cl)C=C1O Z9050 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 COC1=NC=C(F)C=C1F 9839AC [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 COC1=NC=C(N)C=C1C X9137 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.25 COC1=NC=C(O)C=C1C Y3854 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.25 COC1=NC=C(O)C=C1Cl Y3795 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.25 CSC1=CC=C(Cl)C=C1Br Z0606 [1,1,0,0,0,0|1,1,0]=4 248 B10R1.25 NCC1=C(O)C=C(O)C=C1 9679AB [1,1,0,0,0,0|1,0,1]=4 249 B10R1.25 NCC1=CC=C(Br)C=C1O 1235AJ [1,1,0,0,0,0|1,0,1]=4 250 B10R1.30 CC1=CC=C(Br)C=C1CO Z0434 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.30 CC1=CC=C(I)C=C1C=O Z0762 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.30 CC1=CC=C(O)C=C1CO Y3987 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.30 CC1=NC=C(Cl)C=C1C=O 1379AA [1,1,0,0,0,0|2,0,0]=4 254 B10R1.30 CNC1=CC(Cl)=CC=C1Br Z8005 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.30 CNC1=CC(Cl)=CC=C1C Z7997 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.30 CNC1=CC(Cl)=CC=C1Cl Z8087 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.30 CNC1=CC(F)=CC=C1Br Z8164 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.30 COC1=C(Br)N=CC(N)=C1 Y3279 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.30 COC1=C(Cl)N=CC(N)=C1 W8292 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.30 COC1=CC(=O)C=CC1=O 2859AB [1,1,0,0,0,0|1,0,0]=3 261 B10R1.30 COC1=CC(Br)=CN=C1Br Z7504 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.30 COC1=CC(Br)=CN=C1C 2479AA [1,1,0,0,0,0|1,0,1]=4 263 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.30 COC1=CC(C)=NC=C1Br 4514AC [1,1,0,0,0,0|2,0,0]=4 265 B10R1.30 COC1=CC(Cl)=CN=C1Cl 1163AD [1,1,0,0,0,0|2,0,0]=4 266 B10R1.30 COC1=CC(Cl)=CN=C1N Z8751 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.30 COC1=CC(F)=CC=C1C Z1199 [1,1,0,0,0,0|0,0,1]=3 268 B10R1.30 COC1=CC(F)=CC=C1F F188 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.30 COC1=CC(F)=CC=C1I Z0604 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.30 COC1=CC(I)=CC=C1N V5279 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.30 COC1=CC(N)=CC=C1F V4508 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.30 CSC1=CC(Br)=CC=C1Br Z0117 [1,1,0,0,0,0|1,1,0]=4 273 B10R1.30 CSC1=CC(Br)=CC=C1C Z0186 [1,1,0,0,0,0|0,1,1]=4 274 B10R1.30 CSC1=CC(Br)=CC=C1F Z0154 [1,1,0,0,0,0|1,1,0]=4 275 B10R1.30 CSC1=CC(C)=CC=C1Br Z0188 [1,1,0,0,0,0|1,1,0]=4 276 B10R1.30 NCC1=C(O)C=CC(N)=C1 2407AC [1,1,0,0,0,0|1,0,1]=4 277 B10R1.30 NCC1=CC(Cl)=CC=C1O 5223AB [1,1,0,0,0,0|1,0,1]=4 278 B10R1.30 O=CC1=CC(F)=CC=C1I W9011 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [1,1,0,0,0,0|0,0,0]=2 280 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.61 