0 B8R1.2 BrCC1=NC=CN=C1 5266AJ [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 C=CC1=NC=CN=C1 R581 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 CC[N+]1=CC=CC=C1 E438 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 CNC1=NN=CC=N1 4345AJ [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 ClCC1=CN=CC=N1 0741AB [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 FCC1=CC=NC=C1 2557AL [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 NCC1=CC=CC=C1 7149AL [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 NCC1=CC=NC=C1 Z3385 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 NCC1=CC=NC=N1 Y7101 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 NCC1=CC=NN=C1 X9904 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 NCC1=CN=NC=C1 0175AP [0,0,0,0,0,0|4,0,0]=4 13 B8R1.2 NCC1=NC=NC=C1 9281AB [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 NCC1=NN=CC=C1 5795AC [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 NNC1=CC=NC=C1 0864AQ [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 NNC1=NN=CC=C1 5599AB [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 NNC1=NN=CC=C1 X0228 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 O=CC1=NC=CC=N1 Y3220 [0,0,0,0,0,0|1,1,1]=3 19 B8R1.2 O=CC1=NC=CN=C1 X7048 [0,0,0,0,0,0|1,1,1]=3 20 B8R1.2 OCC1=CC=NC=N1 W5525 [0,0,0,0,0,0|1,1,0]=2 21 B8R1.2 OCC1=CN=NC=C1 7045AB [0,0,0,0,0,0|3,1,0]=4 22 B8R1.2 OCC1=NC=CN=C1 W7769 [0,0,0,0,0,0|1,1,0]=2 23 B8R1.2 OCC1=NN=CC=C1 W5830 [0,0,0,0,0,0|1,1,0]=2 24 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 BrC1=CC=NC=N1 2731AJ [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 CC1=CCC=CC1 7751AF [1,0,0,0,0,0|1,0,1]=3 27 B7R1.3 C[N+]1=CC=CC=C1 1581AB [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 C[N+]1=CC=CC=C1 K323 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 ClC1=NN=CC=C1 X0225 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 F[N+]1=CC=CC=C1 4861AL [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 NC1=CC=CC=C1 7089AL [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [1,0,0,0,0,0|1,1,0]=3 33 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.1 C#CC1=CC=C(I)C=C1 1951AC [0,1,0,0,0,0|2,0,1]=4 35 B9R1.1 C#CC1=NC=C(Br)C=N1 2307AA [0,1,0,0,0,0|2,0,1]=4 36 B9R1.1 C#CC1=NC=C(Cl)C=C1 3376AA [0,1,0,0,0,0|1,0,1]=3 37 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [0,1,0,0,0,0|1,0,1]=3 38 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [0,1,0,0,0,0|1,0,0]=2 39 B9R1.1 CC1=CN=C(C#N)C=N1 Y5118 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.1 CC1=CN=C(C#N)N=C1 4938AB [0,1,0,0,0,0|2,0,1]=4 41 B9R1.1 CC1=CN=C(C=O)N=C1 5145AC [0,1,0,0,0,0|1,1,1]=4 42 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 CC1=CN=C(CN)C=N1 N635 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 CC1=CN=C(CN)N=C1 5734AC [0,1,0,0,0,0|2,0,0]=3 45 B9R1.1 CC1=CN=C(CN)N=C1 8860AH [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 CC1=CN=C(CO)N=C1 5144AC [0,1,0,0,0,0|1,1,0]=3 47 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 CNC1=CC=C(N)C=C1 F921 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 CNC1=NC=C(Br)N=C1 3163AJ [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 COC1=CN=C(I)C=N1 6098AC [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 CSC1=NC=C(C)C=N1 Z2994 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 CSC1=NC=C(Cl)C=N1 2139AL [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 CSC1=NC=C(O)C=N1 Z4789 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [0,1,0,0,0,0|2,1,0]=4 64 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [0,1,0,0,0,0|1,0,0]=2 67 B9R1.1 ClCC1=NN=C(Cl)C=C1 Z2720 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [0,1,0,0,0,0|1,0,0]=2 69 B9R1.1 N#CC1=CC=C(N)N=N1 5806AJ [0,1,0,0,0,0|2,0,1]=4 70 B9R1.1 N#CC1=CC=C(S)C=C1 V7013 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.1 N#CC1=NC=C(N)C=N1 2881AL [0,1,0,0,0,0|2,0,1]=4 72 B9R1.1 N#CC1=NC=C(O)C=N1 4175AB [0,1,0,0,0,0|2,0,1]=4 73 B9R1.1 NC1=CC=C(CO)C=N1 U962 [0,1,0,0,0,0|2,1,0]=4 74 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 NCC1=CN=C(Cl)C=N1 1378AA [0,1,0,0,0,0|2,0,0]=3 77 B9R1.1 NCC1=NC=C(Br)C=N1 Z4014 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.1 NCC1=NC=C(Cl)C=N1 8838AH [0,1,0,0,0,0|2,0,0]=3 79 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.1 NNC1=CN=C(Cl)C=N1 3082AB [0,1,0,0,0,0|3,0,0]=4 81 B9R1.1 NNC1=NC=C(Br)N=C1 0093AA [0,1,0,0,0,0|3,0,0]=4 82 B9R1.1 O=C1C=CC(=NCl)C=C1 8527AL [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [0,1,0,0,0,0|1,1,1]=4 84 B9R1.1 OCC1=CC=C(Cl)N=N1 0342AA [0,1,0,0,0,0|1,1,0]=3 85 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,1,0,0,0,0|0,1,0]=2 86 B9R1.2 BrCC1=CC(Br)=NC=C1 6323AA [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 C#CC1=NC=CC(Br)=C1 3384AA [0,1,0,0,0,0|1,0,1]=3 88 B9R1.2 C#CC1=NC=CC(N)=C1 0256AC [0,1,0,0,0,0|1,0,1]=3 89 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [0,1,0,0,0,0|2,0,1]=4 90 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [0,1,0,0,0,0|1,0,1]=3 91 B9R1.2 C=CC1=NC=CC(Cl)=C1 6889AC [0,1,0,0,0,0|1,0,1]=3 92 B9R1.2 C=CC1=NC=CC(N)=C1 0535AA [0,1,0,0,0,0|1,0,1]=3 93 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,1,0,0,0,0|1,0,0]=2 94 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.2 CC1=CC(CN)=CC=N1 6141AC [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.2 CC1=CC=NC(CN)=N1 8797AH [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,1,0,0,0,0|1,1,1]=4 100 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 CC1=NC(C#N)=NC=C1 2189AC [0,1,0,0,0,0|2,0,1]=4 102 B9R1.2 CC1=NC(CCl)=NC=C1 Y3172 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,1,0,0,0,0|1,0,0]=2 104 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,1,0,0,0,0|1,1,0]=3 105 B9R1.2 CC1=NC=CC(C#N)=N1 9887AB [0,1,0,0,0,0|2,0,1]=4 106 B9R1.2 CC1=NC=CC(C=O)=N1 X8509 [0,1,0,0,0,0|1,1,1]=4 107 B9R1.2 CCC1=CC(Br)=NC=C1 Y5042 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,0,0,0|2,0,0]=3 109 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [0,1,0,0,0,0|1,0,0]=2 110 B9R1.2 CCC1=CC(N)=NC=N1 3305AC [0,1,0,0,0,0|2,0,0]=3 111 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,0,0,0|1,0,0]=2 112 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [0,1,0,0,0,0|2,0,0]=3 113 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [0,1,0,0,0,0|3,0,0]=4 