0 B12R2.612 CC1=CC2=C(C=C1)C(O)CC2 3976AB [0,0,0,0,0,0|3,0,0]=3 1 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 3272AJ [0,0,0,0,0,0|2,0,1]=3 2 B12R2.612 CC1=CCC2=C1C=CC(Br)=C2 Z8184 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 CN1CCC2=C1C=CC(N)=C2 9928AH [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 ClC1CCC2=C1C=CC(Br)=C2 7946AA [0,0,0,0,0,0|3,1,0]=4 5 B12R2.612 FC1=CC=C2C(=C1)ON=C2Cl W5831 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 NC1=CC2=C(C=C1)C(O)=NN2 6424AJ [0,0,0,0,0,0|4,0,0]=4 7 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 3412AA [0,0,0,0,0,0|3,1,0]=4 8 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 8358AH [0,0,0,0,0,0|3,1,0]=4 9 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5041AC [0,0,0,0,0,0|3,1,0]=4 10 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5425AC [0,0,0,0,0,0|3,1,0]=4 11 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 2906AL [0,0,0,0,0,0|1,1,1]=3 12 B11R2.1 NC1=NCC2=C1C=CC=C2 V4519 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 C126 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [1,0,0,0,0,0|3,0,0]=4 15 B11R2.36 BrC1=CC2=C(C=C1)COC2 3099AJ [1,0,0,0,0,0|1,1,0]=3 16 B11R2.36 ClC1=CC2=C(C=C1)CNC2 0868AC [1,0,0,0,0,0|2,1,0]=4 17 B11R2.36 ClC1=CC2=C(C=C1)CNC2 5317AA [1,0,0,0,0,0|2,1,0]=4 18 B11R2.36 ClC1=CC2=C(C=C1)CNC2 W9372 [1,0,0,0,0,0|2,1,0]=4 19 B11R2.36 FC1=CC2=C(C=C1)CCC2 Z4670 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z5776 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.36 FC1=CC2=C(C=C1)OCC2 1865AB [1,0,0,0,0,0|2,0,0]=3 22 B11R2.36 FC1=CC=C2NCCC2=C1 3212AJ [1,0,0,0,0,0|2,0,0]=3 23 B11R2.36 IC1=CC2=C(C=C1)CCC2 3759AD [1,0,0,0,0,0|2,1,0]=4 24 B11R2.36 IC1=CC2=C(C=C1)NCC2 3233AJ [1,0,0,0,0,0|2,1,0]=4 25 B11R2.36 IC1=CC=C2NCCC2=C1 3234AJ [1,0,0,0,0,0|2,1,0]=4 26 B11R2.36 NC1=CC2=C(C=C1)CNC2 6912AB [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 NC1=CC=C2CNCC2=C1 6301AB [1,0,0,0,0,0|3,0,0]=4 28 B11R2.36 OC1=CC2=NON=C2C=C1 Y4040 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.36 OC1=CC=C2OCCC2=C1 X7949 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.3108 FC1=CC2=C(C=C1)C(F)(F)CC2 5919AE [0,1,0,0,0,0|3,0,0]=4 31 B13R2.11634 O=C1CCC2=C1C=C(F)C(F)=C2 U551 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [0,0,1,0,0,0|3,0,0]=4 33 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [0,0,1,0,0,0|3,0,0]=4 34 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [0,0,1,0,0,0|3,0,0]=4 35 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,0,1,0,0,0|2,1,0]=4 36 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [0,0,1,0,0,0|3,0,0]=4 