0 B12R2.612 FC1=CC2=C(C=C1)C(I)=NN2 Y5636 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.612 FC1=CC=C2C(=C1)ON=C2Cl W5831 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 W5631 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 W4579 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.612 NC1=NNC2=C1C=CC(F)=C2 B888 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 NC1=NOC2=CC(F)=CC=C21 W3884 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 NC1CCC2=CC(Br)=CC=C21 3110AJ [0,0,0,0,0,0|3,1,0]=4 7 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 Y5457 [0,0,0,0,0,0|2,1,1]=4 8 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 W8219 [0,0,0,0,0,0|2,1,1]=4 9 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 4957AA [0,0,0,0,0,0|2,0,1]=3 10 B12R2.612 O=C1NOC2=CC(F)=CC=C12 Z5429 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 2906AL [0,0,0,0,0,0|1,1,1]=3 12 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 V7370 [0,0,0,0,0,0|1,0,1]=2 13 B12R2.612 OB1OCC2=CC(F)=CC=C12 3338AH [0,0,0,0,0,0|0,0,0]=0 14 B12R2.612 OC1=NNC2=C1C=CC(Br)=C2 W9111 [0,0,0,0,0,0|3,1,0]=4 15 B11R2.1 CC1=CCC2=C1C=CC=C2 1962AC [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 NC1=NCC2=C1C=CC=C2 2334AL [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 NN1CCC2=C1C=CC=C2 3264AF [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 X8642 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 Z4595 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.1 OC1=NOC2=CC=CC=C21 W4501 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.1 OC1CCC2=CC=CN=C21 W6188 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 BrC1=CC2=C(C=C1)CCC2 W7361 [1,0,0,0,0,0|2,1,0]=4 24 B11R2.36 BrC1=CC2=C(C=C1)CNC2 W9520 [1,0,0,0,0,0|2,1,0]=4 25 B11R2.36 BrC1=CC2=C(C=C1)CNC2 X9690 [1,0,0,0,0,0|2,1,0]=4 26 B11R2.36 ClC1=CC2=C(C=C1)NCC2 U905 [1,0,0,0,0,0|2,1,0]=4 27 B11R2.36 ClC1=CC2=C(C=C1)NCC2 X8558 [1,0,0,0,0,0|2,1,0]=4 28 B11R2.36 FC1=CC2=C(C=C1)C=NN2 W5643 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.36 FC1=CC2=C(C=C1)CNC2 W7863 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.36 FC1=CC2=C(C=C1)NN=N2 6112AD [1,0,0,0,0,0|3,0,0]=4 31 B11R2.36 FC1=CC=C2C=CSC2=C1 W4310 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.36 FC1=CC=C2NC=NC2=C1 Y8134 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.36 FC1=CC=C2NCCC2=C1 1560AB [1,0,0,0,0,0|2,0,0]=3 34 B11R2.36 FC1=CC=C2SC=NC2=C1 