114 B9R1.2 CNC1=CC(O)=NC=N1 2155AA [0,1,0,0,0,0|3,0,0]=4 115 B9R1.2 CNC1=NC(N)=NC=C1 0200AA [0,1,0,0,0,0|3,0,0]=4 116 B9R1.2 CNC1=NC=CC(C)=N1 Z2893 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.2 CNC1=NC=CC(N)=N1 Z3321 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,1,0,0,0,0|3,0,0]=4 119 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [0,1,0,0,0,0|3,0,0]=4 120 B9R1.2 CSC1=NC=CC(Br)=N1 W9785 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.2 CSC1=NC=CC(N)=C1 6074AJ [0,1,0,0,0,0|2,0,0]=3 123 B9R1.2 ClC1=CC(CBr)=CC=N1 Y1576 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [0,1,0,0,0,0|3,0,0]=4 125 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [0,1,0,0,0,0|3,0,0]=4 128 B9R1.2 ClCC1=NC(Cl)=NC=C1 6190AC [0,1,0,0,0,0|2,0,0]=3 129 B9R1.2 ClCC1=NC=CC(Cl)=N1 Y3254 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.2 N#CC1=CC(N)=CC=N1 6862AC [0,1,0,0,0,0|1,0,1]=3 131 B9R1.2 N#CC1=NC(Br)=NC=C1 3662AA [0,1,0,0,0,0|2,0,1]=4 132 B9R1.2 N#CC1=NC(N)=NC=C1 W5772 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.2 N#CC1=NC=CC(Br)=N1 9718AC [0,1,0,0,0,0|2,0,1]=4 134 B9R1.2 N#CC1=NC=CC(I)=C1 V9049 [0,1,0,0,0,0|1,0,1]=3 135 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [0,1,0,0,0,0|1,1,1]=4 136 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,1,0,0,0,0|2,1,0]=4 137 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [0,1,0,0,0,0|0,1,0]=2 138 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [0,1,0,0,0,0|1,1,1]=4 139 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [0,1,0,0,0,0|0,1,1]=3 140 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [0,1,0,0,0,0|2,0,0]=3 141 B9R1.2 NC1=NC(CO)=CC=N1 1009AB [0,1,0,0,0,0|1,1,0]=3 142 B9R1.2 NCC1=CC(=O)N=CN1 3412AD [0,1,0,0,0,0|2,0,1]=4 143 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [0,1,0,0,0,0|3,0,0]=4 144 B9R1.2 NCC1=CC(Cl)=NC=C1 7154AA [0,1,0,0,0,0|3,0,0]=4 145 B9R1.2 NCC1=CC(F)=NC=C1 Y4072 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.2 NCC1=CC(I)=CC=C1 5352AH [0,1,0,0,0,0|2,0,0]=3 147 B9R1.2 NCC1=CC(N)=NC=C1 5441AJ [0,1,0,0,0,0|3,0,0]=4 148 B9R1.2 NCC1=CC(N)=NC=N1 3584AF [0,1,0,0,0,0|2,0,0]=3 149 B9R1.2 NCC1=CC=CC(=O)N1 Y7390 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.2 NCC1=CC=C[N+]([O-])=C1 2361AL [0,1,0,0,0,0|3,0,0]=4 152 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,1,0,0,0,0|1,0,0]=2 153 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [0,1,0,0,0,0|1,0,0]=2 155 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.2 NNC1=NC(Cl)=NC=C1 U852 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.2 O=C1C=C(CO)C=CN1 5374AA [0,1,0,0,0,0|2,1,0]=4 158 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [0,1,0,0,0,0|0,1,1]=3 159 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [0,1,0,0,0,0|1,1,1]=4 160 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [0,1,0,0,0,0|0,1,1]=3 161 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [0,1,0,0,0,0|2,1,0]=4 163 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [0,1,0,0,0,0|2,1,0]=4 164 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,1,0,0,0,0|1,1,0]=3 165 