CC(Br)C1=CC=CC=C1F Y9030 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.61 CC(N)C1=CC=CC=C1Br Z7493 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 6296AA [1,1,0,0,0,0|2,0,0]=4 285 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [1,1,0,0,0,0|2,0,0]=4 286 B10R1.61 CC1=C(C(=O)O)N=CC=C1 4521AA [1,1,0,0,0,0|2,0,0]=4 287 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [1,1,0,0,0,0|0,0,2]=4 288 B10R1.61 CC1=C(C(N)=S)N=CC=C1 0825AQ [1,1,0,0,0,0|2,0,0]=4 289 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [1,1,0,0,0,0|0,0,2]=4 290 B10R1.61 CC1=CC=CN=C1C(N)=O 3720AF [1,1,0,0,0,0|2,0,0]=4 291 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [1,1,0,0,0,0|1,1,0]=4 292 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 8346AH [1,1,0,0,0,0|2,0,0]=4 294 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br 2344AA [1,1,0,0,0,0|2,0,0]=4 295 B10R1.61 C[C@@H](N)C1=CC=CC=C1F X9177 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 N446 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.61 C[C@H](N)C1=CC=CC=C1Br Z4151 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 8791AA [1,1,0,0,0,0|2,0,0]=4 299 B10R1.61 C[C@H](O)C1=CC=CC=C1Br N448 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [1,1,0,0,0,0|2,0,0]=4 301 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [1,1,0,0,0,0|2,0,0]=4 302 B10R1.61 NC(=S)C1=CC=CC=C1Br 1055AQ [1,1,0,0,0,0|2,0,0]=4 303 B10R1.245 C=CC1=C(Cl)C=CC=C1Cl 7842AJ [1,1,0,0,0,0|1,0,0]=3 304 B10R1.245 C=CC1=C(F)C=CC=C1F 0610AB [1,1,0,0,0,0|1,0,0]=3 305 B10R1.245 CC1=C(C=O)C(Cl)=NC=C1 4138AC [1,1,0,0,0,0|2,0,0]=4 306 B10R1.245 CC1=C(C=O)C(F)=NC=C1 9122AB [1,1,0,0,0,0|2,0,0]=4 307 B10R1.245 CC1=C(CBr)C(Br)=CC=C1 1619AJ [1,1,0,0,0,0|1,0,1]=4 308 B10R1.245 CC1=CC=CC(Br)=C1CO 1261AA [1,1,0,0,0,0|1,0,1]=4 309 B10R1.245 CNC1=C(C)C=CC=C1C 9464AE [1,1,0,0,0,0|1,0,1]=4 310 B10R1.245 COC1=C(Br)C=CC=C1O V8600 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.245 COC1=C(Br)C=NC=C1Cl 3864AA [1,1,0,0,0,0|2,0,0]=4 312 B10R1.245 COC1=C(F)C=CC=C1O Z1209 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.245 COC1=C(F)C=NC=C1F 0578AD [1,1,0,0,0,0|2,0,0]=4 314 B10R1.245 COC1=C(O)C=CN=C1C 7642AB [1,1,0,0,0,0|1,0,1]=4 315 B10R1.245 CSC1=C(Cl)C=CC=C1O Z0579 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.245 NC1=CC=CC(Br)=C1C=O 1529AJ [1,1,0,0,0,0|2,0,0]=4 317 B10R1.245 NC1=CC=CC(F)=C1C=O 4704AD [1,1,0,0,0,0|2,0,0]=4 318 B10R1.39 COC1=CSC=C1C(N)=O Y9743 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.46 CC(C)C1=CC(Br)=CC=C1C=O Y7049 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.46 CCC1=CC=C(Br)C=C1C(=O)O 6074AB [0,2,0,0,0,0|2,0,0]=4 321 B12R1.46 CN(C)C1=CC(Br)=CC=C1C=O Z6588 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.46 