0 B11R2.1 BrC1=CNC2=C1C=NC=C2 Y8381 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.1 BrC1=CSC2=CC=CN=C12 2224AJ [0,0,0,0,0,0|3,1,0]=4 3 B11R2.1 BrC1=NN=C2C=CC=CN12 W6495 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 BrC1=NNC2=C1C=NC=C2 W7532 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 BrC1=NNC2=NC=CC=C12 Z2701 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.1 BrC1=NOC2=C1C=CC=C2 5187AA [0,0,0,0,0,0|1,0,0]=1 7 B11R2.1 BrC1=NSC2=NC=CN=C12 W9335 [0,0,0,0,0,0|3,1,0]=4 8 B11R2.1 CC1=NN=C2C=CC=CN12 1751AA [0,0,0,0,0,0|3,0,0]=3 9 B11R2.1 CC1=NN=C2C=CC=CN12 Z3789 [0,0,0,0,0,0|3,0,0]=3 10 B11R2.1 ClC1=CNC2=NC=CC=C12 Y5559 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 ClC1=NNC2=C1C=CC=N2 2394AL [0,0,0,0,0,0|3,0,0]=3 12 B11R2.1 ClC1=NNC2=C1C=CN=C2 1816AC [0,0,0,0,0,0|3,0,0]=3 13 B11R2.1 IC1=CNC2=C1C=NC=C2 W9006 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.1 IC1=NNC2=CN=CC=C21 1640AA [0,0,0,0,0,0|3,0,0]=3 15 B11R2.1 NC1=C2C=CC=CN2N=C1 6489AA [0,0,0,0,0,0|4,0,0]=4 16 B11R2.1 NC1=C2C=CC=CN2N=C1 6617AA [0,0,0,0,0,0|4,0,0]=4 17 B11R2.1 NC1=C2C=CC=NC2=NS1 2145AJ [0,0,0,0,0,0|4,0,0]=4 18 B11R2.1 NC1=CSC2=C1C=NC=C2 X4948 [0,0,0,0,0,0|3,1,0]=4 19 B11R2.1 NC1=CSC2=CC=CC=C12 W5550 [0,0,0,0,0,0|2,1,0]=3 20 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [0,0,0,0,0,0|2,1,0]=3 21 B11R2.1 NC1=CSC2=CC=CN=C12 Y5227 [0,0,0,0,0,0|3,1,0]=4 22 B11R2.1 NC1=NN=C2C=CC=CN12 1963AC [0,0,0,0,0,0|3,0,0]=3 23 B11R2.1 NC1=NNC2=CC=CN=C21 0374AB [0,0,0,0,0,0|3,0,0]=3 24 B11R2.1 NC1=NOC2=NC=CC=C12 V9236 [0,0,0,0,0,0|2,0,0]=2 25 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,0,0,0,0,0|2,0,1]=3 26 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,0,0,0,0,0|2,0,1]=3 27 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [0,0,0,0,0,0|2,0,1]=3 28 B11R2.1 O=C1CCC2=NC=CC=C12 4182AA [0,0,0,0,0,0|3,0,1]=4 29 B11R2.1 O=C1COC2=CN=CC=C12 4128AJ [0,0,0,0,0,0|2,0,1]=3 30 B11R2.1 O=C1NCC2=C1C=CN=C2 1363AJ [0,0,0,0,0,0|2,0,2]=4 31 B11R2.1 O=C1NNC2=CC=CN=C12 7206AB [0,0,0,0,0,0|2,0,2]=4 32 B11R2.1 O=C1NNC2=NC=CC=C12 Z4567 [0,0,0,0,0,0|2,0,2]=4 33 B11R2.1 OC1=NOC2=C1CCNC2 7955AL [0,0,0,0,0,0|1,0,3]=4 34 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [0,0,0,0,0,0|2,0,1]=3 35 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [0,0,0,0,0,0|3,0,1]=4 36 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,0,0,0|2,0,1]=4 37 B10R2.7 C1=CC2=C(C=N1)OC=C2 Y5330 [1,0,0,0,0,0|2,0,0]=3 38 B10R2.7 C1=CC2=C(C=NN2)N=C1 2555AB [1,0,0,0,0,0|2,0,0]=3 39 B10R2.7 C1=CC2=CC=CN2C=C1 2610AB [1,0,0,0,0,0|3,0,0]=4 40 B10R2.7 C1=CC2=NN=NN2C=C1 2620AB [1,0,0,0,0,0|3,0,0]=4 41 B10R2.7 C1=CN2C=NC=C2C=N1 2612AB [1,0,0,0,0,0|3,0,0]=4 42 B10R2.7 C1=CN=C2OC=NC2=C1 7311AJ [1,0,0,0,0,0|3,0,0]=4 43 B12R2.1 BrCC1=CSC2=C1C=CC=C2 2251AL [0,1,0,0,0,0|2,1,0]=4 44 B12R2.1 BrCC1=NOC2=C1C=CC=C2 X6921 [0,1,0,0,0,0|1,0,0]=2 45 B12R2.1 COC1=NNC2=CC=CC=C21 9664AA [0,1,0,0,0,0|1,0,0]=2 46 B12R2.1 N#CC1=NNC2=C1C=CC=N2 6483AC [0,1,0,0,0,0|3,0,0]=4 47 B12R2.1 N#CN1N=NC2=CC=CC=C21 Y1513 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.1 NCC1=CSC2=CC=CC=C12 Y9464 [0,1,0,0,0,0|2,1,0]=4 49 B12R2.1 NCC1=NNC2=C1C=CC=C2 W8549 [0,1,0,0,0,0|2,0,0]=3 50 B12R2.1 NCC1=NNC2=CC=CC=C21 4191AH [0,1,0,0,0,0|2,0,0]=3 51 B12R2.1 O=CC1=COC2=C1C=CC=N2 1820AA [0,1,0,0,0,0|2,0,1]=4 52 B12R2.1 O=CC1=NNC2=C1C=CC=C2 5134AJ [0,1,0,0,0,0|1,0,1]=3 53 B12R2.1 O=CC1=NNC2=NC=CC=C12 0313AA [0,1,0,0,0,0|2,0,1]=4 54 B12R2.1 OCC1=C2C=CC=CN2N=C1 Y7181 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.1 OCC1=CN=C2C=CC=CN12 3204AB [0,1,0,0,0,0|3,0,0]=4 56 B12R2.1 OCC1=CN=C2C=CC=CN12 Y8615 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.1 OCC1=COC2=CC=CC=C12 6401AB [0,1,0,0,0,0|1,0,0]=2 58 B12R2.1 O\N=C1/COC2=CC=CC=C21 0178AF [0,1,0,0,0,0|1,0,0]=2 59 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 4843AB [0,1,0,0,0,0|2,0,0]=3 60 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [0,1,0,0,0,0|2,0,1]=4 61 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@@H]1Br 0883AA [0,1,0,0,0,0|2,0,1]=4 62 B12R2.132 BrC1=CC=C2OC=C(Br)C2=C1 Y4899 [0,1,0,0,0,0|2,0,0]=3 63 B12R2.132 CC1=CC2=C(C=C1)CCC2O 0306AB [0,1,0,0,0,0|2,0,1]=4 64 B12R2.132 CC1=CC2=C(C=C1)NN=C2Br Y9031 [0,1,0,0,0,0|2,0,0]=3 65 B12R2.132 CC1=CC2=C(C=C1)ON=C2N 4945AC [0,1,0,0,0,0|1,0,0]=2 66 B12R2.132 CC1=CC2=C(C=C1)ONC2=O 0075AC [0,1,0,0,0,0|0,0,2]=3 67 B12R2.132 CC1=CSC2=CC=C(Br)C=C12 X9386 [0,1,0,0,0,0|2,1,0]=4 68 B12R2.132 CC1=NOC2=CC=C(N)C=C21 Z5192 [0,1,0,0,0,0|1,0,0]=2 69 B12R2.132 CN1N=CC2=C1C=C(Cl)C=C2 Y5770 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.132 