V3651 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.36 IC1=CC=C2OCCC2=C1 5975AA [1,0,0,0,0,0|2,1,0]=4 36 B11R2.36 NC1=CC2=C(C=C1)COC2 Z4952 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.36 NC1=CC=C2OCCC2=C1 V2390 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.36 OC1=CC2=C(C=C1)CCC2 X3320 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.36 OC1=CC2=C(C=C1)NCC2 8845AA [1,0,0,0,0,0|3,0,0]=4 40 B11R2.36 OC1=CC2=NON=C2C=C1 Y4040 [1,0,0,0,0,0|3,0,0]=4 41 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 W8699 [0,1,0,0,0,0|2,0,1]=4 42 B13R2.11642 O=C1CCC2=CC(F)=CC(Br)=C12 6477AJ [0,1,0,0,0,0|2,0,1]=4 43 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Z7177 [0,0,1,0,0,0|2,0,1]=4 44 B11R1.24 CCNCC1=CC=CC(F)=C1 V8908 [0,0,1,0,0,0|3,0,0]=4 45 B11R1.24 CCOCC1=CC(Cl)=CC=C1 V7289 [0,0,1,0,0,0|2,1,0]=4 46 B11R1.24 FC1=CC=CC(CN=C=S)=C1 7121AE [0,0,1,0,0,0|2,1,0]=4 47 B11R1.24 OCCCC1=CC=CC(Br)=C1 V7142 [0,0,1,0,0,0|2,1,0]=4 48 B11R1.37 COC1=CC=C(F)C=C1CO X8293 [0,0,1,0,0,0|2,0,0]=3 49 B11R1.37 OCC1=C(CO)C=C(Br)C=C1 X3856 [0,0,1,0,0,0|1,1,0]=3 50 B11R1.166 CC(=O)C1=CC=C(F)C=C1C X8299 [0,0,1,0,0,0|2,0,1]=4 51 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 V1675 [0,0,1,0,0,0|2,0,1]=4 52 B11R1.166 CC1=C(C(=O)O)C=NC(F)=C1 Y4793 [0,0,1,0,0,0|2,0,1]=4 53 B11R1.166 CC1=CC(Br)=CC=C1B(O)O X0634 [0,0,1,0,0,0|0,1,0]=2 54 B11R1.166 CC1=CC(Cl)=NC=C1B(O)O X1455 [0,0,1,0,0,0|1,1,0]=3 55 B11R1.166 CC1=CC=C(B(O)O)C(C)=N1 V7334 [0,0,1,0,0,0|2,0,0]=3 56 B11R1.166 CC1=CC=C(B(O)O)C(F)=N1 Z1064 [0,0,1,0,0,0|3,0,0]=4 57 B11R1.166 CC1=NC(Cl)=CC=C1B(O)O Y4673 [0,0,1,0,0,0|1,1,0]=3 58 B11R1.166 OB(O)C1=CC=C(Br)C=C1Cl Y3588 [0,0,1,0,0,0|1,1,0]=3 59 B11R1.166 OB(O)C1=CC=C(Br)C=C1F X0626 [0,0,1,0,0,0|1,1,0]=3 60 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Br Z1311 [0,0,1,0,0,0|1,1,0]=3 61 B11R1.166 OB(O)C1=CC=C(Cl)C=C1O Z8731 [0,0,1,0,0,0|1,1,0]=3 62 B11R1.166 OB(O)C1=CC=C(Cl)N=C1F X1815 [0,0,1,0,0,0|2,1,0]=4 63 B11R1.166 OB(O)C1=CC=C(F)C=C1Br Y3859 [0,0,1,0,0,0|1,0,0]=2 64 B11R1.166 OB(O)C1=CC=C(F)C=C1O V1926 [0,0,1,0,0,0|1,0,0]=2 65 B11R1.166 OB(O)C1=CC=C(F)N=C1F X1577 [0,0,1,0,0,0|2,0,0]=3 66 B11R1.166 OB(O)C1=CC=C(O)C=C1Cl X0991 [0,0,1,0,0,0|2,0,0]=3 67 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 Z4565 [0,0,0,0,0,1|2,0,1]=4 68 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 X9046 [0,0,0,0,0,1|2,0,1]=4 69 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 