CNC1=CC=C(C)C=C1C(=O)O 2943AL [0,2,0,0,0,0|2,0,0]=4 323 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 Z8659 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.46 COC1=C(C(C)O)C=C(F)C=C1 1447AL [0,2,0,0,0,0|0,0,2]=4 325 B12R1.46 COC1=C(C(F)F)C=C(Br)C=C1 3355AD [0,2,0,0,0,0|1,0,1]=4 326 B12R1.46 COC1=C(C(N)=O)C=C(Br)C=C1 9561AD [0,2,0,0,0,0|1,0,0]=3 327 B12R1.46 COC1=CC=C(Cl)C=C1C(=N)N 5285AD [0,2,0,0,0,0|1,0,0]=3 328 B12R1.46 COC1=CC=C(N)C=C1C(=O)O X8036 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.46 COC1=CC=C(O)C=C1B(O)O Z7109 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.46 COC1=NC=C(C)C=C1C(C)=O 0930AD [0,2,0,0,0,0|1,0,1]=4 331 B12R1.46 COC1=NC=C(I)C=C1C(=O)O 4184AD [0,2,0,0,0,0|2,0,0]=4 332 B12R1.57 CN(C)C1=CC=C(Br)C=C1C=O V3764 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 1358AA [0,2,0,0,0,0|2,0,0]=4 334 B12R1.57 COC1=C(C(=O)O)C=CC(I)=C1 1142AQ [0,2,0,0,0,0|1,0,0]=3 335 B12R1.57 COC1=CC(Br)=CC=C1C(N)=O V7847 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.57 COC1=CC(Cl)=NC=C1C(N)=O 3651AD [0,2,0,0,0,0|2,0,0]=4 337 B12R1.57 COC1=CC(I)=CC=C1[N+](=O)[O-] V8155 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.57 COC1=CC(N)=CC=C1C(C)=O 8976AB [0,2,0,0,0,0|0,0,1]=3 339 B12R1.57 COC1=CC(O)=CC=C1C(=O)O X8080 [0,2,0,0,0,0|1,0,0]=3 340 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3452AA [0,2,0,0,0,0|0,0,2]=4 341 B12R1.78 CCC1=CC=C(OC)C(OC)=C1 Z4915 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.78 COC1=C(C=O)C=C(C#N)C=C1 1159AQ [0,2,0,0,0,0|1,0,0]=3 343 B12R1.78 COC1=C(CO)C=C(C=O)C=C1 9440AE [0,2,0,0,0,0|1,0,1]=4 344 B12R1.78 COC1=C(SC)C=CC(C=O)=C1 2317AJ [0,2,0,0,0,0|1,0,1]=4 345 B12R1.78 COC1=CC(C=O)=CC=C1C#N Z0386 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.112 CCOC1=C(C#N)C=C(Br)C=C1 9037AD [0,2,0,0,0,0|1,0,1]=4 347 B12R1.112 CCOC1=C(C=O)C=C(Cl)C=C1 8999AD [0,2,0,0,0,0|1,0,0]=3 348 B12R1.112 CCOC1=CC=C(Br)C=C1CO V3425 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.112 COC1=CC(F)=CC=C1CC#N X8396 [0,2,0,0,0,0|0,0,2]=4 350 B12R1.234 COC1=C(Br)C=C(C)C=C1C=O Y3873 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.234 COC1=C(C#N)C(C)=CC(C)=C1 3271AC [0,2,0,0,0,0|1,0,1]=4 352 B12R1.234 COC1=C(C#N)C(F)=CC(Br)=C1 6293AB [0,2,0,0,0,0|1,0,1]=4 353 B12R1.234 COC1=C(C)C=C(C)C=C1C=O 5235AD [0,2,0,0,0,0|1,0,0]=3 354 B12R1.234 COC1=C(C=O)C=C(Br)C=C1Br 6749AE [0,2,0,0,0,0|1,0,0]=3 355 B12R1.234 COC1=C(Cl)C=C(Cl)C=C1C=O 9335AE [0,2,0,0,0,0|1,0,0]=3 356 B12R1.234 COC1=C(F)C=C(F)C=C1C#N 2306AL [0,2,0,0,0,0|1,0,1]=4 357 B12R1.268 C=CCC1=CC(C)=CC=C1OC 5545AE [0,2,0,0,0,0|0,0,0]=2 358 B12R1.268 CCOC1=CC(Br)=CC=C1C=O Z7271 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.268 CCOC1=CC(Br)=CC=C1CO Z7273 