CN1N=NC2=C1C=C(Br)C=C2 6157AC [0,1,0,0,0,0|3,0,0]=4 71 B12R2.132 CN1N=NC2=CC=C(F)C=C21 V3331 [0,1,0,0,0,0|3,0,0]=4 72 B12R2.132 ClC1=CC2=C(C=C1)NC=C2Br 3152AC [0,1,0,0,0,0|3,0,0]=4 73 B12R2.132 ClC1=CC2=C(C=C1)NN=C2Br Y4530 [0,1,0,0,0,0|2,0,0]=3 74 B12R2.132 ClC1=CC2=C(C=N1)NN=C2I 3188AJ [0,1,0,0,0,0|3,0,0]=4 75 B12R2.132 ClC1=CC=C2NN=C(Cl)C2=C1 Z2667 [0,1,0,0,0,0|2,0,0]=3 76 B12R2.132 ClC1=CN=C2NN=C(I)C2=C1 3187AJ [0,1,0,0,0,0|3,0,0]=4 77 B12R2.132 ClC1=NOC2=C1C=C(Br)C=C2 5353AB [0,1,0,0,0,0|1,0,0]=2 78 B12R2.132 FC1=CC2=C(C=C1)NN=C2Br Y5630 [0,1,0,0,0,0|2,0,0]=3 79 B12R2.132 FC1=CC=C2ON=C(Cl)C2=C1 W3891 [0,1,0,0,0,0|1,0,0]=2 80 B12R2.132 NC1=CC2=C(C=C1)NN=C2Cl Y9056 [0,1,0,0,0,0|2,0,0]=3 81 B12R2.132 NC1=CC2=C(C=C1)NNC2=O 4886AC [0,1,0,0,0,0|1,0,2]=4 82 B12R2.132 NC1=CC2=C(C=C1)ONC2=O 1421AC [0,1,0,0,0,0|0,0,2]=3 83 B12R2.132 NC1=CN=C2NN=C(Br)C2=C1 X9264 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.132 NC1=NNC2=C1C=C(Cl)C=C2 B901 [0,1,0,0,0,0|2,0,0]=3 85 B12R2.132 NC1=NNC2=C1C=C(F)C=N2 0832AA [0,1,0,0,0,0|3,0,0]=4 86 B12R2.132 NC1=NNC2=C1C=C(I)C=C2 B894 [0,1,0,0,0,0|2,0,0]=3 87 B12R2.132 NC1=NOC2=CC=C(F)C=C21 5444AC [0,1,0,0,0,0|1,0,0]=2 88 B12R2.132 NC1COC2=CC=C(Br)C=C21 3114AJ [0,1,0,0,0,0|2,0,1]=4 89 B12R2.132 NC1COC2=CC=C(Cl)C=C21 3180AJ [0,1,0,0,0,0|2,0,1]=4 90 B12R2.132 NC1COC2=CC=C(F)C=C21 5848AH [0,1,0,0,0,0|2,0,1]=4 91 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 W5443 [0,1,0,0,0,0|1,0,1]=3 92 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 0124AC [0,1,0,0,0,0|1,0,2]=4 93 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 8589AB [0,1,0,0,0,0|1,0,2]=4 94 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 1873AB [0,1,0,0,0,0|0,0,2]=3 95 B12R2.132 O=C1OCC2=CC=C(F)C=C12 1691AB [0,1,0,0,0,0|2,0,1]=4 96 B12R2.132 OB1OCC2=C1C=C(O)C=C2 3393AA [0,1,0,0,0,0|3,0,0]=4 97 B12R2.132 SC1=NN=C2C=CC(Br)=CN12 Z7255 [0,1,0,0,0,0|2,1,0]=4 98 B12R2.196 CC1=C2NN=C(N)C2=CC=C1 5808AJ [0,1,0,0,0,0|2,0,0]=3 99 B12R2.196 CC1=CC=CC2=C1NN=C2Br Y4524 [0,1,0,0,0,0|2,0,0]=3 100 B12R2.196 CC1=CC=CC2=C1NN=C2I Y4209 [0,1,0,0,0,0|2,0,0]=3 101 B12R2.196 CC1=CNC2=C(Br)C=CC=C12 3679AC [0,1,0,0,0,0|3,0,0]=4 102 B12R2.196 CC1=NNC2=C1C=CC=C2O X9041 [0,1,0,0,0,0|2,0,0]=3 103 B12R2.196 CN1N=CC2=C1C=CC=C2F Y5189 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.196 CN1N=CC2=C1C=CC=C2I W9622 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.196 CN1N=CC2=C1C=CC=C2O Y7541 [0,1,0,0,0,0|3,0,0]=4 106 B12R2.196 ClC1=CC=CC2=C1NN=C2I V8643 [0,1,0,0,0,0|2,0,0]=3 107 B12R2.196 ClC1=NNC2=C1C=CC=C2Br Y4498 [0,1,0,0,0,0|2,0,0]=3 108 B12R2.196 NC1=CC=CC2=C1NN=C2Cl Y8687 [0,1,0,0,0,0|2,0,0]=3 109 B12R2.196 NC1=NNC2=C1C=CC=C2Cl B899 [0,1,0,0,0,0|2,0,0]=3 110 B12R2.196 NC1=NOC2=C(F)C=CC=C12 2445AB [0,1,0,0,0,0|1,0,0]=2 111 B12R2.196 O=C1COC2=C1C=CC=C2Cl 3655AB [0,1,0,0,0,0|1,0,1]=3 112 B12R2.196 O=C1COC2=C1C=CC=C2F 6026AC [0,1,0,0,0,0|1,0,1]=3 113 B12R2.196 O=C1NNC2=C1C=CC=C2F X3694 [0,1,0,0,0,0|1,0,2]=4 114 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 5201AB [0,1,0,0,0,0|2,0,1]=4 115 B12R2.203 CC1=C2C(=O)NCC2=CC=C1 3731AJ [0,1,0,0,0,0|1,0,2]=4 116 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 8466AA [0,1,0,0,0,0|2,0,0]=3 117 B12R2.203 CC1=NNC2=CC=CC(F)=C21 0172AC [0,1,0,0,0,0|2,0,0]=3 118 B12R2.203 CN1N=CC2=C1C(F)=CC=C2 Z8002 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.203 ClC1=CC=CC2=C1C(Br)=NN2 Y4529 [0,1,0,0,0,0|2,0,0]=3 120 B12R2.203 ClC1=CC=CC2=C1C(I)=NN2 Y9303 [0,1,0,0,0,0|2,0,0]=3 121 B12R2.203 ClC1=NNC2=C1C(Br)=CC=C2 X8462 [0,1,0,0,0,0|2,0,0]=3 122 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl 1897AB [0,1,0,0,0,0|1,0,0]=2 123 B12R2.203 FC1=CC=CC2=C1C(Br)=NN2 Y4531 [0,1,0,0,0,0|2,0,0]=3 124 B12R2.203 NC1=C2C(=CC=C1)NN=C2Cl 8047AJ [0,1,0,0,0,0|2,0,0]=3 125 B12R2.203 NC1=C2C(Br)=COC2=CC=N1 2485AC [0,1,0,0,0,0|3,0,0]=4 126 B12R2.203 NC1=CC=CC2=C1C(=O)CC2 Y5493 [0,1,0,0,0,0|2,0,1]=4 127 B12R2.203 NC1=NN=C2C=CC=C(Cl)N12 Y6347 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.203 NC1=NNC2=C1C(Cl)=CC=C2 W4381 [0,1,0,0,0,0|2,0,0]=3 129 B12R2.203 O=C1CCC2=C1C(I)=CC=C2 9520AB [0,1,0,0,0,0|2,0,1]=4 130 B12R2.203 O=C1COC2=CC=CC(Br)=C12 0563AA [0,1,0,0,0,0|1,0,1]=3 131 B12R2.203 O=C1COC2=CC=CC(F)=C12 5225AC [0,1,0,0,0,0|1,0,1]=3 132 B12R2.203 O=C1COC2=CC=CC(I)=C12 3473AA [0,1,0,0,0,0|1,0,1]=3 133 B12R2.203 O=C1NNC2=CC=CC(F)=C12 X3692 [0,1,0,0,0,0|1,0,2]=4 134 B12R2.203 O=C1OCC2=CC=CC(Cl)=C12 6485AJ [0,1,0,0,0,0|2,0,1]=4 135 B12R2.612 BrC1=CC2=C(C=C1)C(Br)=NN2 4376AC [0,1,0,0,0,0|2,0,0]=3 136 B12R2.612 