0878AB [0,0,0,0,0,1|2,0,1]=4 70 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [1,0,1,0,0,0|1,1,0]=4 71 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.1 NOCC1=CC=C(F)C=C1 9348AA [1,0,1,0,0,0|2,0,0]=4 73 B10R1.13 CC(Br)C1=CC=C(F)C=C1 9966AB [1,0,1,0,0,0|2,0,0]=4 74 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 Z2196 [1,0,1,0,0,0|2,0,0]=4 75 B10R1.13 CC(N)C1=CC=C(F)C=C1 V5775 [1,0,1,0,0,0|2,0,0]=4 76 B10R1.13 CC(O)C1=CC=C(O)C=C1 Z4466 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.13 CN(C)C1=CC=C(F)C=C1 2692AE [1,0,1,0,0,0|2,0,0]=4 78 B10R1.13 CS(=O)C1=CC=C(F)C=C1 7689AJ [1,0,1,0,0,0|1,0,1]=4 79 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 W5396 [1,0,1,0,0,0|2,0,0]=4 80 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 1808AC [1,0,1,0,0,0|1,1,0]=4 81 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [1,0,1,0,0,0|1,1,0]=4 82 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 6983AC [1,0,1,0,0,0|1,1,0]=4 83 B10R1.13 NC1=NC=C(B(O)O)C=C1 V8073 [1,0,1,0,0,0|2,0,0]=4 84 B10R1.13 OB(O)C1=CC=C(S)C=C1 N820 [1,0,1,0,0,0|1,0,0]=3 85 B10R1.13 OB(O)C1=NC=C(Cl)C=C1 X0922 [1,0,1,0,0,0|1,1,0]=4 86 B10R1.13 OB(O)C1=NC=C(F)C=C1 V9453 [1,0,1,0,0,0|1,0,0]=3 87 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,0,1,0,0,0|2,0,0]=4 88 B10R1.15 COS(=O)C1=CC=CC=C1 0314AC [1,0,1,0,0,0|1,0,1]=4 89 B10R1.10 C=CCC1=CC(F)=CC=C1 9816AD [1,0,1,0,0,0|2,0,0]=4 90 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,0,1,0,0,0|2,0,0]=4 91 B10R1.10 COCC1=CC(Br)=CC=C1 Z0210 [1,0,1,0,0,0|1,1,0]=4 92 B10R1.10 COCC1=CC(N)=CC=C1 V6465 [1,0,1,0,0,0|2,0,0]=4 93 B10R1.10 NC1=CC(CCO)=CC=C1 7359AB [1,0,1,0,0,0|2,0,0]=4 94 B10R1.10 NOCC1=CC=CC(F)=C1 7198AB [1,0,1,0,0,0|1,0,0]=3 95 B10R1.10 OCCC1=CC(O)=CC=C1 X9865 [1,0,1,0,0,0|2,0,0]=4 96 B10R1.10 OCCC1=CC=CC(Cl)=C1 X8323 [1,0,1,0,0,0|1,1,0]=4 97 B10R1.17 C=COCC1=CC=CC=C1 1335AL [1,0,1,0,0,0|2,0,0]=4 98 B10R1.17 CCOCC1=CC=CC=C1 S562 [1,0,1,0,0,0|2,0,0]=4 99 B10R1.20 N#CC1=CC=CC=C1CO X8400 [1,0,1,0,0,0|2,0,0]=4 100 B10R1.25 CC1=C(CBr)C=CC(F)=C1 3485AC [1,0,1,0,0,0|2,0,0]=4 101 B10R1.25 CC1=CC(Cl)=CC=C1CO Z0039 [1,0,1,0,0,0|1,1,0]=4 102 B10R1.25 CC1=NC(F)=CC=C1CO Z0987 [1,0,1,0,0,0|2,0,0]=4 103 B10R1.25 CSC1=CC=C(F)C=C1C Z0086 [1,0,1,0,0,0|2,0,0]=4 104 B10R1.25 OCC1=C(O)C=C(Br)C=C1 8742AA [1,0,1,0,0,0|1,1,0]=4 105 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 8836AH [1,0,1,0,0,0|1,1,0]=4 106 B10R1.30 