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.268 COC1=C(CC#N)C=C(Cl)C=C1 0911AC [0,2,0,0,0,0|0,0,2]=4 361 B12R1.448 CNC1=CC(Br)=C(Br)C=C1OC Z7988 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.448 COC1=C(OC)C=C(N)C(N)=C1 Y5085 [0,2,0,0,0,0|1,0,1]=4 363 B12R1.448 COC1=CC(Cl)=C(Br)C=C1C#N Z8741 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.448 COC1=CC(Cl)=C(Cl)C=C1OC V4874 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.448 COC1=CC(N)=C(N)C=C1OC Y1226 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.652 COC1=C(C=O)C(F)=C(F)C=C1 Z0309 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.652 COC1=CC=C(Br)C(C)=C1OC 1639AC [0,2,0,0,0,0|1,0,1]=4 368 B12R1.75 C=C(C)CC1=C(OC)C=CC=C1 3235AF [0,2,0,0,0,0|0,0,0]=2 369 B12R1.75 C=CC1=C(CN(C)C)C=CC=C1 1425AB [0,2,0,0,0,0|1,0,0]=3 370 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 3120AL [0,2,0,0,0,0|0,0,0]=2 371 B12R1.75 CC(C)OC1=CC=CC=C1CN W4641 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.75 CC(C)OC1=NC=CC=C1C=O 1746AJ [0,2,0,0,0,0|2,0,0]=4 373 B12R1.75 CN(C)CC1=C(C=O)C=CC=C1 6697AD [0,2,0,0,0,0|2,0,0]=4 374 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 3093AH [0,2,0,0,0,0|0,0,1]=3 375 B12R1.75 COC1=CC=CC=C1CC(=O)Cl 1722AL [0,2,0,0,0,0|0,0,1]=3 376 B12R1.75 COC1=CC=CC=C1OC(C)=O 6698AE [0,2,0,0,0,0|0,0,1]=3 377 B12R1.75 COC1=NC=CC=C1NC(C)=O 7169AB [0,2,0,0,0,0|1,0,1]=4 378 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 3877AH [0,2,0,0,0,0|0,1,1]=4 379 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 5586AE [0,2,0,0,0,0|0,0,1]=3 380 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC W7435 [0,2,0,0,0,0|0,0,2]=4 381 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 5643AB [0,2,0,0,0,0|1,0,1]=4 382 B12R1.77 COC(=O)C1=CC=NC=C1OC 8906AB [0,2,0,0,0,0|1,0,1]=4 383 B12R1.77 COC1=C(C(=O)NN)C=CC=N1 2420AF [0,2,0,0,0,0|2,0,0]=4 384 B12R1.77 COC1=CC=CC=C1C(=O)C#N 1225AC [0,2,0,0,0,0|0,0,1]=3 385 B12R1.77 COC1=CC=CC=C1C(=O)C=O 9051AD [0,2,0,0,0,0|0,0,0]=2 386 B12R1.77 COC1=CC=CC=C1C(N)C#N W7577 [0,2,0,0,0,0|0,0,2]=4 387 B12R1.77 COC1=CC=CC=C1\C(Cl)=N\O 1566AC [0,2,0,0,0,0|1,0,0]=3 388 B12R1.77 CSC1=CC=CC=C1C(=O)NN 1854AF [0,2,0,0,0,0|1,1,0]=4 389 B12R1.121 CCCOC1=C(CN)C=CC=C1 1977AE [0,2,0,0,0,0|1,0,1]=4 390 B12R1.121 CCCOC1=NC=CC=C1C=O 5110AH [0,2,0,0,0,0|2,0,0]=4 391 B12R1.121 CNCCC1=CC=CC=C1OC 7980AC [0,2,0,0,0,0|0,0,2]=4 392 B12R1.121 COC1=C(CCCBr)C=CC=C1 2016AE [0,2,0,0,0,0|0,0,2]=4 393 B12R1.121 COC1=CC=CC=C1OCC#N 7975AE [0,2,0,0,0,0|0,0,2]=4 394 B12R1.121 CSC1=C(OCC#N)C=CC=C1 5593AJ [0,2,0,0,0,0|1,0,1]=4 395 B12R1.121 CSC1=CC=CC=C1OCCN 5382AJ [0,2,0,0,0,0|1,0,1]=4 396 B12R1.121 N#CC1=CC=CC=C1OCCN 5178AJ [0,2,0,0,0,0|1,0,1]=4 397 B12R1.121 N#CC1=CC=CC=C1OCCO 3374AB [0,2,0,0,0,0|1,0,1]=4 398 B12R1.283 