0 B7R1.3 BrC1=CC=NN=C1 X0257 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 ClC1=CN=NC=C1 8831AA [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 ClC1=NC=CC=C1 7352AF [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 ClC1=NC=NC=C1 X3235 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 FC1=CC=NC=N1 Z6041 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 FC1=NC=CC=C1 7353AF [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 NC1=CC=CC=C1 2738AC [0,0,0,0,0,0|1,0,0]=1 7 B7R1.3 NC1=CC=CC=C1 5126AF [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 O=C1N=CC=CN1 9421AJ [0,0,0,0,0,0|4,0,0]=4 9 B7R1.3 OC1=CC=CC=C1 8781AL [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 [O-][N+]1=CC=CC=C1 7360AF [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 [O-][N+]1=CC=CN=C1 8743AA [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 BrCC1=CN=CC=C1 0834AC [0,1,0,0,0,0|3,0,0]=4 13 B8R1.2 BrCC1=NC=CC=C1 8088AB [0,1,0,0,0,0|3,0,0]=4 14 B8R1.2 CNC1=CC=CC=C1 7883AF [0,1,0,0,0,0|1,0,0]=2 15 B8R1.2 NCC1=CC=NN=C1 7280AB [0,1,0,0,0,0|1,0,0]=2 16 B8R1.2 NCC1=NC=CC=N1 Z1925 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.2 NNC1=CC=CC=C1 5128AF [0,1,0,0,0,0|1,0,0]=2 18 B8R1.2 O=CC1=CC=NC=C1 7668AH [0,1,0,0,0,0|1,0,0]=2 19 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.2 O[Hg]C1=CC=CC=C1 7647AF [0,1,0,0,0,0|2,0,0]=3 21 B8R1.3 CC1=CC=C(C)C=C1 X8103 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.3 CC1=CC=C(O)C=C1 7878AF [0,1,0,0,0,0|2,0,0]=3 23 B8R1.3 NC1=CN=C(F)N=C1 Z1674 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.3 NC1=CN=C(N)C=C1 N556 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.3 [O-][N+]1=CC=C(Br)C=N1 Y9521 [0,1,0,0,0,0|2,0,1]=4 26 B8R1.4 BrC1=CC(Br)=NC=C1 4920AH [0,1,0,0,0,0|1,0,0]=2 27 B8R1.4 CC1=CC(Br)=CC=N1 2699AJ [0,1,0,0,0,0|1,0,0]=2 28 B8R1.4 CC1=CN=NC(Br)=C1 4887AA [0,1,0,0,0,0|2,0,0]=3 29 B8R1.4 FC1=CC=CC(F)=N1 9031AJ [0,1,0,0,0,0|3,0,0]=4 30 B8R1.4 NC1=CC(N)=NC=N1 7202AF [0,1,0,0,0,0|1,0,0]=2 31 B8R1.4 NC1=CC=NC(=O)N1 9012AB [0,1,0,0,0,0|1,0,0]=2 32 B8R1.4 NC1=NC(=O)C=CN1 5499AL [0,1,0,0,0,0|2,0,1]=4 33 B8R1.4 OC1=CC(O)=NN=C1 8905AA [0,1,0,0,0,0|2,0,0]=3 34 B8R1.4 OC1=CC=CC(O)=C1 O780 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.4 