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [0,1,0,0,0,0|1,1,0]=3 166 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [0,1,0,0,0,0|0,1,0]=2 167 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [0,1,0,0,0,0|1,0,0]=2 169 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [0,1,0,0,0,0|2,0,0]=3 170 B9R1.6 CN(C)C1=NC=NC=C1 3385AB [0,1,0,0,0,0|3,0,0]=4 171 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [0,1,0,0,0,0|3,0,0]=4 172 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,1,0,0,0,0|3,0,0]=4 174 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,1,0,0,0,0|1,1,0]=3 175 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,1,0,0,0,0|2,1,0]=4 176 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [0,1,0,0,0,0|3,0,0]=4 177 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,1,0,0,0,0|2,1,0]=4 178 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.6 FC(F)C1=CC=NC=C1 0239AF [0,1,0,0,0,0|3,0,0]=4 181 B9R1.6 NC(=O)C1=NC=CC=N1 Z3390 [0,1,0,0,0,0|1,1,1]=4 182 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [0,1,0,0,0,0|1,1,1]=4 183 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [0,1,0,0,0,0|1,1,1]=4 184 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,1,0,0,0,0|2,0,1]=4 185 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [0,1,0,0,0,0|1,1,1]=4 186 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [0,1,0,0,0,0|1,1,1]=4 187 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [0,1,0,0,0,0|2,1,0]=4 188 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [0,1,0,0,0,0|1,1,0]=3 189 B9R1.8 BrCCC1=CC=CC=N1 5125AB [0,1,0,0,0,0|1,0,0]=2 190 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [0,1,0,0,0,0|3,0,0]=4 191 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.8 CCNC1=NC=CN=C1 Z2415 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.8 CNCC1=CC=CC=C1 3855AD [0,1,0,0,0,0|2,0,0]=3 194 B9R1.8 CNCC1=CC=CC=N1 0916AP [0,1,0,0,0,0|1,0,0]=2 195 B9R1.8 CNCC1=CC=CC=N1 7146AD [0,1,0,0,0,0|1,0,0]=2 196 B9R1.8 CNCC1=CC=NC=C1 7436AH [0,1,0,0,0,0|3,0,0]=4 197 B9R1.8 CNCC1=CC=NC=N1 6023AD [0,1,0,0,0,0|2,0,0]=3 198 B9R1.8 CNCC1=NC=CC=N1 X8879 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.8 CNCC1=NC=CN=C1 X9439 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.8 CNNC1=CC=CC=C1 V2456 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [0,1,0,0,0,0|2,0,1]=4 202 B9R1.8 ClCCC1=NC=CC=C1 X6257 [0,1,0,0,0,0|1,0,0]=2 203 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.8 N#CNC1=NC=CC=N1 3727AE [0,1,0,0,0,0|2,0,1]=4 205 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,1,0,0,0,0|2,0,0]=3 206 B9R1.8 NCCC1=CN=CC=N1 1878AJ [0,1,0,0,0,0|2,0,0]=3 207 B9R1.8 NCCC1=NC=CC=N1 X3774 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.8 NCCC1=NC=CN=C1 Y9352 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.8 NOCC1=CC=CN=C1 7306AJ [0,1,0,0,0,0|2,1,0]=4 210 B9R1.8 O=CNC1=NC=CC=C1 1807AL [0,1,0,0,0,0|0,1,1]=3 211 B9R1.8 S=C=NC1=CC=CC=N1 3181AH [0,1,0,0,0,0|0,0,2]=3 212 B9R1.8 SCCC1=CC=NC=C1 9519AJ [0,1,0,0,0,0|2,0,0]=3 213 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [0,1,0,0,0,0|2,0,0]=3 214 B9R1.15 C#CC1=C(O)C=CC=C1 7065AB [0,1,0,0,0,0|2,0,1]=4 215 B9R1.15 