CCOC1=C(C(=O)O)C=CN=C1 9768AE [0,2,0,0,0,0|2,0,0]=4 399 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 9071AC [0,2,0,0,0,0|0,0,2]=4 400 B12R1.283 CCOC1=CC=CC=C1[N+](=O)[O-] X8343 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 7178AD [0,2,0,0,0,0|1,1,0]=4 402 B12R1.283 CNCC1=C(C(=O)O)C=CC=C1 4977AE [0,2,0,0,0,0|2,0,0]=4 403 B12R1.283 NCCC1=CC=CC=C1C(=O)O 0689AA [0,2,0,0,0,0|2,0,0]=4 404 B12R1.542 CCOC1=C(C#N)C(Br)=CC=C1 V2575 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.87 CCC1=C(C(=O)O)C=CC=C1Br X3631 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.87 COC1=C(C(C)=O)C=CC=C1Cl 6987AC [0,2,0,0,0,0|0,0,1]=3 407 B12R1.87 COC1=C(C)C=CC=C1B(O)O V8953 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.87 COC1=C(C)C=CC=C1C(C)=O 5079AH [0,2,0,0,0,0|0,0,1]=3 409 B12R1.261 CC(N)C1=C(C(=O)O)C=CC=C1 9995AH [0,2,0,0,0,0|2,0,0]=4 410 B12R1.261 CN(C)C1=CC=CC=C1C(N)=O 8190AB [0,2,0,0,0,0|2,0,0]=4 411 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O 6435AD [0,2,0,0,0,0|1,1,0]=4 412 B12R1.437 COC1=C(C(=O)O)C(Cl)=CN=C1 0935AB [0,2,0,0,0,0|2,0,0]=4 413 B12R1.437 COC1=C(C(=O)O)C(F)=NC=C1 3223AA [0,2,0,0,0,0|2,0,0]=4 414 B12R1.437 COC1=C(C(=O)O)C(I)=CC=C1 0167AC [0,2,0,0,0,0|1,0,0]=3 415 B12R1.437 COC1=C(C(N)=O)C(Cl)=CC=C1 1565AA [0,2,0,0,0,0|1,0,0]=3 416 B12R1.437 COC1=CC=CC(C)=C1B(O)O V9950 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.437 COC1=CN=CC(N)=C1C(=O)O V7889 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.741 COC1=C(OC)C(=O)C=CC1=O 1877AL [0,2,0,0,0,0|1,0,1]=4 419 B12R1.1879 COC1=CN=CC(OC)=C1C=O 9449AJ [0,2,0,0,0,0|2,0,0]=4 420 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,0,1,1,0,0|2,0,0]=4 421 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [0,0,1,1,0,0|1,0,1]=4 422 B10R1.172 C=CC1=CC=CC(C=O)=C1 0260AB [0,0,1,1,0,0|2,0,0]=4 423 B10R1.172 C=CC1=NC=CC(OC)=C1 3214AB [0,0,1,1,0,0|1,0,0]=3 424 B10R1.172 CNC1=CC=CC(OC)=C1 V4822 [0,0,1,1,0,0|1,0,1]=4 425 B10R1.172 CSC1=CC=CC(C=O)=C1 5233AH [0,0,1,1,0,0|1,1,0]=4 426 B10R1.176 COC1=CC=C(N)C(C)=C1 Z9736 [0,0,1,1,0,0|1,0,1]=4 427 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,1,0,0|1,0,1]=4 428 B10R2.7 C1=CC2=C(C=N1)OC=C2 Y5330 [1,0,0,1,0,0|1,0,0]=3 429 B10R2.7 C1=CC2=CC=CN2C=C1 2610AB [1,0,0,1,0,0|1,0,1]=4 430 B10R2.7 C1=CN=C2OC=NC2=C1 7311AJ [1,0,0,1,0,0|2,0,0]=4 431 B12R2.24 BrC1=CC2=C(C=C1)OCOC2 2644AF [0,1,0,1,0,0|1,0,1]=4 432 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 Z5133 [0,1,0,1,0,0|2,0,0]=4 433 B12R2.24 BrC1=CC2=NN=CC=C2C=C1 6593AA [0,1,0,1,0,0|2,0,0]=4 434 B12R2.24 BrC1=CC=C2OCC=CC2=C1 6429AJ [0,1,0,1,0,0|0,0,0]=2 435 B12R2.24 CC1CNC2=CC=CC=C2O1 V6799 [0,1,0,1,0,0|1,0,1]=4 436 B12R2.24 CC1COC2=CC=CC=C2N1 0197AE [0,1,0,1,0,0|0,0,2]=4 437 