BrC1=CC=C2C(I)=NNC2=N1 Y5271 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.612 BrC1=CN=C2C(=C1)NN=C2I 5574AA [0,1,0,0,0,0|3,0,0]=4 138 B12R2.612 CC1=CC2=C(C=C1)C(O)CC2 3976AB [0,1,0,0,0,0|2,0,1]=4 139 B12R2.612 CC1=CC=C2C(=C1)NN=C2Cl 5317AH [0,1,0,0,0,0|2,0,0]=3 140 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 3272AJ [0,1,0,0,0,0|2,0,1]=4 141 B12R2.612 CC1=NC2=C(C=C1)C(N)=NN2 Z3048 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.612 CC1=NN=C2C=C(N)C=CN12 3903AA [0,1,0,0,0,0|3,0,0]=4 143 B12R2.612 CC1=NNC2=C1C=CC(O)=C2 W4256 [0,1,0,0,0,0|2,0,0]=3 144 B12R2.612 CC1=NNC2=C1C=NC(Cl)=C2 Y5173 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.612 CC1=NOC2=CC(Cl)=CC=C21 V7165 [0,1,0,0,0,0|1,0,0]=2 146 B12R2.612 CN1N=NC2=C1C=CC(N)=C2 9012AD [0,1,0,0,0,0|3,0,0]=4 147 B12R2.612 ClC1=CC2=C(C=C1)C(Br)=NN2 Y4528 [0,1,0,0,0,0|2,0,0]=3 148 B12R2.612 ClC1=CC=C2C(I)=NNC2=N1 3509AJ [0,1,0,0,0,0|3,0,0]=4 149 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 4591AA [0,1,0,0,0,0|1,0,0]=2 150 B12R2.612 FC1=CC2=C(C=C1)C(Br)=NN2 Y5635 [0,1,0,0,0,0|2,0,0]=3 151 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 1199AB [0,1,0,0,0,0|1,0,2]=4 152 B12R2.612 NC1=CC2=C(C=C1)C(I)=NN2 Y5631 [0,1,0,0,0,0|2,0,0]=3 153 B12R2.612 NC1=CC2=C(C=C1)C(O)=NN2 6424AJ [0,1,0,0,0,0|1,0,0]=2 154 B12R2.612 NC1=NOC2=CC(Cl)=CC=C21 V8834 [0,1,0,0,0,0|1,0,0]=2 155 B12R2.612 NC1COC2=C1C=CC(Br)=C2 6155AC [0,1,0,0,0,0|2,0,1]=4 156 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 Z4499 [0,1,0,0,0,0|1,0,2]=4 157 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 Z5210 [0,1,0,0,0,0|1,0,2]=4 158 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 3977AB [0,1,0,0,0,0|2,0,1]=4 159 B12R2.2028 CN1N=C(Br)C2=CC=CC=C21 V2198 [0,1,0,0,0,0|2,0,0]=3 160 B12R2.2028 CN1N=C(I)C2=CC=CN=C21 2437AL [0,1,0,0,0,0|3,0,0]=4 161 B10R1.15 C#CC(=O)C1=CC=CC=C1 0047AQ [0,0,1,0,0,0|2,0,1]=4 162 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [0,0,1,0,0,0|2,0,1]=4 163 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [0,0,1,0,0,0|2,0,1]=4 164 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,0,1,0,0,0|3,0,0]=4 165 B10R1.15 CN(N=O)C1=CC=CC=C1 8617AL [0,0,1,0,0,0|2,0,1]=4 166 B10R1.15 C[C@H](CO)C1=CC=CC=C1 4835AB [0,0,1,0,0,0|2,0,1]=4 167 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,0,1,0,0,0|2,0,0]=3 168 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,0,1,0,0,0|0,0,3]=4 169 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,0,1,0,0,0|2,0,1]=4 170 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [0,0,1,0,0,0|1,0,1]=3 171 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [0,0,1,0,0,0|1,0,2]=4 172 B10R1.20 CNC1=C(C=O)C=CC=C1 2162AC [0,0,1,0,0,0|2,0,1]=4 173 B10R1.20 COC1=CC=CC=C1CCl X2210 [0,0,1,0,0,0|2,0,1]=4 174 B10R1.20 COC1=CC=CN=C1CO 8653AH [0,0,1,0,0,0|2,0,1]=4 175 B10R1.20 O=CC1=C(CCl)C=CC=C1 1257AJ [0,0,1,0,0,0|2,0,1]=4 176 B10R1.20 OCC1=C(CBr)C=CC=C1 1625AC [0,0,1,0,0,0|2,0,1]=4 177 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,0,1,0,0,0|3,0,0]=4 178 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [0,0,1,0,0,0|2,0,1]=4 179 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,0,1,0,0,0|2,0,1]=4 180 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 6296AA [0,0,1,0,0,0|2,0,1]=4 181 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [0,0,1,0,0,0|3,0,0]=4 182 B10R1.61 CC1=C(C(=O)O)N=CC=C1 4521AA [0,0,1,0,0,0|3,0,0]=4 183 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [0,0,1,0,0,0|2,0,1]=4 184 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 N446 [0,0,1,0,0,0|2,0,1]=4 185 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 8791AA [0,0,1,0,0,0|2,0,1]=4 186 B10R1.61 C[C@H](O)C1=CC=CC=C1Br N448 [0,0,1,0,0,0|2,0,1]=4 187 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [0,0,1,0,0,0|2,0,0]=3 188 B10R1.61 N=C(N)C1=C(F)C=CC=N1 2279AJ [0,0,1,0,0,0|3,0,0]=4 189 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [0,0,1,0,0,0|2,0,0]=3 190 B10R1.61 N=C(N)C1=CC=CNC1=O 1879AF [0,0,1,0,0,0|2,0,1]=4 191 B10R1.61 NC(=S)C1=CC=CC=C1Br 1055AQ [0,0,1,0,0,0|1,1,1]=4 192 B10R1.61 O=C(O)C1=C(I)C=NC=C1 Y5476 [0,0,1,0,0,0|3,0,0]=4 193 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 Z5133 [0,0,0,0,0,1|2,0,0]=3 194 B12R2.24 CC1COC2=CC=CC=C2N1 0197AE [0,0,0,0,0,1|2,0,1]=4 195 B12R2.24 ClC1=NC=C2C=CC=NC2=N1 1390AA [0,0,0,0,0,1|3,0,0]=4 196 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 5859AJ [0,0,0,0,0,1|2,0,0]=3 197 B12R2.24 FC1=CC=C2C=CC=CC2=C1 Z3465 [0,0,0,0,0,1|3,0,0]=4 198 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [0,0,0,0,0,1|2,0,1]=4 