CC1=CC(CO)=C(O)C=C1 9929AL [1,0,1,0,0,0|1,0,0]=3 107 B10R1.30 CC1=CC=C(N)C(CO)=C1 4982AH [1,0,1,0,0,0|2,0,0]=4 108 B10R1.30 CC1=CC=C(O)C(CO)=N1 5804AB [1,0,1,0,0,0|2,0,0]=4 109 B10R1.30 CCC1=CC(F)=CC=C1O 5252AB [1,0,1,0,0,0|1,0,0]=3 110 B10R1.30 COC1=CC(F)=CC=C1O L719 [1,0,1,0,0,0|2,0,0]=4 111 B10R1.30 FC1=CC(CCl)=C(Br)C=C1 3337AC [1,0,1,0,0,0|2,0,0]=4 112 B10R1.30 FC1=CC=C(F)C(CCl)=C1 X2647 [1,0,1,0,0,0|2,0,0]=4 113 B10R1.30 N#CC1=CC(F)=CC=C1O 5308AC [1,0,1,0,0,0|1,0,1]=4 114 B10R1.30 NC1=CC=C(Br)C=C1CO W4349 [1,0,1,0,0,0|1,1,0]=4 115 B10R1.30 NC1=CC=C(Cl)C(CO)=C1 W9276 [1,0,1,0,0,0|2,0,0]=4 116 B10R1.30 NC1=CC=C(F)C(CO)=C1 3074AC [1,0,1,0,0,0|2,0,0]=4 117 B10R1.30 NC1=CC=C(F)C=C1CO V7594 [1,0,1,0,0,0|1,0,0]=3 118 B10R1.30 NCC1=CC(F)=CC=C1Br X8378 [1,0,1,0,0,0|2,0,0]=4 119 B10R1.30 NCC1=CC(F)=CC=C1Cl X8192 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.30 OCC1=C(Br)C=CC(Br)=C1 7297AA [1,0,1,0,0,0|1,1,0]=4 121 B10R1.30 OCC1=C(Cl)C=CC(Cl)=C1 1913AL [1,0,1,0,0,0|1,1,0]=4 122 B10R1.30 OCC1=CC(Br)=CC=C1Cl V3435 [1,0,1,0,0,0|1,1,0]=4 123 B10R1.30 OCC1=CC(Br)=CC=C1F W9884 [1,0,1,0,0,0|1,1,0]=4 124 B10R1.30 OCC1=CC(Cl)=CC=C1O 5066AE [1,0,1,0,0,0|0,1,0]=3 125 B10R1.30 OCC1=CC(F)=CC=C1F N598 [1,0,1,0,0,0|1,0,0]=3 126 B10R1.61 CC1=CC=CN=C1B(O)O V9249 [1,0,1,0,0,0|1,0,0]=3 127 B10R1.61 CC1=NC=CC=C1B(O)O W9274 [1,0,1,0,0,0|1,0,0]=3 128 B10R1.61 CC1=NC=CC=C1B(O)O Z7106 [1,0,1,0,0,0|1,0,0]=3 129 B10R1.61 OB(O)C1=C(Cl)C=NC=C1 X9631 [1,0,1,0,0,0|2,0,0]=4 130 B10R1.61 OB(O)C1=C(F)C=NC=C1 Y6850 [1,0,1,0,0,0|2,0,0]=4 131 B10R1.61 OB(O)C1=CC=CC=C1I Y3509 [1,0,1,0,0,0|1,0,0]=3 132 B10R2.7 C1=CC2=C(C=C1)COC2 6725AB [2,0,0,0,0,0|1,0,0]=3 133 B12R1.367 COC(=O)C1=CC=C(F)C(Br)=C1 V7890 [0,1,1,0,0,0|1,0,1]=4 134 B12R1.367 COC(=O)C1=CC=C(F)C(N)=C1 W5803 [0,1,1,0,0,0|1,0,1]=4 135 B12R1.367 COC(=O)C1=CC=C(F)C(O)=C1 Z0379 [0,1,1,0,0,0|1,0,1]=4 136 B12R1.1703 COC(=O)C1=CC=C(F)C=C1C X2849 [0,1,1,0,0,0|1,0,1]=4 137 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O X3093 [0,1,1,0,0,0|1,0,1]=4 138 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F258 [0,1,1,0,0,0|2,0,0]=4 139 B12R1.57 CSC1=CC(F)=CC=C1B(O)O V8172 [0,1,1,0,0,0|2,0,0]=4 140 B12R1.57 N#CC1=C(B(O)O)C=CC(F)=C1 3924AC [0,1,1,0,0,0|1,0,1]=4 141 B12R1.57 NCC1=CC(F)=CC=C1B(O)O X2397 [0,1,1,0,0,0|1,0,0]=3 142 B12R1.57 O=CC1=CC(F)=CC=C1B(O)O V7882 [0,1,1,0,0,0|0,0,2]=4 143 B12R1.57 OB(O)C1=CC=C(F)C=C1CBr X2396 [0,1,1,0,0,0|1,0,0]=3 144 B12R1.57 