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 8464AE [0,1,0,1,0,0|1,0,1]=4 438 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 V6583 [0,1,0,1,0,0|1,0,1]=4 439 B12R2.24 ClC1=CC=C2OCCOC2=C1 W7107 [0,1,0,1,0,0|1,0,1]=4 440 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 5859AJ [0,1,0,1,0,0|2,0,0]=4 441 B12R2.24 FC1=CC2=C(C=C1)OCCC2 2700AC [0,1,0,1,0,0|0,0,2]=4 442 B12R2.24 FC1=CC2=CN=CC=C2C=C1 Y5168 [0,1,0,1,0,0|2,0,0]=4 443 B12R2.24 FC1=CC=C2C=CC=CC2=C1 Z3465 [0,1,0,1,0,0|1,0,1]=4 444 B12R2.24 FC1=CC=C2N=CC=CC2=C1 V5066 [0,1,0,1,0,0|1,0,1]=4 445 B12R2.24 IC1=CC=C2C=NC=CC2=C1 Y4007 [0,1,0,1,0,0|2,0,0]=4 446 B12R2.24 IC1=CC=C2OCCOC2=C1 Y9528 [0,1,0,1,0,0|1,0,1]=4 447 B12R2.24 NC1=CC2=C(C=C1)OCCO2 2505AC [0,1,0,1,0,0|1,0,1]=4 448 B12R2.24 NC1=CC2=C(C=C1)OCOC2 7769AD [0,1,0,1,0,0|1,0,1]=4 449 B12R2.24 NC1=CC2=NC=CC=C2C=C1 6474AJ [0,1,0,1,0,0|1,0,1]=4 450 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [0,1,0,1,0,0|0,0,2]=4 451 B12R2.24 O=C1COC2=CC=CC=C2C1 9923AA [0,1,0,1,0,0|0,0,1]=3 452 B12R2.24 O=C1COC2=CC=NC=C2N1 Z6517 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.24 OC1COC2=C(C=CC=C2)O1 5942AE [0,1,0,1,0,0|1,0,1]=4 454 B12R2.24 S=C1C=CC2=CC=CC=C2N1 0779AQ [0,1,0,1,0,0|1,0,1]=4 455 B12R2.132 BrC1=CC=C2OC=C(Br)C2=C1 Y4899 [0,1,0,1,0,0|1,0,1]=4 456 B12R2.132 CC1=CC2=C(C=C1)ON=C2N 4945AC [0,1,0,1,0,0|2,0,0]=4 457 B12R2.132 CC1=CC2=C(C=C1)ONC2=O 0075AC [0,1,0,1,0,0|2,0,0]=4 458 B12R2.132 CC1=CSC2=CC=C(Br)C=C12 X9386 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.132 CC1=NOC2=CC=C(N)C=C21 Z5192 [0,1,0,1,0,0|1,0,1]=4 460 B12R2.132 CN1C=CC2=CC=C(N)C=C21 6396AA [0,1,0,1,0,0|1,0,0]=3 461 B12R2.132 CN1N=CC2=C1C=C(Cl)C=C2 Y5770 [0,1,0,1,0,0|2,0,0]=4 462 B12R2.132 ClC1=NOC2=C1C=C(Br)C=C2 5353AB [0,1,0,1,0,0|2,0,0]=4 463 B12R2.132 FC1=CC=C2ON=C(Cl)C2=C1 W3891 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.132 NC1=CC2=C(C=C1)ONC2=O 1421AC [0,1,0,1,0,0|2,0,0]=4 465 B12R2.132 NC1=NOC2=CC=C(F)C=C21 5444AC [0,1,0,1,0,0|2,0,0]=4 466 B12R2.132 NC1COC2=CC=C(Br)C=C21 3114AJ [0,1,0,1,0,0|1,0,1]=4 467 B12R2.132 NC1COC2=CC=C(Cl)C=C21 3180AJ [0,1,0,1,0,0|1,0,1]=4 468 B12R2.132 NC1COC2=CC=C(F)C=C21 5848AH [0,1,0,1,0,0|1,0,1]=4 469 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 W5443 [0,1,0,1,0,0|1,0,0]=3 470 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 1873AB [0,1,0,1,0,0|2,0,0]=4 471 B12R2.612 CC1=NOC2=CC(Cl)=CC=C21 V7165 [0,1,0,1,0,0|1,0,1]=4 472 B12R2.612 CN1C=CC2=CC(N)=CN=C21 4112AC [0,1,0,1,0,0|2,0,0]=4 473 B12R2.612 CN1C=CC2=CC(O)=CC=C21 6291AA [0,1,0,1,0,0|1,0,0]=3 474 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 4591AA [0,1,0,1,0,0|2,0,0]=4 475 B12R2.612 NC1=NOC2=CC(Cl)=CC=C21 V8834 [0,1,0,1,0,0|2,0,0]=4 476 B12R2.612 NC1COC2=C1C=CC(Br)=C2 6155AC [0,1,0,1,0,0|1,0,1]=4 