199 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,0,0,1|1,0,2]=4 200 B12R2.24 O=C1COC2=CC=CC=C2C1 9923AA [0,0,0,0,0,1|1,0,1]=3 201 B12R2.24 O=C1COC2=CC=NC=C2N1 Z6517 [0,0,0,0,0,1|2,0,1]=4 202 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,0,0,0,0,1|1,0,2]=4 203 B12R2.24 OC1COC2=C(C=CC=C2)O1 5942AE [0,0,0,0,0,1|1,0,1]=3 204 B12R2.24 S=C1C=CC2=CC=CC=C2N1 0779AQ [0,0,0,0,0,1|2,1,0]=4 205 B12R2.24 SC1=NC2=CC=CC=C2CS1 V6175 [0,0,0,0,0,1|2,1,0]=4 206 B12R2.24 SC1=NC2=CC=CC=C2N=C1 8313AE [0,0,0,0,0,1|2,1,0]=4 207 B12R2.1081 BrC1=C2C=CC=CC2=CC=N1 W3339 [0,0,0,0,0,1|2,0,0]=3 208 B12R2.1081 BrC1=CN=CC2=CC=CN=C12 6014AD [0,0,0,0,0,1|3,0,0]=4 209 B12R2.1081 BrC1=NC=CC2=CN=CC=C21 2594AC [0,0,0,0,0,1|3,0,0]=4 210 B12R2.1081 ClC1=C2C=NC=CC2=CC=N1 W7893 [0,0,0,0,0,1|3,0,0]=4 211 B12R2.1081 ClC1=NC=CC2=CC=CN=C21 5584AA [0,0,0,0,0,1|3,0,0]=4 212 B12R2.1081 FC1=CC=NC2=CC=CC=C12 2411AE [0,0,0,0,0,1|3,0,0]=4 213 B12R2.1081 FC1=CC=NC2=CC=CC=C12 3029AD [0,0,0,0,0,1|3,0,0]=4 214 B12R2.1081 IC1=C2C=CC=CC2=CC=N1 Y5331 [0,0,0,0,0,1|2,0,0]=3 215 B12R2.1081 NC1=NC=CC2=C1C=NC=C2 2546AB [0,0,0,0,0,1|3,0,0]=4 216 B12R2.1081 NC1=NC=CC2=CC=CN=C21 9270AH [0,0,0,0,0,1|3,0,0]=4 217 B12R2.1081 NC1=NC=CC2=NC=CC=C12 8112AB [0,0,0,0,0,1|3,0,0]=4 218 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [0,0,0,0,0,1|2,0,1]=4 219 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [0,0,0,0,0,1|2,0,1]=4 220 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B382 [0,0,0,0,0,1|2,0,1]=4 221 B12R2.1081 O=C1CCOC2=CC=CN=C12 Z4709 [0,0,0,0,0,1|2,0,1]=4 222 B12R2.1081 O=C1NC=CC2=CC=CC=C12 6656AB [0,0,0,0,0,1|1,0,2]=4 223 B12R2.1081 OC1=C2C=NC=CC2=CC=N1 3145AH [0,0,0,0,0,1|2,0,0]=3 224 B12R2.1081 OC1=C2N=CC=CC2=NC=C1 W6851 [0,0,0,0,0,1|3,0,0]=4 225 B12R2.1081 OC1=CC=NC2=NC=CC=C12 7903AB [0,0,0,0,0,1|3,0,0]=4 226 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 7709AA [0,0,0,0,0,1|1,0,0]=2 227 B12R2.1081 OC1CCNC2=C1C=CC=C2 1766AB [0,0,0,0,0,1|2,0,1]=4 228 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [0,0,0,0,0,1|1,0,1]=3 229 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [0,0,0,0,0,1|2,0,1]=4 230 B9R1.6 N=C(N)C1=CC=CC=C1 9278AB [1,0,1,0,0,0|1,0,0]=3 231 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [1,0,1,0,0,0|2,0,0]=4 232 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,0,1,0,0,0|2,0,0]=4 233 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 0023AQ [1,0,1,0,0,0|2,0,0]=4 234 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [1,0,1,0,0,0|2,0,0]=4 235 B9R1.15 C=CC1=CC=CC=C1N 3518AA [1,0,1,0,0,0|1,0,1]=4 236 B9R1.15 COC1=C(O)C=NC=C1 7687AA [1,0,1,0,0,0|2,0,0]=4 237 B9R1.15 COC1=CN=CC=C1O 9525AB [1,0,1,0,0,0|2,0,0]=4 238 B9R1.15 O=CC1=CN=CC=C1O Z1966 [1,0,1,0,0,0|1,0,1]=4 239 B9R1.15 OCC1=C(O)C=NC=C1 X7917 [1,0,1,0,0,0|1,0,1]=4 240 B11R1.16 N#C\N=C(/N)C1=CC=CC=C1 5678AD [0,1,1,0,0,0|2,0,0]=4 241 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 6594AD [0,1,1,0,0,0|1,0,0]=3 242 B11R1.22 N=C(NO)C1=CC=C(Br)C=C1 9499AJ [0,1,1,0,0,0|1,0,1]=4 243 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 W6566 [0,1,1,0,0,0|1,0,0]=3 244 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 W7901 [0,1,1,0,0,0|1,0,0]=3 245 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 3895AB [0,1,1,0,0,0|1,0,1]=4 246 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 2338AC [0,1,1,0,0,0|1,0,1]=4 247 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 5554AC [0,1,1,0,0,0|1,0,1]=4 248 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 X3150 [0,1,1,0,0,0|1,0,1]=4 249 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 9497AJ [0,1,1,0,0,0|1,0,0]=3 250 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 2731AB [0,1,1,0,0,0|1,0,0]=3 251 B11R1.23 N=C(NO)C1=CC=CC(Br)=C1 V3789 [0,1,1,0,0,0|1,0,1]=4 252 B11R1.23 N=C(NO)C1=CC=CC(Cl)=C1 W4576 [0,1,1,0,0,0|1,0,1]=4 253 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 X3148 [0,1,1,0,0,0|1,0,1]=4 254 B11R1.23 O\N=C(/Cl)C1=CC(Br)=CC=C1 9462AJ [0,1,1,0,0,0|1,0,0]=3 255 B11R1.23 O\N=C(/Cl)C1=CC(F)=CC=C1 9466AJ [0,1,1,0,0,0|1,0,0]=3 256 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 2680AE [0,1,1,0,0,0|1,0,0]=3 257 B11R1.222 CC1=C(\C(N)=N\O)N=CC=C1 0827AQ [0,1,1,0,0,0|2,0,0]=4 258 B11R1.222 N=C(NO)C1=C(Br)C=CC=C1 9398AJ [0,1,1,0,0,0|1,0,1]=4 259 B11R1.222 N=C(NO)C1=CC=CC=C1Cl 9402AJ [0,1,1,0,0,0|1,0,1]=4 260 B11R1.222 NC1=CC=CC=C1C(=O)NO 5665AE [0,1,1,0,0,0|0,0,2]=4 261 B11R1.222 N\C(=N/O)C1=C(Cl)N=CC=C1 6396AB [0,1,1,0,0,0|2,0,0]=4 262 B11R1.222 N\C(=N\O)C1=CC=CC=C1F 9412AJ [0,1,1,0,0,0|1,0,0]=3 263 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 4897AJ [0,1,1,0,0,0|1,0,1]=4 264 B11R1.222 O\N=C(/Cl)C1=C(Br)C=CC=C1 9397AJ [0,1,1,0,0,0|1,0,0]=3 265 B11R1.1 C=CCOC1=CC=C(N)C=C1 5430AD [0,1,1,0,0,0|2,0,0]=4 266 B11R1.17 C=CCOC1=CC=CC=C1N 1709AE [0,1,1,0,0,0|2,0,0]=4 267 B11R1.17 C=CCOC1=CC=CC=C1N 8907AD [0,1,1,0,0,0|2,0,0]=4 268 B11R1.17 OCCOC1=CC=CC=C1Br Z2369 [0,1,1,0,0,0|1,0,1]=4 269 B11R1.17 OCCOC1=CC=CC=C1O 6575AB [0,1,1,0,0,0|1,0,1]=4 270 B11R1.24 C=CCOC1=CC(N)=CC=C1 7698AC [0,1,1,0,0,0|2,0,0]=4 271 B11R1.24 CC1=CC=CC(OCCO)=C1 5007AL [0,1,1,0,0,0|1,0,1]=4 272 B11R1.28 C=CCOBrC1=CC=CC=C1 X5225 [0,1,1,0,0,0|2,0,0]=4 273 B11R1.91 N=C(N)COC1=CC=CC=C1 0368AC [0,1,1,0,0,0|2,0,0]=4 274 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,1,1,0,0,0|2,0,0]=4 275 B11R1.37 COC1=CC=C(C)C=C1CO Z0796 [0,1,1,0,0,0|1,0,1]=4 276 B11R1.41 CCOC1=C(CO)C=CC=C1 5602AL [0,1,1,0,0,0|1,0,1]=4 277 B11R1.41 COC1=C(CC=O)C=CC=C1 3932AB [0,1,1,0,0,0|1,0,1]=4 278 B11R1.41 COC1=C(\C=N\O)C=CC=C1 2108AL [0,1,1,0,0,0|1,0,0]=3 279 B11R1.53 C=CC1=CC=CC=C1C(=O)O 2578AB [0,1,1,0,0,0|2,0,0]=4 280 B11R1.53 COC1=C(C(=O)O)C=CN=C1 Y9427 [0,1,1,0,0,0|2,0,0]=4 281 B11R1.53 COC1=CC=CC=C1C(=N)N 1766AJ [0,1,1,0,0,0|2,0,0]=4 282 B11R1.53 COC1=CC=CC=C1C(=N)N 4779AE [0,1,1,0,0,0|2,0,0]=4 283 B11R1.53 NCC1=CC=CC=C1C(=O)O 7123AC [0,1,1,0,0,0|1,0,1]=4 284 B11R1.265 COC1=C(C=O)C(I)=CC=C1 6874AB [0,1,1,0,0,0|1,0,1]=4 285 B11R1.265 COC1=C(F)C=CC=C1CO W5270 [0,1,1,0,0,0|1,0,1]=4 286 B11R1.156 CC(=O)C1=C(C)C=CC=C1O 5570AJ [0,1,1,0,0,0|1,0,1]=4 287 B11R1.156 CC1=C(C(=O)O)C(O)=NC=C1 4902AB [0,1,1,0,0,0|2,0,0]=4 288 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl 1411AJ [0,1,1,0,0,0|2,0,0]=4 289 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 1668AJ [0,1,1,0,0,0|2,0,0]=4 290 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 5026AH [0,1,1,0,0,0|2,0,0]=4 291 B11R1.156 N=C(N)C1=C(F)C=CC=C1F 1413AJ [0,1,1,0,0,0|2,0,0]=4 292 B11R1.156 NC1=CC=CC(O)=C1C(=O)O W7041 [0,1,1,0,0,0|1,0,0]=3 293 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O 5040AB [0,1,1,0,0,0|1,0,0]=3 294 B11R1.159 CC1=C(O)C(B(O)O)=CC=C1 X0658 [0,1,1,0,0,0|2,0,0]=4 295 B11R1.159 CC1=C(O)C(C(N)=O)=CC=C1 5564AJ [0,1,1,0,0,0|0,0,2]=4 296 B11R1.159 CC1=C([O-])C(C(=O)O)=CC=C1 3660AB [0,1,1,0,0,0|1,0,1]=4 297 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 1343AJ [0,1,1,0,0,0|2,0,0]=4 298 B11R1.159 NC1=C(C(=O)O)C=CC=C1O 6062AL [0,1,1,0,0,0|2,0,0]=4 299 B11R1.159 NC1=C(I)C=CC=C1C(=O)O X2788 [0,1,1,0,0,0|2,0,0]=4 300 B11R1.159 NC1=CC=CC(C(=O)O)=C1I 0474AQ [0,1,1,0,0,0|2,0,0]=4 301 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I 4447AA [0,1,1,0,0,0|2,0,0]=4 302 B11R1.159 O=C(O)C1=CC=CC(O)=C1Br 5445AC [0,1,1,0,0,0|2,0,0]=4 303 B11R1.159 O=C(O)C1=CC=CC(O)=C1F Z1094 [0,1,1,0,0,0|2,0,0]=4 304 B11R1.159 OB(O)C1=CC=CC(F)=C1O X0659 [0,1,1,0,0,0|2,0,0]=4 305 B11R1.166 CC1=C(C(=N)N)C=CC(Cl)=C1 1883AF [0,1,1,0,0,0|2,0,0]=4 306 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 2690AJ [0,1,1,0,0,0|2,0,0]=4 307 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F 3281AH [0,1,1,0,0,0|2,0,0]=4 308 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 1384AJ [0,1,1,0,0,0|2,0,0]=4 309 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1F 5593AH [0,1,1,0,0,0|2,0,0]=4 310 B11R1.166 N=C(N)C1=CC=C(F)C=C1Cl 5020AH [0,1,1,0,0,0|2,0,0]=4 311 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 4852AB [0,1,1,0,0,0|0,0,2]=4 312 B11R1.166 O=C(O)C1=CC=C(I)C=C1O 8615AA [0,1,1,0,0,0|1,0,0]=3 313 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 1880AF [0,1,1,0,0,0|2,0,0]=4 314 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 5851AH [0,1,1,0,0,0|2,0,0]=4 315 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 0380AC [0,1,1,0,0,0|2,0,0]=4 316 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 5824AH [0,1,1,0,0,0|2,0,0]=4 317 B11R1.167 N=C(N)C1=CC(Br)=CC=C1F 5799AH [0,1,1,0,0,0|2,0,0]=4 318 B11R1.167 N=C(N)C1=CC(F)=CC=C1F 1401AJ [0,1,1,0,0,0|2,0,0]=4 319 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 9139AB [0,1,1,0,0,0|2,0,0]=4 320 B11R1.167 O=C(O)C1=CC(Br)=CC=C1S X6084 [0,1,1,0,0,0|1,1,0]=4 321 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O 1351AA [0,1,1,0,0,0|2,0,0]=4 322 B11R2.10 BrB1OC2=C(C=CC=C2)O1 5512AL [1,1,0,0,0,0|2,0,0]=4 323 B11R2.10 CC1=CC2=C(C=CC=C2)O1 X5959 [1,1,0,0,0,0|1,0,0]=3 324 B11R2.10 ClB1OC2=C(C=CC=C2)O1 5556AL [1,1,0,0,0,0|2,0,0]=4 325 B11R2.10 IC1=CC2=C(C=CC=C2)S1 7957AJ [1,1,0,0,0,0|1,1,0]=4 326 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [1,1,0,0,0,0|2,0,0]=4 