37 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [0,0,1,0,0,0|3,0,0]=4 38 B11R1.24 CC1=CC(CCCO)=CC=C1 3205AH [0,0,1,0,0,0|3,0,0]=4 39 B11R1.24 CNCCC1=CC=CC(F)=C1 V6333 [0,0,1,0,0,0|3,0,0]=4 40 B11R1.24 O=C=NCC1=CC=CC(F)=C1 7636AC [0,0,1,0,0,0|2,0,1]=4 41 B11R1.24 O=CCCC1=CC=CC(F)=C1 1852AB [0,0,1,0,0,0|2,0,1]=4 42 B11R1.24 OCCCC1=CC=CC(Cl)=C1 V4535 [0,0,1,0,0,0|2,1,0]=4 43 B11R1.37 CNC1=CC=C(Cl)C=C1CO V9502 [0,0,1,0,0,0|2,1,0]=4 44 B11R1.37 COC1=CC=C(C)C=C1CO Z0796 [0,0,1,0,0,0|3,0,0]=4 45 B11R1.37 FC1=CC=C(CBr)C(CBr)=C1 8154AB [0,0,1,0,0,0|3,0,0]=4 46 B11R1.166 CC1=C(B(O)O)C=CC(=O)N1 Y2876 [0,0,1,0,0,0|2,0,0]=3 47 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=N1 X0883 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.166 CC1=CC=C(B(O)O)C(F)=N1 Z1064 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.166 NC1=C(B(O)O)C=CC(Cl)=C1 6294AC [0,0,1,0,0,0|1,1,0]=3 50 B11R1.166 OB(O)C1=C(Br)C=C(Cl)N=C1 V9741 [0,0,1,0,0,0|2,1,0]=4 51 B11R1.166 OB(O)C1=C(Cl)C=C(Cl)C=N1 5654AA [0,0,1,0,0,0|2,1,0]=4 52 B11R1.166 OB(O)C1=C(Cl)C=C(Cl)N=C1 X1576 [0,0,1,0,0,0|2,1,0]=4 53 B11R1.166 OB(O)C1=CC=C(Br)C=C1Cl Y3588 [0,0,1,0,0,0|1,1,0]=3 54 B11R1.166 OB(O)C1=CC=C(Br)N=C1Br X1946 [0,0,1,0,0,0|2,1,0]=4 55 B11R1.166 OB(O)C1=CC=C(Br)N=C1F V8961 [0,0,1,0,0,0|2,1,0]=4 56 B11R1.166 OB(O)C1=CC=C(F)C=C1O V1926 [0,0,1,0,0,0|1,0,0]=2 57 B11R1.166 OB(O)C1=CC=C(O)C=C1F Z0159 [0,0,1,0,0,0|2,0,0]=3 58 B11R1.166 OB(O)C1=CN=C(Cl)C=C1Cl 1496AA [0,0,1,0,0,0|2,1,0]=4 59 B13R2.3683 CC1CCC2=C(C=CC(F)=C2)N1 Q055 [0,0,0,0,0,1|3,0,0]=4 60 B13R2.3683 O=C1NC2=CC=C(Br)C=C2CO1 0469AA [0,0,0,0,0,1|1,1,1]=4 61 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 5257AA [0,0,0,0,0,1|3,0,0]=4 62 B13R2.5179 N[C@H]1CCOC2=CC(F)=CC=C21 0514AA [0,0,0,0,0,1|3,0,0]=4 63 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [1,0,1,0,0,0|2,0,0]=4 64 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [1,0,1,0,0,0|2,0,0]=4 65 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [1,0,1,0,0,0|1,1,0]=4 66 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [1,0,1,0,0,0|2,0,0]=4 67 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [1,0,1,0,0,0|2,0,0]=4 68 B10R1.13 CC1=CN=C(B(O)O)C=C1 X0752 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.13 CC1=NC=C(B(O)O)C=C1 X0926 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.13 CC1=NC=C(B(O)O)C=C1 Z7105 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [1,0,1,0,0,0|1,1,0]=4 72 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [1,0,1,0,0,0|1,0,0]=3 73 B10R1.13 C[N+]1=CC=C(B(O)O)C=C1 V5501 [1,0,1,0,0,0|2,0,0]=4 74 B10R1.13 OB(O)C1=NC=C(F)C=C1 V9453 [1,0,1,0,0,0|1,0,0]=3 75 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,0,1,0,0,0|2,0,0]=4 76 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [1,0,1,0,0,0|2,0,0]=4 77 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [1,0,1,0,0,0|2,0,0]=4 78 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [1,0,1,0,0,0|1,1,0]=4 79 B10R1.20 OCC1=C(CBr)C=CC=C1 1625AC [1,0,1,0,0,0|2,0,0]=4 80 B10R1.25 CC1=C(CN)C=CC(F)=C1 2721AL [1,0,1,0,0,0|2,0,0]=4 81 B10R1.25 CC1=CC(C)=C(CO)C=C1 7829AJ [1,0,1,0,0,0|2,0,0]=4 82 B10R1.25 CC1=CC(N)=CC=C1CO 6079AJ [1,0,1,0,0,0|2,0,0]=4 83 B10R1.30 CC1=C(CCl)C=C(F)C=C1 7535AD [1,0,1,0,0,0|2,0,0]=4 84 B10R1.30 CC1=CC=C(O)C=C1CO Y3987 [1,0,1,0,0,0|2,0,0]=4 85 B10R1.30 NCC1=C(O)C=CC(N)=C1 2407AC [1,0,1,0,0,0|2,0,0]=4 86 B10R1.30 NCC1=CC(Br)=CC=C1O W7148 [1,0,1,0,0,0|1,1,0]=4 87 B10R1.30 NCC1=CC(F)=CC=C1N 1791AL [1,0,1,0,0,0|2,0,0]=4 88 B10R1.61 CC1=C(B(O)O)C=CN=C1 Z7108 [1,0,1,0,0,0|1,0,0]=3 89 B10R1.61 CC1=C(B([O-])O)N=CC=C1 X1814 [1,0,1,0,0,0|1,0,1]=4 90 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [1,0,1,0,0,0|2,0,0]=4 91 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.61 CC1=CC=CN=C1B(O)O V9249 [1,0,1,0,0,0|1,0,0]=3 93 B10R1.61 O=C1NC=CC=C1B(O)O 6351AC [1,0,1,0,0,0|2,0,0]=4 94 B10R1.61 OB(O)C1=C(Br)C=CN=C1 X1325 [1,0,1,0,0,0|2,0,0]=4 95 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 6244AB [1,0,1,0,0,0|2,0,0]=4 96 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 X1531 [1,0,1,0,0,0|2,0,0]=4 97 B10R1.61 OB(O)C1=CN=CC=C1F 3434AC [1,0,1,0,0,0|2,0,0]=4 98 B10R1.61 OB(O)C1=NC=CC=C1Cl X2960 [1,0,1,0,0,0|2,0,0]=4 99 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [2,0,0,0,0,0|1,1,0]=4 100 B10R2.7 C1=CC2=CON=C2C=C1 5069AL [2,0,0,0,0,0|1,0,1]=4 101 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 6069AB [0,1,1,0,0,0|1,0,1]=4 102 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 1293AL [0,1,1,0,0,0|2,0,0]=4 103 B12R1.385 OCCCC1=CC=C(F)C(F)=C1 X7959 [0,1,1,0,0,0|2,0,0]=4 104 B12R1.46 COC1=C(C(C)O)C=C(F)C=C1 1447AL [0,1,1,0,0,0|2,0,0]=4 105 B12R1.57 CSC1=CC(F)=CC=C1B(O)O V8172 [0,1,1,0,0,0|2,0,0]=4 106 B12R1.57 NCC1=CC(F)=CC=C1B(O)O X2397 [0,1,1,0,0,0|1,0,0]=3 107 B12R1.57 O=[N+]([O-])C1=C(CO)C=C(F)C=C1 V0285 [0,1,1,0,0,0|1,0,1]=4 108 B12R1.57 OB(O)C1=CC=C(F)C=C1CBr X2396 [0,1,1,0,0,0|1,0,0]=3 109 B12R1.268 OCCC1=CC(Br)=CC=C1CO Z9908 [0,1,1,0,0,0|1,1,0]=4 110 B12R1.448 OCC1=C(CO)C=C(Cl)C(Cl)=C1 8103AD [0,1,1,0,0,0|1,1,0]=4 111 B12R1.232 CC1=C(Cl)C=C(F)C(B(O)O)=C1 Z0509 [0,1,1,0,0,0|1,1,0]=4 112 B12R1.232 CC1=C(F)C=C(B(O)O)C(Cl)=C1 Y2303 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.232 CC1=CC(F)=C(B(O)O)C=C1Cl X1579 [0,1,1,0,0,0|2,0,0]=4 114 B12R1.232 CC1=CC(F)=C(C)C=C1B(O)O X1536 [0,1,1,0,0,0|0,0,0]=2 115 B12R1.232 CC1=CC(F)=C(F)C=C1B(O)O V3120 [0,1,1,0,0,0|0,0,0]=2 116 B12R1.232 NC1=C(Cl)C=C(Cl)C(B(O)O)=C1 V9485 [0,1,1,0,0,0|1,1,0]=4 117 B12R1.232 NC1=CC(B(O)O)=C(F)C=C1F X1732 [0,1,1,0,0,0|1,0,0]=3 118 B12R1.232 NC1=CC(F)=C(F)C=C1B(O)O Z7101 [0,1,1,0,0,0|1,0,0]=3 119 B12R1.232 OB(O)C1=CC(F)=C(Cl)C=C1Cl V3132 [0,1,1,0,0,0|1,1,0]=4 120 B12R1.232 OB(O)C1=CC(F)=C(F)C=C1O V3241 [0,1,1,0,0,0|1,0,0]=3 121 B12R1.232 OB(O)C1=CC(F)=C(O)C=C1F Y3922 [0,1,1,0,0,0|2,0,0]=4 122 B12R1.232 OB(O)C1=CC(O)=C(Cl)C=C1Cl X1880 [0,1,1,0,0,0|1,1,0]=4 123 B12R1.452 CC1=CC(CO)=CC=C1B(O)O Z0253 [0,1,1,0,0,0|1,0,0]=3 124 B12R1.452 N#CC1=CC=C(B(O)O)C(Cl)=C1 V7251 [0,1,1,0,0,0|2,0,0]=4 125 B12R1.452 N#CC1=CC=C(B(O)O)C(N)=C1 X2426 [0,1,1,0,0,0|2,0,0]=4 126 B12R1.452 OCC1=CC=C(B(O)O)C(F)=C1 Z9693 [0,1,1,0,0,0|2,0,0]=4 127 B12R1.893 CC1=C(F)C(B(O)O)=CC=C1Cl Z1146 [0,1,1,0,0,0|1,1,0]=4 128 B12R1.893 OB(O)C1=CC=C(Cl)C(Br)=C1F Y2473 [0,1,1,0,0,0|1,1,0]=4 129 B12R1.893 OB(O)C1=CC=C(Cl)C(O)=C1F Z1506 [0,1,1,0,0,0|1,1,0]=4 130 B12R1.893 OB(O)C1=CC=C(F)C(Cl)=C1F Z0062 [0,1,1,0,0,0|1,0,0]=3 131 B12R1.893 OB(O)C1=CC=C(F)C(I)=C1F Z1268 [0,1,1,0,0,0|1,0,0]=3 132 B12R1.1000 CC1=CC(Br)=CC(C)=C1B(O)O Y3733 [0,1,1,0,0,0|0,1,0]=3 133 B12R1.1000 CC1=CC(Cl)=C(B(O)O)C(Cl)=C1 Z1286 [0,1,1,0,0,0|2,0,0]=4 134 B12R1.1000 CC1=CC(F)=C(B(O)O)C(Br)=C1 Z1319 [0,1,1,0,0,0|2,0,0]=4 135 B12R1.1000 CC1=NC(Br)=CC(C)=C1B(O)O Z6938 [0,1,1,0,0,0|1,1,0]=4 136 B12R1.1000 OB(O)C1=C(Br)C=C(F)C=C1F Z0089 [0,1,1,0,0,0|1,0,0]=3 137 B12R1.1000 OB(O)C1=C(F)C=C(Cl)C=C1F V9186 [0,1,1,0,0,0|1,1,0]=4 138 B12R2.1 OCC1CCC2=C1C=CC=C2 5329AJ [1,1,0,0,0,0|2,0,0]=4 139 B12R2.18 NC1CC2=CC=CC=C2C1O 7525AA [1,1,0,0,0,0|2,0,0]=4 140 B12R2.132 OB1OCC2=C1C=C(O)C=C2 3393AA [1,1,0,0,0,0|0,0,0]=2 141 B12R2.196 O=C1OCC2=C(O)C=CC=C12 5863AA [1,1,0,0,0,0|1,0,1]=4 142 B12R2.2028 O=C1OC(Cl)C2=C1C=CC=C2 P813 [1,1,0,0,0,0|1,0,1]=4 143 B12R2.44 NCC1=CC2=C(C=C1)COC2 9619AH [1,1,0,0,0,0|2,0,0]=4 144 B12R2.44 O=CC1=CC=C2COCC2=C1 1516AL [1,1,0,0,0,0|2,0,0]=4 145 B12R2.606 NC1CC2=C(C=C(F)C=C2)C1 X6724 [1,1,0,0,0,0|2,0,0]=4 146 B12R2.24 BrC1=CC2=C(C=C1)OCOC2 2644AF [0,0,1,1,0,0|1,1,0]=4 147 B12R2.24 FC1=CC2=C(C=C1)OCCC2 2700AC [0,0,1,1,0,0|2,0,0]=4 148 B12R2.24 NC1=CC2=C(C=C1)OCOC2 7769AD [0,0,1,1,0,0|2,0,0]=4 149 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 9741AJ [1,0,0,1,0,0|2,0,0]=4 150 B10R1.59 CC1=CC(B(O)O)=C(C)S1 V3631 [0,0,1,0,1,0|2,0,0]=4