OC1=CC=CC(O)=N1 5119AF [0,1,0,0,0,0|3,0,0]=4 36 B8R1.5 CC1=C(Br)C=CN=C1 N224 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.5 CC1=C(Br)N=NC=C1 6897AA [0,1,0,0,0,0|2,0,0]=3 38 B8R1.5 ClC1=CC=CC=C1Cl 9816AF [0,1,0,0,0,0|2,0,0]=3 39 B8R1.5 NC1=C(F)C=CN=C1 Y6940 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.5 NC1=C(S)C=NC=C1 7377AB [0,1,0,0,0,0|0,0,0]=1 41 B8R1.5 NC1=CC=CN=C1Cl 1676AJ [0,1,0,0,0,0|2,0,0]=3 42 B8R1.5 NC1=CN=CC=C1Br 2730AJ [0,1,0,0,0,0|1,0,0]=2 43 B8R1.5 OC1=C(Br)C=NC=N1 W4195 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.5 OC1=C(F)C=CN=C1 1350AA [0,1,0,0,0,0|1,0,0]=2 45 B6R1.2 BrC1=CC=C[Se]1 7160AA [0,0,0,0,1,0|2,0,0]=3 46 B6R1.2 BrC1=CNC=C1 3908AC [0,0,0,0,1,0|1,0,1]=3 47 B6R1.2 CC1=NSC=C1 0717AC [0,0,0,0,1,0|3,0,0]=4 48 B6R1.2 CC1=[C-]CC=C1 Y1619 [0,0,0,0,1,0|1,0,2]=4 49 B6R1.2 ClC1=CNC=C1 X3741 [0,0,0,0,1,0|1,0,1]=3 50 B6R1.2 IC1=CC=CO1 Z5539 [0,0,0,0,1,0|2,0,0]=3 51 B6R1.2 NC1=CC=CS1 9765AB [0,0,0,0,1,0|1,0,0]=2 52 B6R1.2 NC1=CC=NN1 X3833 [0,0,0,0,1,0|1,0,0]=2 53 B6R1.2 NC1=CN=CO1 6270AC [0,0,0,0,1,0|1,0,0]=2 54 B6R1.2 NC1=CNC=C1 2960AB [0,0,0,0,1,0|0,0,1]=2 55 B6R1.2 NC1=COC=N1 2007AA [0,0,0,0,1,0|2,0,0]=3 56 B6R1.2 NC1=CSC=C1 W3870 [0,0,0,0,1,0|1,0,0]=2 57 B6R1.2 NC1=CSC=N1 Y1839 [0,0,0,0,1,0|2,0,0]=3 58 B6R1.2 NC1=NON=C1 1361AC [0,0,0,0,1,0|2,0,0]=3 59 B6R1.2 O=C1C=CNC1 8696AB [0,0,0,0,1,0|1,0,2]=4 60 B6R1.2 O=C1CC=CN1 2602AB [0,0,0,0,1,0|2,0,1]=4 61 B6R1.2 OC1=CC=CS1 X5173 [0,0,0,0,1,0|2,0,0]=3 62 B6R1.2 [Mn]C1=CC=CC1 X6016 [0,0,0,0,1,0|1,0,1]=3 63 B6R1.2 [S-]C1=CNN=N1 U206 [0,0,0,0,1,0|3,0,0]=4 64 B5R0.2 C=C\C=C\C=O Y1559 [1,0,1,0,0,0|1,0,0]=3 65 B5R0.2 C=C\C=C\CC 4582AL [1,0,1,0,0,0|1,0,1]=4 66 B7R0.2 C=CC(=O)C=C(C)C 5582AA [0,1,1,0,0,0|2,0,0]=4 67 B7R1.1 CNC1=CC=CS1 1494AC [0,1,0,0,1,0|1,0,0]=3 68 B7R1.1 COC1=CC=CN1 Y1596 [0,1,0,0,1,0|2,0,0]=4 69 B7R1.1 COC1=COC=C1 W1886 [0,1,0,0,1,0|2,0,0]=4 70 B7R1.1 ClCC1=CC=CO1 Z5545 [0,1,0,0,1,0|2,0,0]=4 71 B7R1.1 ClCC1=COC=C1 W3162 [0,1,0,0,1,0|2,0,0]=4 72 B7R1.1 NCC1=CN=CO1 Y4206 [0,1,0,0,1,0|1,0,0]=3 73 B7R1.1 NCC1=NC=CO1 4279AC [0,1,0,0,1,0|2,0,0]=4 74 B7R1.1 NCC1=NN=CO1 1119AC [0,1,0,0,1,0|2,0,0]=4 75 B7R1.1 NNC1=NC=CN1 8325AH [0,1,0,0,1,0|2,0,0]=4 76 B7R1.1 O=CC1=CC=NO1 8334AA [0,1,0,0,1,0|2,0,0]=4 