327 B11R2.10 O=C1OC2=C(C=CC=C2)O1 1033AB [1,1,0,0,0,0|2,0,0]=4 328 B11R2.36 BrC1=CC2=C(C=C1)C=NS2 3952AC [1,1,0,0,0,0|0,1,0]=3 329 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 6054AA [1,1,0,0,0,0|1,1,0]=4 330 B11R2.36 BrC1=CC2=CSN=C2C=C1 W4348 [1,1,0,0,0,0|2,0,0]=4 331 B11R2.36 BrC1=CC=C2C=NNC2=N1 Y5665 [1,1,0,0,0,0|2,0,0]=4 332 B11R2.36 BrC1=CN2C=NC=C2C=C1 4541AA [1,1,0,0,0,0|2,0,0]=4 333 B11R2.36 BrC1=CN=C2OC=CC2=C1 1198AB [1,1,0,0,0,0|2,0,0]=4 334 B11R2.36 CC1=CC2=C(C=N1)NN=C2 Y5545 [1,1,0,0,0,0|2,0,0]=4 335 B11R2.36 CC1=CC=C2C=NNC2=N1 Y5603 [1,1,0,0,0,0|2,0,0]=4 336 B11R2.36 CC1=CC=C2NN=CC2=N1 Y5459 [1,1,0,0,0,0|2,0,0]=4 337 B11R2.36 CC1=CN=C2C=NNC2=C1 Y5238 [1,1,0,0,0,0|2,0,0]=4 338 B11R2.36 ClC1=CC=C2CC=CC2=C1 5224AB [1,1,0,0,0,0|2,0,0]=4 339 B11R2.36 ClC1=CN=C2C=COC2=C1 2366AA [1,1,0,0,0,0|2,0,0]=4 340 B11R2.36 ClC1=CN=C2C=NNC2=C1 Y5253 [1,1,0,0,0,0|2,0,0]=4 341 B11R2.36 FC1=CC=C2OC=NC2=C1 V4452 [1,1,0,0,0,0|2,0,0]=4 342 B11R2.36 FC1=CC=C2SC=CC2=C1 W7970 [1,1,0,0,0,0|1,1,0]=4 343 B11R2.36 IC1=CC2=C(C=N1)NN=C2 0815AA [1,1,0,0,0,0|2,0,0]=4 344 B11R2.36 NC1=CC2=C(C=NN2)C=N1 3597AA [1,1,0,0,0,0|2,0,0]=4 345 B11R2.36 NC1=CC=C2OCCC2=C1 Z7258 [1,1,0,0,0,0|1,0,1]=4 346 B11R2.36 NC1=NC2=C(C=C1)C=NN2 9742AB [1,1,0,0,0,0|2,0,0]=4 347 B11R2.36 OC1=CC2=C(C=C1)OCO2 Y0189 [1,1,0,0,0,0|2,0,0]=4 348 B11R2.36 OC1=CC=C2CCOC2=C1 W4735 [1,1,0,0,0,0|1,0,1]=4 349 B11R2.36 OC1=CC=C2OC=CC2=C1 Y7409 [1,1,0,0,0,0|1,0,0]=3 350 B11R2.36 OC1=CC=C2OCCC2=C1 X7949 [1,1,0,0,0,0|1,0,1]=4 351 B11R2.106 BrC1=CC=CC2=NN=CN12 9897AC [1,1,0,0,0,0|2,0,0]=4 352 B11R2.106 BrC1=CN=CC2=C1C=NN2 X8655 [1,1,0,0,0,0|2,0,0]=4 353 B11R2.106 CC1=C2OC=NC2=CC=C1 1218AA [1,1,0,0,0,0|2,0,0]=4 354 B11R2.106 CC1=CN=CC2=C1NN=C2 Y5153 [1,1,0,0,0,0|2,0,0]=4 355 B11R2.106 CC1=NC=CC2=C1C=NN2 Y5279 [1,1,0,0,0,0|2,0,0]=4 356 B11R2.106 ClC1=C2C=COC2=NC=C1 0031AB [1,1,0,0,0,0|2,0,0]=4 357 B11R2.106 ClC1=C2NN=CC2=NC=C1 Y5669 [1,1,0,0,0,0|2,0,0]=4 358 B11R2.106 ClC1=C2OC=CC2=CC=C1 V4635 [1,1,0,0,0,0|1,0,0]=3 359 B11R2.106 ClC1=C2OC=CC2=NC=C1 6128AD [1,1,0,0,0,0|2,0,0]=4 360 B11R2.106 ClC1=CC=CC2=C1CCO2 2671AL [1,1,0,0,0,0|1,0,1]=4 361 B11R2.106 ClC1=CC=CC2=C1N=CO2 6118AC [1,1,0,0,0,0|2,0,0]=4 362 B11R2.106 ClC1=CC=CC2=NN=CN12 8925AD [1,1,0,0,0,0|2,0,0]=4 363 B11R2.106 FC1=C2OCOC2=CC=C1 V9421 [1,1,0,0,0,0|2,0,0]=4 364 B11R2.106 NC1=C2C=COC2=CC=C1 Y9052 [1,1,0,0,0,0|1,0,0]=3 365 B11R2.106 NC1=C2C=CSC2=CC=C1 3827AJ [1,1,0,0,0,0|1,1,0]=4 366 B11R2.106 NC1=C2N=COC2=CC=C1 V3645 [1,1,0,0,0,0|2,0,0]=4 367 B11R2.106 NC1=CC=CC2=C1N=NN2 6063AD [1,1,0,0,0,0|2,0,0]=4 368 B11R2.106 OC1=C2N=NNC2=CC=C1 V1458 [1,1,0,0,0,0|2,0,0]=4 369 B11R2.106 OC1=CC=CC2=C1C=CS2 4546AB [1,1,0,0,0,0|1,1,0]=4 370 B11R2.106 OC1=CC=CC2=C1OC=C2 6567AB [1,1,0,0,0,0|1,0,0]=3 371 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [0,1,0,0,1,0|1,0,0]=3 372 B13R2.32 CC1=C(Br)C2=CC=CC=C2C=N1 2705AJ [0,1,0,0,0,1|2,0,0]=4 373 B13R2.32 NC1=C(Br)N=CC2=CC=CC=C21 W6046 [0,1,0,0,0,1|2,0,0]=4 374 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 W5578 [0,1,0,0,0,1|2,0,0]=4 375 B13R2.32 NC1=C2C=CC=CC2=CC=C1O D097 [0,1,0,0,0,1|2,0,0]=4 376 B13R2.32 O=C1C(I)=COC2=CC=CC=C12 5346AH [0,1,0,0,0,1|2,0,0]=4 377 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=N1 4705AB [0,1,0,0,0,1|1,0,0]=3 378 B13R2.32 OC1=CC=C2C=CC=CC2=C1O 4452AL [0,1,0,0,0,1|2,0,0]=4 379 B13R2.57 N#CC1=CC2=C(C=CC=C2)OC1 5052AH [0,1,0,0,0,1|2,0,0]=4 380 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 X9842 [0,1,0,0,0,1|2,0,0]=4 381 B13R2.57 OCC1=NC2=C(C=CC=C2)C=C1 2320AB [0,1,0,0,0,1|2,0,0]=4 382 B13R2.155 CC1=CC2=CC(Cl)=CC=C2C=N1 6863AA [0,1,0,0,0,1|2,0,0]=4 383 B13R2.155 ClC1=CC2=CC(Br)=CC=C2C=N1 W6926 [0,1,0,0,0,1|2,0,0]=4 384 B13R2.155 ClC1=NC=C2C=CC(Br)=CC2=N1 W9736 [0,1,0,0,0,1|2,0,0]=4 385 B13R2.155 FC1=CC2=C(C=CC(Br)=C2)C=N1 4720AC [0,1,0,0,0,1|2,0,0]=4 386 B13R2.155 NC1=NC2=CC(Cl)=CC=C2C=N1 9906AA [0,1,0,0,0,1|2,0,0]=4 387 B13R2.155 NC1=NC=C2C=CC(F)=CC2=N1 X6407 [0,1,0,0,0,1|2,0,0]=4 388 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 Z4519 [0,1,0,0,0,1|1,0,1]=4 389 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 Z4874 [0,1,0,0,0,1|2,0,0]=4 390 B13R2.155 OC1=CC2=CC(F)=CC=C2C=N1 V6327 [0,1,0,0,0,1|1,0,0]=3 391 B13R2.162 CC1=CC=CC2=C1NC(=O)CO2 9936AD [0,1,0,0,0,1|1,0,1]=4 392 B13R2.162 NC1=C2C=C(Cl)N=CC2=CC=C1 8601AB [0,1,0,0,0,1|2,0,0]=4 393 B13R2.162 NC1=C2NC(=O)COC2=CC=C1 Z4187 [0,1,0,0,0,1|1,0,1]=4 394 B13R2.162 OC1=CC2=C(C=CC=C2Br)C=C1 9029AE [0,1,0,0,0,1|2,0,0]=4 395 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 6737AA [0,1,0,0,0,1|2,0,0]=4 