OCC1=CC(F)=CC=C1B(O)O Z6840 [0,1,1,0,0,0|0,0,0]=2 145 B12R1.232 CC1=C(Br)C=C(B(O)O)C(F)=C1 Z1178 [0,1,1,0,0,0|2,0,0]=4 146 B12R1.232 CC1=C(F)C=C(F)C(B(O)O)=C1 Y4615 [0,1,1,0,0,0|1,0,0]=3 147 B12R1.232 CC1=CC(F)=C(F)C=C1C(=O)O 9597AA [0,1,1,0,0,0|1,0,1]=4 148 B12R1.232 OB(O)C1=C(Cl)C=C(Cl)C(Cl)=C1 1147AB [0,1,1,0,0,0|1,1,0]=4 149 B12R1.232 OB(O)C1=CC(Cl)=C(F)C=C1F Z1075 [0,1,1,0,0,0|1,0,0]=3 150 B12R1.452 CC1=CC(C#N)=CC=C1B(O)O X0701 [0,1,1,0,0,0|1,0,0]=3 151 B12R1.452 CC1=C\C(=N\O)CC=C1B(O)O Z0289 [0,1,1,0,0,0|1,0,1]=4 152 B12R1.452 N#CC1=CC(F)=C(B(O)O)C=C1 X1637 [0,1,1,0,0,0|2,0,0]=4 153 B12R1.452 O=CC1=CC=C(B(O)O)C(Cl)=C1 Z6849 [0,1,1,0,0,0|2,0,0]=4 154 B12R1.452 OCC1=CC=C(B(O)O)C(F)=C1 Z9693 [0,1,1,0,0,0|2,0,0]=4 155 B12R1.893 CC1=C(C)C(B(O)O)=CC=C1F X0608 [0,1,1,0,0,0|0,0,0]=2 156 B12R1.893 CC1=C(Cl)C(Cl)=CC=C1B(O)O V9672 [0,1,1,0,0,0|0,1,0]=3 157 B12R1.893 CC1=CC=C(B(O)O)C(F)=C1F V6287 [0,1,1,0,0,0|2,0,0]=4 158 B12R1.893 OB(O)C1=CC=C(Br)C(F)=C1F X0758 [0,1,1,0,0,0|1,1,0]=4 159 B12R1.893 OB(O)C1=CC=C(O)C(F)=C1F Y3986 [0,1,1,0,0,0|2,0,0]=4 160 B12R1.1000 CC1=C(C(=O)O)C(Br)=CC(F)=C1 X4312 [0,1,1,0,0,0|1,0,1]=4 161 B12R1.1000 CC1=CC(Cl)=CC(C)=C1B(O)O X1499 [0,1,1,0,0,0|0,1,0]=3 162 B12R1.1000 OB(O)C1=C(Cl)C=C(Cl)C=C1Cl X0970 [0,1,1,0,0,0|1,1,0]=4 163 B12R1.1000 OB(O)C1=C(F)C=C(Br)C=C1F V1934 [0,1,1,0,0,0|1,1,0]=4 164 B12R1.1000 OB(O)C1=C(F)C=C(O)C=C1F Z1187 [0,1,1,0,0,0|2,0,0]=4 165 B12R2.1 COC1OCC2=CC=CC=C21 4557AL [1,1,0,0,0,0|1,0,0]=3 166 B12R2.18 OC1C2=C(C=CC=C2)CC1Br 7739AB [1,1,0,0,0,0|2,0,0]=4 167 B12R2.18 OC1CC2=C(C=CC=C2)C1O 4451AL [1,1,0,0,0,0|2,0,0]=4 168 B12R2.132 NC1=CC2=C(C=C1)COB2O Z7808 [1,1,0,0,0,0|0,0,0]=2 169 B12R2.132 NC1=CC=C2COB(O)C2=C1 Z7809 [1,1,0,0,0,0|0,0,0]=2 170 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 0125AB [1,1,0,0,0,0|1,0,1]=4 171 B12R2.132 O=C1OCC2=CC=C(I)C=C12 7705AB [1,1,0,0,0,0|1,0,1]=4 172 B12R2.196 NC1=CC=CC2=C1COC2=O W7234 [1,1,0,0,0,0|1,0,1]=4 173 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 X8605 [1,1,0,0,0,0|1,0,1]=4 174 B12R2.196 O=C1OCC2=C1C=CC=C2Cl 6148AJ [1,1,0,0,0,0|1,0,1]=4 175 B12R2.196 OC1CCC2=C1C=CC=C2Br 8482AA [1,1,0,0,0,0|2,0,0]=4 176 B12R2.100 FC1=CC2=C(C=C1F)NCC2 W9745 [1,1,0,0,0,0|2,0,0]=4 177 B12R2.606 CC1CC2=C(C=CC(F)=C2)N1 2765AC [1,1,0,0,0,0|2,0,0]=4 178 B10R1.59 CC1=CC(B(O)O)=C(C)S1 V3631 [0,0,1,0,1,0|2,0,0]=4 179 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 5544AB [0,0,1,0,0,1|1,0,1]=4