77 B7R1.2 C=C1C=CC(=O)O1 1661AA [0,1,0,0,1,0|2,0,0]=4 78 B7R1.2 CC1=COC(C)=C1 Y6577 [0,1,0,0,1,0|2,0,0]=4 79 B7R1.2 CC1=NC(N)=CO1 7684AA [0,1,0,0,1,0|2,0,0]=4 80 B7R1.2 CN1N=CC(N)=N1 5924AC [0,1,0,0,1,0|2,0,0]=4 81 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [0,1,0,0,1,0|2,0,0]=4 82 B7R1.2 NC1=CC=C(Cl)S1 X8823 [0,1,0,0,1,0|1,0,0]=3 83 B7R1.2 NC1=CN=C(Br)S1 Y1249 [0,1,0,0,1,0|1,0,0]=3 84 B7R1.2 NC1=NC=C(Cl)O1 3170AJ [0,1,0,0,1,0|2,0,0]=4 85 B7R1.4 CC1=C(Br)OC=C1 Z5551 [0,1,0,0,1,0|2,0,0]=4 86 B7R1.4 CC1=C(C)SC=C1 Z5548 [0,1,0,0,1,0|2,0,0]=4 87 B7R1.4 CC1=CSN=C1Br 2193AJ [0,1,0,0,1,0|2,0,0]=4 88 B7R1.4 CN1C=CN=C1F 0253AC [0,1,0,0,1,0|2,0,0]=4 89 B7R1.4 NC1=CCOC1=O 3957AB [0,1,0,0,1,0|1,0,1]=4 90 B9R1.1 C=CC1=CC=C(N)C=C1 2121AA [0,2,0,0,0,0|1,0,0]=3 91 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [0,2,0,0,0,0|1,0,1]=4 93 B9R1.1 CC1=CC=C([Hg]Cl)C=C1 7857AF [0,2,0,0,0,0|2,0,0]=4 94 B9R1.1 NC1=CC=C(CCl)N=C1 5924AH [0,2,0,0,0,0|2,0,0]=4 95 B9R1.1 NCC1=NC=C(F)C=C1 Y2001 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.1 [C-]#[N+]C1=CC=C(F)C=C1 X3553 [0,2,0,0,0,0|1,0,1]=4 97 B9R1.2 C#CC1=CC=NC(Cl)=N1 4872AB [0,2,0,0,0,0|2,0,0]=4 98 B9R1.2 C=CC1=CC(N)=CC=C1 1464AC [0,2,0,0,0,0|1,0,0]=3 99 B9R1.2 CC1=CC(NN)=CC=C1 7665AB [0,2,0,0,0,0|1,0,0]=3 100 B9R1.2 CNC1=NC(=O)NC=C1 Z2895 [0,2,0,0,0,0|1,0,1]=4 101 B9R1.2 CNC1=NC=CC(I)=C1 Z1369 [0,2,0,0,0,0|1,0,0]=3 102 B9R1.2 CSC1=CC(F)=NC=C1 Z1346 [0,2,0,0,0,0|1,0,0]=3 103 B9R1.2 CSC1=NC=CC(=S)N1 Z2594 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.2 N#CC1=NC=C[N+]([O-])=C1 2107AB [0,2,0,0,0,0|2,0,0]=4 105 B9R1.2 N#[N+]C1=CC(Cl)=CC=C1 T256 [0,2,0,0,0,0|1,0,1]=4 106 B9R1.2 NC1=CC(C=O)=CC=C1 8788AA [0,2,0,0,0,0|1,0,0]=3 107 B9R1.2 NC1=NC=CC(C=O)=N1 8419AA [0,2,0,0,0,0|2,0,0]=4 108 B9R1.2 NCC1=CC(=O)NC=C1 5769AA [0,2,0,0,0,0|0,0,1]=3 109 B9R1.2 NCC1=NC=CC(F)=N1 8778AH [0,2,0,0,0,0|2,0,0]=4 110 B9R1.2 OC1=NC(CCl)=NC=C1 Y3173 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [0,2,0,0,0,0|1,0,0]=3 113 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [0,2,0,0,0,0|2,0,0]=4 114 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [0,2,0,0,0,0|0,0,0]=2 115 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [0,2,0,0,0,0|1,0,0]=3 116 