396 B13R2.328 BrC1=NC(Br)=C2C=CC=CC2=N1 W8956 [0,1,0,0,0,1|2,0,0]=4 397 B13R2.328 CC1=NC(=O)NC2=CC=CC=C21 4234AB [0,1,0,0,0,1|1,0,1]=4 398 B13R2.328 CC1=NC(C)=C2C=CC=CC2=N1 W7989 [0,1,0,0,0,1|2,0,0]=4 399 B13R2.328 CC1=NC(Cl)=C2C=CC=CC2=C1 9786AH [0,1,0,0,0,1|2,0,0]=4 400 B13R2.328 CC1=NC(Cl)=NC2=CC=CC=C21 9206AB [0,1,0,0,0,1|2,0,0]=4 401 B13R2.328 NC1=C2C=CC=CC2=NC(O)=N1 Z4805 [0,1,0,0,0,1|1,0,0]=3 402 B13R2.328 NC1=NC(Br)=C2C=CC=CC2=C1 Y7393 [0,1,0,0,0,1|2,0,0]=4 403 B13R2.328 NC1=N[N+]([O-])=C2C=CC=CC2=N1 5281AH [0,1,0,0,0,1|2,0,0]=4 404 B13R2.369 O=C1NC2=CC=CC=C2C=C1O 8747AD [0,1,0,0,0,1|2,0,0]=4 405 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 1581AE [0,1,0,0,0,1|1,0,0]=3 406 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl 5432AA [0,1,0,0,0,1|2,0,0]=4 407 B13R2.3683 BrC1=CC2=C(C=C1)N=C(Br)N=C2 X3286 [0,1,0,0,0,1|2,0,0]=4 408 B13R2.3683 CC1=CC2=CC=C(O)C=C2C=C1 9205AA [0,1,0,0,0,1|2,0,0]=4 409 B13R2.3683 FC1=CC2=CN=C(Cl)N=C2C=C1 2242AA [0,1,0,0,0,1|2,0,0]=4 410 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=N1 X9374 [0,1,0,0,0,1|2,0,0]=4 411 B13R2.3683 NC1=NC2=C(C=N1)C=C(Cl)C=C2 0301AB [0,1,0,0,0,1|2,0,0]=4 412 B13R2.3683 NC1=NN=C2C=C(Cl)C=CC2=N1 7798AB [0,1,0,0,0,1|2,0,0]=4 413 B13R2.3683 O=C1COC2=CC(F)=CC=C2N1 X8657 [0,1,0,0,0,1|1,0,1]=4 414 B13R2.3683 O=C1COC2=CC(I)=CC=C2N1 W8975 [0,1,0,0,0,1|1,0,1]=4 415 B13R2.3683 OC1=CN=C2C=C(Br)C=CC2=N1 W6963 [0,1,0,0,0,1|2,0,0]=4 416 B13R2.5179 NC1=C2C=CC(O)=CC2=CC=C1 6750AL [0,1,0,0,0,1|2,0,0]=4 417 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 Y8708 [0,1,0,0,0,1|1,0,1]=4 418 B13R2.5179 NC1=NC=C2C(Br)=CC=CC2=N1 V3920 [0,1,0,0,0,1|2,0,0]=4 419 B13R2.5179 OC1=CC2=CC=CC(Br)=C2C=N1 Y9606 [0,1,0,0,0,1|1,0,0]=3 420 B13R2.342 CC1=CC=CC2=C(Cl)N=CC=C12 Y5358 [0,1,0,0,0,1|2,0,0]=4 421 B13R2.342 CC1=CC=CC2=C(O)N=CC=C12 Y5357 [0,1,0,0,0,1|1,0,0]=3 422 B13R2.342 ClC1=C2C=CC=C(I)C2=NC=N1 X9612 [0,1,0,0,0,1|2,0,0]=4 423 B13R2.342 ClC1=NC=CC2=C(Cl)C=CC=C12 0983AC [0,1,0,0,0,1|2,0,0]=4 424 B13R2.342 FC1=C2C=CN=C(Cl)C2=CC=C1 9790AH [0,1,0,0,0,1|2,0,0]=4 425 B13R2.342 FC1=C2N=CN=C(Cl)C2=CC=C1 4599AA [0,1,0,0,0,1|2,0,0]=4 426 B13R2.342 NC1=C2C=CC=C(Br)C2=CC=N1 Y5578 [0,1,0,0,0,1|2,0,0]=4 427 B13R2.342 O=C1CCOC2=C1C=CC=C2Br 0485AB [0,1,0,0,0,1|1,0,1]=4 428 B13R2.342 O=C1CCOC2=C1C=CC=C2Cl 6739AB [0,1,0,0,0,1|1,0,1]=4 429 B13R2.342 O=C1N=CNC2=C1C=CC=C2Br W8377 [0,1,0,0,0,1|1,0,1]=4 430 B13R2.342 O=C1N=CNC2=C1C=CC=C2Cl 0396AA [0,1,0,0,0,1|1,0,1]=4 431 B13R2.342 OC1=C2C=CC=C(Br)C2=CC=N1 Y5327 [0,1,0,0,0,1|1,0,0]=3 432 B13R2.342 OC1=C2C=CC=C(Cl)C2=NC=C1 8535AB [0,1,0,0,0,1|2,0,0]=4 433 B13R2.342 OC1=CC=CC2=C(O)C=CN=C12 7462AA [0,1,0,0,0,1|2,0,0]=4 434 B13R2.342 OC1=CC=CC2=C(O)N=CC=C12 7630AJ [0,1,0,0,0,1|1,0,0]=3 435 B13R2.371 CC1=NC=C(Br)C2=CC=CC=C21 2678AJ [0,1,0,0,0,1|2,0,0]=4 436 B13R2.371 ClC1=CN=C(Br)C2=CC=CC=C12 1608AL [0,1,0,0,0,1|2,0,0]=4 437 B13R2.371 NC1=C2C=CC=CC2=C(I)C=N1 Y1344 [0,1,0,0,0,1|2,0,0]=4 438 B13R2.371 NC1=CC=C(O)C2=C1C=CC=C2 9765AL [0,1,0,0,0,1|2,0,0]=4 439 B13R2.371 O=C1COC(=O)C2=CC=CC=C12 Z2304 [0,1,0,0,0,1|1,0,1]=4 440 B13R2.371 OC1=NC=C(Cl)C2=C1N=CC=C2 0471AC [0,1,0,0,0,1|2,0,0]=4 441 B13R2.1613 CCC1=NC=CC2=CC=CC=C21 1932AC [0,1,0,0,0,1|2,0,0]=4 442 B13R2.1613 COC1=C2C=CC=CC2=NC=C1 V6874 [0,1,0,0,0,1|2,0,0]=4 443 B13R2.1613 ClCC1=NC=CC2=CC=CC=C21 9522AH [0,1,0,0,0,1|2,0,0]=4 444 B13R2.1613 NCC1=C2C=CC=CC2=CN=C1 Y9536 [0,1,0,0,0,1|2,0,0]=4 445 B13R2.1613 NNC1=C2C=CC=CC2=CC=N1 Y7667 [0,1,0,0,0,1|2,0,0]=4 446 B13R2.1613 NNC1=NC=NC2=C1C=CC=C2 1602AE [0,1,0,0,0,1|2,0,0]=4 447 B13R2.1613 OCC1=CC=NC2=CC=CC=C12 4485AJ [0,1,0,0,0,1|2,0,0]=4 448 B13R2.1613 O\N=C1/CCOC2=C1C=CC=C2 6536AH [0,1,0,0,0,1|1,0,0]=3 449 B13R2.4818 CC1=C2C(N)=CC=CC2=CN=C1 Y5329 [0,1,0,0,0,1|2,0,0]=4 450 B13R2.4818 ClC1=CC=CC2=CC=NC(Br)=C12 Y5273 [0,1,0,0,0,1|2,0,0]=4 451 B13R2.4818 O=C1CCOC2=C1C(F)=CC=C2 9841AA [0,1,0,0,0,1|1,0,1]=4 452 B13R2.4818 O=C1NN=CC2=C1C(Cl)=CC=C2 Y5846 [0,1,0,0,0,1|1,0,1]=4 453 B13R2.4818 OC1=C2C(Br)=CC=CC2=CC=C1 X4957 [0,1,0,0,0,1|2,0,0]=4 454 B13R2.4818 OC1=C2C(Br)=CC=CC2=NC=C1 W8101 [0,1,0,0,0,1|2,0,0]=4 455 B13R2.1 NCCC1=COC2=CC=CC=C12 1244AJ [0,2,0,0,0,0|2,0,0]=4 456 B13R2.1 NCCC1=COC2=CC=CC=C12 W5052 [0,2,0,0,0,0|2,0,0]=4 457 B13R2.1 OCCC1=COC2=CC=CC=C12 W8284 [0,2,0,0,0,0|1,0,0]=3 458 B13R2.1 ON\C=C1/C=NC2=CC=CC=C21 8562AD [0,2,0,0,0,0|2,0,0]=4 459 B13R2.9 CC1=C2NN=C(C#N)C2=CC=C1 5028AC [0,2,0,0,0,0|2,0,0]=4 460 B13R2.9 CC1=CC=CC2=C1NN=C2C=O X8458 [0,2,0,0,0,0|1,0,1]=4 461 B13R2.9 O=CC1=NNC2=C1C=CC=C2Br 3665AJ [0,2,0,0,0,0|1,0,1]=4 462 B13R2.72 CC(=O)C1=COC2=CC=CC=C21 