477 B12R2.1 BrCC1=CSC2=C1C=CC=C2 2251AL [0,1,0,1,0,0|2,0,0]=4 478 B12R2.1 BrCC1=NOC2=C1C=CC=C2 X6921 [0,1,0,1,0,0|1,0,1]=4 479 B12R2.1 CCN1C=CC2=CC=CC=C21 1334AA [0,1,0,1,0,0|1,0,0]=3 480 B12R2.1 CCN1C=NC2=C1C=CC=C2 0903AC [0,1,0,1,0,0|2,0,0]=4 481 B12R2.1 COC1=NNC2=CC=CC=C21 9664AA [0,1,0,1,0,0|2,0,0]=4 482 B12R2.1 NCC1=CSC2=CC=CC=C12 Y9464 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.1 O=CC1=COC2=C1C=CC=N2 1820AA [0,1,0,1,0,0|1,0,1]=4 484 B12R2.1 O=CC1=NNC2=C1C=CC=C2 5134AJ [0,1,0,1,0,0|2,0,0]=4 485 B12R2.1 OCC1=COC2=CC=CC=C12 6401AB [0,1,0,1,0,0|0,0,2]=4 486 B12R2.1 O\N=C1/COC2=CC=CC=C21 0178AF [0,1,0,1,0,0|1,0,0]=3 487 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 4843AB [0,1,0,1,0,0|0,0,1]=3 488 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [0,1,0,1,0,0|2,0,0]=4 489 B12R2.18 CN1C(=S)NC2=CC=CC=C21 0345AQ [0,1,0,1,0,0|2,0,0]=4 490 B12R2.18 CN1C(=S)SC2=CC=CC=C21 Z2745 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.315 BrCC1=C2OCOC2=CC=C1 Z3805 [0,1,0,1,0,0|1,0,1]=4 492 B12R2.315 BrCC1=C2SC=CC2=CC=C1 Y6789 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.315 COC1=C2NC=CC2=NC=C1 5870AB [0,1,0,1,0,0|1,0,0]=3 494 B12R2.315 COC1=C2OC=CC2=CC=C1 W8060 [0,1,0,1,0,0|0,0,0]=2 495 B12R2.315 COC1=C2SC=NC2=CC=C1 3720AJ [0,1,0,1,0,0|1,0,0]=3 496 B12R2.315 COC1=CC=CC2=C1C=NN2 W5677 [0,1,0,1,0,0|1,0,0]=3 497 B12R2.315 COC1=CC=CC2=C1NCC2 3908AB [0,1,0,1,0,0|0,0,2]=4 498 B12R2.315 COC1=CC=CN2C=CN=C12 0233AA [0,1,0,1,0,0|1,0,0]=3 499 B12R2.315 COC1=CC=NC2=C1NN=C2 3714AJ [0,1,0,1,0,0|2,0,0]=4 500 B12R2.315 COC1=NC=CC2=C1C=CN2 W9688 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.315 COC1=NC=CC2=C1NC=C2 Y7702 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.315 CSC1=CC=CC2=C1NC=C2 5919AC [0,1,0,1,0,0|0,1,0]=3 503 B12R2.315 N#CC1=C2SC=CC2=CC=C1 Y8345 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.315 NCC1=C2OCCC2=CC=C1 Y8865 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.315 NCC1=C2OCOC2=CC=C1 W3966 [0,1,0,1,0,0|1,0,1]=4 506 B12R2.315 O=CC1=C2C=CSC2=CC=C1 0369AA [0,1,0,1,0,0|2,0,0]=4 507 B12R2.315 O=CC1=C2SC=CC2=CC=C1 Y6792 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.315 OCC1=C2OCCC2=CC=C1 W3300 [0,1,0,1,0,0|1,0,1]=4 509 B12R2.1081 BrC1=C2C=CC=CC2=CC=N1 W3339 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.1081 CC1=C2C=NC=CC2=CC=C1 9522AB [0,1,0,1,0,0|2,0,0]=4 511 B12R2.1081 CC1=CC=CC2=C1N=NC=C2 7445AB [0,1,0,1,0,0|2,0,0]=4 512 B12R2.1081 ClC1=C2OCCNC2=CC=C1 6024AC [0,1,0,1,0,0|1,0,1]=4 513 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 V5067 [0,1,0,1,0,0|1,0,1]=4 514 B12R2.1081 FC1=C2NCCOC2=CC=C1 Z6907 [0,1,0,1,0,0|1,0,1]=4 515 B12R2.1081 FC1=CC=NC2=CC=CC=C12 2411AE [0,1,0,1,0,0|1,0,1]=4 516 B12R2.1081 FC1=CC=NC2=CC=CC=C12 