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [0,2,0,0,0,0|1,0,0]=3 117 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [0,2,0,0,0,0|1,1,0]=4 118 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [0,2,0,0,0,0|2,0,0]=4 119 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [0,2,0,0,0,0|2,0,0]=4 120 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [0,2,0,0,0,0|1,1,0]=4 124 B9R1.8 N#C[Se]C1=CC=CC=C1 7419AD [0,2,0,0,0,0|1,0,1]=4 125 B9R1.8 O=C=NC1=CC=CC=C1 9929AF [0,2,0,0,0,0|1,0,1]=4 126 B9R1.8 O\N=C\C1=CC=CC=C1 R588 [0,2,0,0,0,0|1,0,1]=4 127 B9R1.8 S=C=NC1=CC=NC=C1 3292AH [0,2,0,0,0,0|0,0,1]=3 128 B9R1.15 CC1=C(NN)C=CC=C1 1069AL [0,2,0,0,0,0|1,0,0]=3 129 B9R1.15 CC1=C(NN)C=CC=N1 8099AA [0,2,0,0,0,0|2,0,0]=4 130 B9R1.15 CCC1=C(C)C=CN=C1 R348 [0,2,0,0,0,0|1,0,0]=3 131 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [0,2,0,0,0,0|1,0,0]=3 132 B9R1.15 CCC1=CN=CNC1=O 3205AJ [0,2,0,0,0,0|2,0,0]=4 133 B9R1.15 CNC1=NC=CC=C1I Y3706 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.15 CSC1=C(Br)C=CN=C1 Z1487 [0,2,0,0,0,0|1,0,0]=3 135 B9R1.15 FC1=C(CBr)C=CN=C1 Y7275 [0,2,0,0,0,0|1,0,0]=3 136 B9R1.15 N#CC1=C(F)C=CN=C1 1344AA [0,2,0,0,0,0|1,0,0]=3 137 B9R1.15 N#CC1=C(I)C=NC=C1 Y6886 [0,2,0,0,0,0|0,0,1]=3 138 B9R1.15 N#CC1=C(S)C=CC=C1 Y1771 [0,2,0,0,0,0|1,0,1]=4 139 B9R1.15 N#CC1=CN=CC=C1I 6663AB [0,2,0,0,0,0|1,0,0]=3 140 B9R1.15 N#[N+]C1=CC=CC=C1Cl T270 [0,2,0,0,0,0|1,0,1]=4 141 B9R1.15 OCC1=C(O)C=NC=C1 W7832 [0,2,0,0,0,0|1,0,0]=3 142 B9R1.69 CC1=CC(Br)=CN=C1N Z1301 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.69 CC1=CC(I)=NC=C1N 9643AB [0,2,0,0,0,0|1,0,0]=3 144 B9R1.69 CC1=CC(N)=C(N)C=N1 3453AC [0,2,0,0,0,0|0,0,0]=2 145 B9R1.69 CC1=CC=C(N)C=C1O I725 [0,2,0,0,0,0|1,0,0]=3 146 B9R1.69 CC1=CN=C(Br)N=C1Br 2360AC [0,2,0,0,0,0|2,0,0]=4 147 B9R1.69 CC1=CN=C(C)C=[N+]1[O-] 0638AC [0,2,0,0,0,0|2,0,0]=4 148 B9R1.69 CC1=CN=C(Cl)C=C1C 1648AJ [0,2,0,0,0,0|1,0,0]=3 149 B9R1.69 CC1=CN=C(F)C=C1C Y3913 [0,2,0,0,0,0|1,0,0]=3 150 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 X3720 [0,2,0,0,0,0|1,0,0]=3 151 B9R1.69 ClC1=CC=C(I)C(I)=C1 X6555 [0,2,0,0,0,0|2,0,0]=4 152 B9R1.69 NC1=C(S)C=C(Br)C=C1 1980AL [0,2,0,0,0,0|1,0,0]=3 153 B9R1.69 NC1=CC(Cl)=CN=C1F N241 [0,2,0,0,0,0|2,0,0]=4 154 B9R1.69 