7685AE [0,2,0,0,0,0|1,0,1]=4 463 B13R2.72 O=C(O)C1=NNC2=C1C=NC=C2 W9600 [0,2,0,0,0,0|2,0,0]=4 464 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)O1 5577AE [0,2,0,0,0,0|1,0,1]=4 465 B13R2.135 CN1N=C2C=CC=CC2=C1CO Y9549 [0,2,0,0,0,0|1,0,1]=4 466 B13R2.662 CCC1=NNC2=C1C=CC(Br)=C2 Y5332 [0,2,0,0,0,0|2,0,0]=4 467 B13R2.662 N#CC1=NNC2=CC(Cl)=CC=C21 4247AC [0,2,0,0,0,0|2,0,0]=4 468 B13R2.662 N#CC1=NNC2=CC(F)=CC=C21 4248AC [0,2,0,0,0,0|2,0,0]=4 469 B13R2.2091 CC1=C2C(CO)=CNC2=CC=C1 1779AA [0,2,0,0,0,0|2,0,0]=4 470 B13R2.2091 CC1=CC=CC2=C1C(C#N)=NN2 Z3563 [0,2,0,0,0,0|2,0,0]=4 471 B13R2.2091 COC1=NNC2=CC=CC(Br)=C21 5997AC [0,2,0,0,0,0|1,0,0]=3 472 B13R2.2136 N#CC1=NNC2=C1C=C(Cl)C=C2 Y5376 [0,2,0,0,0,0|2,0,0]=4 473 B13R2.2136 O=CC1=NNC2=C1C=C(F)C=C2 W6484 [0,2,0,0,0,0|1,0,1]=4 474 B13R2.2136 OCC1=CSC2=CC=C(Br)C=C12 Y4258 [0,2,0,0,0,0|1,1,0]=4 475 B13R2.2136 OCC1=NNC2=C1C=C(Cl)C=C2 Z2077 [0,2,0,0,0,0|1,0,0]=3 476 B13R2.2136 OCC1=NNC2=C1C=C(F)C=C2 8841AH [0,2,0,0,0,0|1,0,0]=3 477 B13R2.2931 CN1C=C(CO)C2=CC=CC=C21 1025AL [0,2,0,0,0,0|2,0,0]=4 478 B13R2.2931 CN1N=C(C#N)C2=C1C=CC=C2 Y8691 [0,2,0,0,0,0|2,0,0]=4 479 B13R2.2931 CN1N=C(CCl)C2=C1C=CC=C2 Y7665 [0,2,0,0,0,0|2,0,0]=4 480 B13R2.2931 CN1N=C(CN)C2=C1C=CC=C2 W8185 [0,2,0,0,0,0|2,0,0]=4 481 B13R2.2931 CN1N=C(CN)C2=C1C=CC=C2 Y7024 [0,2,0,0,0,0|2,0,0]=4 482 B13R2.45 CCC1=C(C)C2=CC=CC=C2O1 2498AC [0,2,0,0,0,0|2,0,0]=4 483 B13R2.669 CC1=NOC2=C1C=C(C=O)C=C2 2355AJ [0,2,0,0,0,0|1,0,0]=3 484 B13R2.669 COC1=CC2=C(C=C1)NN=C2Cl 4313AC [0,2,0,0,0,0|2,0,0]=4 485 B13R2.669 COC1=CC2=C(C=C1)OC=C2Br 3877AB [0,2,0,0,0,0|2,0,0]=4 486 B13R2.669 COC1=CC2=C(C=C1)OC=C2Cl 2137AC [0,2,0,0,0,0|2,0,0]=4 487 B13R2.669 COC1=CC=C2OCC(=O)C2=C1 5188AB [0,2,0,0,0,0|1,0,1]=4 488 B13R2.669 O=CC1=CC2=C(C=C1)NN=C2I Y4799 [0,2,0,0,0,0|2,0,0]=4 489 B13R2.3742 CC1=CC(Br)=CC2=C1NN=C2N Y7045 [0,2,0,0,0,0|2,0,0]=4 490 B13R2.5187 CC1=CC2=C(C=C1)C(N)=NN2C Z9363 [0,2,0,0,0,0|2,0,0]=4 491 B13R2.5187 CC1=NN(C)C2=C1C=CC(N)=C2 Z6811 [0,2,0,0,0,0|2,0,0]=4 492 B13R2.5187 CN1N=C(I)C2=CC=C(F)C=C21 5990AH [0,2,0,0,0,0|2,0,0]=4 493 B13R2.5187 CN1N=C(N)C2=C1C=C(F)C=C2 Y7802 [0,2,0,0,0,0|2,0,0]=4 494 B13R2.5187 CN1N=C(N)C2=C1C=CC(F)=C2 Y7801 [0,2,0,0,0,0|2,0,0]=4 495 B13R2.5187 CN1N=C(N)C2=CC=C(O)C=C21 0756AA [0,2,0,0,0,0|2,0,0]=4 496 B13R2.11634 CC1=NNC2=CC(Br)=C(F)C=C21 3469AJ [0,2,0,0,0,0|2,0,0]=4 497 B13R2.573 COC1=C2NN=C(I)C2=CC=C1 4320AB [0,2,0,0,0,0|2,0,0]=4 498 B13R2.573 N#CC1=C2NN=C(N)C2=CC=C1 2325AA [0,2,0,0,0,0|2,0,0]=4 499 B13R2.573 N#CC1=CC=CC2=C1NN=C2Br Y4808 [0,2,0,0,0,0|2,0,0]=4 500 B13R2.4857 CN1N=C(N)C2=C1C(F)=CC=C2 Y7803 [0,2,0,0,0,0|2,0,0]=4 501 B13R2.4857 CN1N=C(N)C2=C1C=CC=C2Br Z9036 [0,2,0,0,0,0|2,0,0]=4 502 B13R2.4857 CN1N=C(N)C2=C1C=CC=C2I 9866AE [0,2,0,0,0,0|2,0,0]=4 503 B13R2.5180 NC1=NNC2=C1C=CC(F)=C2F B889 [0,2,0,0,0,0|2,0,0]=4 504 B13R2.582 COC1=CC=CC2=C1C(N)=NO2 5953AD [0,2,0,0,0,0|1,0,0]=3 505 B13R2.582 N#CC1=CC=CC2=C1C(N)=NN2 Z4012 [0,2,0,0,0,0|2,0,0]=4 506 B13R2.11642 CC1=C2C(=O)COC2=CC(O)=C1 7432AD [0,2,0,0,0,0|1,0,1]=4 507 B13R2.11642 ClC1=CC(Br)=CC2=C1C(I)=NN2 4587AC [0,2,0,0,0,0|2,0,0]=4 508 B13R2.11642 ClC1=CC2=C(C(Cl)=C1)C(I)=NN2 2597AL [0,2,0,0,0,0|2,0,0]=4 509 B13R2.11642 FC1=CC(Br)=CC2=C1C(I)=NN2 4586AC [0,2,0,0,0,0|2,0,0]=4 510 B13R2.11642 NC1=NNC2=C1C(F)=CC(F)=C2 B891 [0,2,0,0,0,0|2,0,0]=4 511 B13R2.11642 NC1=NNC2=CC(Br)=CC(Br)=C21 2454AC [0,2,0,0,0,0|2,0,0]=4 512 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 7943AA [0,2,0,0,0,0|1,0,1]=4 513 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NN2 W8405 [0,2,0,0,0,0|2,0,0]=4 514 B13R2.2130 COC1=CC=C2C(=C1)NN=C2Br 2296AA [0,2,0,0,0,0|2,0,0]=4 515 B13R2.2130 COC1=CC=C2C(=C1)NN=C2N 3036AL [0,2,0,0,0,0|2,0,0]=4 516 B13R2.2130 N#CC1=CC2=C(C=C1)C(I)=NN2 Y4635 [0,2,0,0,0,0|2,0,0]=4 517 B13R2.12159 O=S1(=O)N=C(Cl)C2=CC=CC=C21 V6662 [0,2,0,0,0,0|1,1,0]=4 518 B9R1.11 N\C(=N/O)C1=CC=CO1 2252AB [0,0,1,0,1,0|2,0,0]=4 519 B9R1.11 N\C(=N/O)C1=CSC=C1 6240AE [0,0,1,0,1,0|2,0,0]=4 520 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [0,0,1,0,0,1|1,0,1]=4 521 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7575AH [0,0,1,0,0,1|2,0,0]=4 522 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7576AH [0,0,1,0,0,1|2,0,0]=4 523 B11R1.86 N=C(N)CC1=CC=CC=C1Br 3452AD [0,0,1,0,0,1|2,0,0]=4 524 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 5657AB [0,0,1,0,0,1|2,0,0]=4 525 B13R2.33 O=C1COC2=C(C=CC=C2)CN1 4246AB [0,0,0,0,0,2|1,0,1]=4 526 B13R2.163 O=C1CCOC2=CC=CC=C2N1 9348AJ [0,0,0,0,0,2|1,0,1]=4 527 B13R2.5252 O=C1NCCOC2=CC=CC=C12 0902AC [0,0,0,0,0,2|0,0,2]=4