3029AD [0,1,0,1,0,0|1,0,1]=4 517 B12R2.1081 IC1=C2C=CC=CC2=CC=N1 Y5331 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.1081 NC1=C2CCCOC2=CC=C1 3919AJ [0,1,0,1,0,0|0,0,2]=4 519 B12R2.1081 NC1=CC=CC2=C1C=NC=C2 4162AJ [0,1,0,1,0,0|2,0,0]=4 520 B12R2.1081 NC1=CC=CC2=C1OCCO2 8117AA [0,1,0,1,0,0|1,0,1]=4 521 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [0,1,0,1,0,0|1,0,1]=4 522 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [0,1,0,1,0,0|1,0,1]=4 523 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B382 [0,1,0,1,0,0|1,0,1]=4 524 B12R2.1081 O=C1CCOC2=CC=CN=C12 Z4709 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.1081 O=C1NC=CC2=CC=CC=C12 6656AB [0,1,0,1,0,0|2,0,0]=4 526 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 7709AA [0,1,0,1,0,0|2,0,0]=4 527 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [0,1,0,1,0,0|1,0,1]=4 528 B12R2.1081 SC1=CC=CC2=C1N=CC=C2 F630 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.2048 O=CC1=CC=CC=C1C2CC2 Z0339 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.2028 CN1N=C(Br)C2=CC=CC=C21 V2198 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.196 CC1=CNC2=C(Br)C=CC=C12 3679AC [0,1,0,1,0,0|2,0,0]=4 532 B12R2.196 CN1C=CC2=C(N)C=CN=C21 3065AH [0,1,0,1,0,0|2,0,0]=4 533 B12R2.196 CN1C=CC2=C1C=CC=C2N X4949 [0,1,0,1,0,0|1,0,0]=3 534 B12R2.196 CN1C=CC2=C1C=CC=C2O W8279 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.196 CN1C=CC2=C1C=CN=C2Cl Z2322 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.196 CN1C=CC2=C1N=CC=C2Cl W8212 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.196 CN1N=CC2=C1C=CC=C2F Y5189 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.196 CN1N=CC2=C1C=CC=C2I W9622 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.196 CN1N=CC2=C1C=CC=C2O Y7541 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.196 NC1=NOC2=C(F)C=CC=C12 2445AB [0,1,0,1,0,0|2,0,0]=4 541 B12R2.196 O=C1COC2=C1C=CC=C2Cl 3655AB [0,1,0,1,0,0|1,0,0]=3 542 B12R2.196 O=C1COC2=C1C=CC=C2F 6026AC [0,1,0,1,0,0|1,0,0]=3 543 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 5201AB [0,1,0,1,0,0|2,0,0]=4 544 B12R2.203 CN1N=CC2=C1C(F)=CC=C2 Z8002 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl 1897AB [0,1,0,1,0,0|2,0,0]=4 546 B12R2.203 NC1=CC=CC2=C1C(=O)CC2 Y5493 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.203 O=C1CCC2=C1C(I)=CC=C2 9520AB [0,1,0,1,0,0|2,0,0]=4 548 B12R2.203 O=C1COC2=CC=CC(Br)=C12 0563AA [0,1,0,1,0,0|1,0,0]=3 549 B12R2.203 O=C1COC2=CC=CC(F)=C12 5225AC [0,1,0,1,0,0|1,0,0]=3 550 B12R2.203 O=C1COC2=CC=CC(I)=C12 3473AA [0,1,0,1,0,0|1,0,0]=3 551 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [1,0,0,0,1,0|2,0,0]=4 552 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [1,0,0,0,1,0|2,0,0]=4