NC1=CC(I)=C(Cl)N=C1 Y9127 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.69 NC1=CC=C(I)C=C1O 7023AC [0,2,0,0,0,0|1,0,0]=3 156 B9R1.69 NC1=CC=C(O)C(O)=C1 5570AA [0,2,0,0,0,0|1,0,0]=3 157 B9R1.69 NC1=CN=C(N)N=C1N 4425AB [0,2,0,0,0,0|1,0,0]=3 158 B9R1.69 NC1=NC=C(O)C=C1Cl 4975AH [0,2,0,0,0,0|2,0,0]=4 159 B9R1.69 OC1=C(Cl)C=C(Cl)C=C1 8996AJ [0,2,0,0,0,0|2,0,0]=4 160 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 7598AF [0,2,0,0,0,0|2,0,0]=4 161 B9R1.69 OC1=CC(I)=C(I)C=C1 4595AA [0,2,0,0,0,0|2,0,0]=4 162 B9R1.69 OC1=CN=C(F)C=C1Br Y3899 [0,2,0,0,0,0|1,0,0]=3 163 B9R1.69 OC1=NN=C(O)C(Cl)=C1 7729AB [0,2,0,0,0,0|2,0,0]=4 164 B9R1.3 CC1=C(I)C=CC=C1I Y5130 [0,2,0,0,0,0|2,0,0]=4 165 B9R1.3 CC1=C(O)C(N)=NC=C1 X3220 [0,2,0,0,0,0|1,0,0]=3 166 B9R1.3 CC1=NC=CC(Br)=C1O 4340AA [0,2,0,0,0,0|1,0,0]=3 167 B9R1.3 ClC1=NC=CC(I)=C1Br Z0984 [0,2,0,0,0,0|1,0,0]=3 168 B9R1.3 FC1=C(Br)C(Br)=CC=N1 6608AA [0,2,0,0,0,0|1,0,0]=3 169 B9R1.3 FC1=C(I)C=CN=C1I Y7615 [0,2,0,0,0,0|1,0,0]=3 170 B9R1.3 FC1=NC=CC(I)=C1Cl 9865AE [0,2,0,0,0,0|1,0,0]=3 171 B9R1.3 NC1=C(O)C(=O)NN=C1 Z1893 [0,2,0,0,0,0|1,0,1]=4 172 B9R1.3 NC1=NC=NC(O)=C1N 7205AF [0,2,0,0,0,0|1,0,0]=3 173 B9R1.3 OC1=C(Cl)C(Br)=CN=C1 4842AA [0,2,0,0,0,0|1,0,0]=3 174 B9R1.3 OC1=C(Cl)C(Cl)=CC=C1 7597AF [0,2,0,0,0,0|2,0,0]=4 175 B9R1.3 OC1=C(Cl)C=CC=C1Cl 7599AF [0,2,0,0,0,0|2,0,0]=4 176 B9R1.3 OC1=CN=NC(Cl)=C1Cl 8117AB [0,2,0,0,0,0|2,0,0]=4 177 B9R1.34 CC1=CC(C)=NC(C)=C1 8913AL [0,2,0,0,0,0|1,0,0]=3 178 B9R1.34 CC1=CC(C)=NC(O)=N1 7685AF [0,2,0,0,0,0|2,0,0]=4 179 B9R1.34 CC1=CC(F)=NC(O)=C1 X2037 [0,2,0,0,0,0|1,0,0]=3 180 B9R1.34 CC1=CC(I)=CC(C)=N1 2841AJ [0,2,0,0,0,0|1,0,0]=3 181 B9R1.34 CC1=CC(O)=CC(=O)N1 7748AJ [0,2,0,0,0,0|1,0,1]=4 182 B9R1.34 CC1=CC(O)=CC(F)=N1 X2038 [0,2,0,0,0,0|1,0,0]=3 183 B9R1.34 NC1=CC(N)=CC(Cl)=C1 3978AB [0,2,0,0,0,0|1,0,0]=3 184 B9R1.34 NC1=CC(O)=NC(N)=N1 1891AL [0,2,0,0,0,0|1,0,0]=3 185 B9R1.34 NC1=CC(O)=NC(N)=N1 7203AF [0,2,0,0,0,0|1,0,0]=3 186 B9R1.34 NC1=NC(=O)C=C(F)N1 X5207 [0,2,0,0,0,0|2,0,0]=4 187 B9R1.34 NC1=NC(Br)=CC(I)=C1 V9840 [0,2,0,0,0,0|1,0,0]=3 188 B9R1.34 NC1=NC(Cl)=CC(=O)N1 W6154 [0,2,0,0,0,0|2,0,0]=4 189 B9R1.34 NC1=NC(N)=NC(O)=C1 7204AF [0,2,0,0,0,0|1,0,0]=3 190 B9R1.34 NC1=NC(N)=NC(S)=C1 Y4929 [0,2,0,0,0,0|1,0,0]=3