C#CC1=CC=CC=C1Br 1939AC [0,1,0,0,0,0|2,0,1]=4 216 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [0,1,0,0,0,0|2,0,1]=4 217 B9R1.15 C=CC1=CC=CC=C1N Y8954 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.15 C=CC1=CC=CC=[N+]1C 0254AQ [0,1,0,0,0,0|1,0,2]=4 219 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.15 CC1=C(NN)N=CC=N1 0201AB [0,1,0,0,0,0|3,0,0]=4 223 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,1,0,0,0,0|1,0,0]=2 225 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,1,0,0,0,0|0,1,0]=2 226 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,1,0,0,0,0|3,0,0]=4 227 B9R1.15 CC1=NC=CC=C1CN 8679AB [0,1,0,0,0,0|3,0,0]=4 228 B9R1.15 CC1=NC=CN=C1CCl 2672AC [0,1,0,0,0,0|2,0,0]=3 229 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [0,1,0,0,0,0|3,0,0]=4 230 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [0,1,0,0,0,0|3,0,0]=4 233 B9R1.15 CCC1=CC=CN=C1N 5897AB [0,1,0,0,0,0|3,0,0]=4 234 B9R1.15 CCC1=CC=CNC1=O 9540AB [0,1,0,0,0,0|3,0,0]=4 235 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [0,1,0,0,0,0|1,0,1]=3 236 B9R1.15 CNC1=CC=CC=C1Br 0544AC [0,1,0,0,0,0|3,0,0]=4 237 B9R1.15 COC1=C(N)C=NC=N1 Y7650 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.15 COC1=NC=CC=C1F Z7565 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.15 COC1=NC=CN=C1Br Z3980 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.15 COC1=NN=CC=C1N V2772 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.15 CSC1=NC=CC=C1Br V6364 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.15 CSC1=NC=CN=C1Cl 0040AP [0,1,0,0,0,0|3,0,0]=4 243 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [0,1,0,0,0,0|2,0,0]=3 244 B9R1.15 ClCC1=C(Br)C=NC=C1 5826AJ [0,1,0,0,0,0|3,0,0]=4 245 B9R1.15 ClCC1=NC=CC=C1Br V3162 [0,1,0,0,0,0|1,0,0]=2 246 B9R1.15 ClCC1=NC=CN=C1Cl W6373 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.15 N#CC1=C(Br)C=NC=N1 X4969 [0,1,0,0,0,0|2,0,1]=4 248 B9R1.15 N#CC1=CC=CC=[N+]1[O-] 3018AD [0,1,0,0,0,0|1,0,2]=4 249 B9R1.15 NC1=C(CCl)C=CC=N1 3369AC [0,1,0,0,0,0|3,0,0]=4 250 B9R1.15 NC1=C(CCl)C=CC=N1 4976AH [0,1,0,0,0,0|3,0,0]=4 251 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [0,1,0,0,0,0|2,1,0]=4 252 B9R1.15 NCC1=C(Cl)C=CC=N1 4102AB [0,1,0,0,0,0|1,0,0]=2 253 B9R1.15 NCC1=C(Cl)C=NC=C1 3709AC [0,1,0,0,0,0|3,0,0]=4 254 B9R1.15 NCC1=C(F)C=NC=C1 W8931 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [0,1,0,0,0,0|2,0,0]=3 256 B9R1.15 NCC1=CC=CC=C1N W5201 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [0,1,0,0,0,0|3,0,0]=4 258 B9R1.15 NNC1=C(Cl)C=CC=C1 2065AL [0,1,0,0,0,0|3,0,0]=4 259 B9R1.15 NNC1=NC=CC=C1Br V6518 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.15 NNC1=NC=CC=C1I Z0677 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.15 O=CC1=NC=CC=C1O V2372 [0,1,0,0,0,0|0,1,1]=3 262 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [0,1,0,0,0,0|2,1,0]=4 263 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [0,1,0,0,0,0|2,1,0]=4 264 B9R1.15 OCC1=NC=CC=C1Br W6721 [0,1,0,0,0,0|0,1,0]=2 265 B9R1.15 [O-][N+]1=C(CCl)C=CC=C1 Y8686 [0,1,0,0,0,0|1,0,1]=3 266 B7R1.1 BrCC1=COC=N1 1429AA [0,0,0,0,1,0|2,0,0]=3 267 B7R1.1 BrCC1=NC=CN1 1423AC [0,0,0,0,1,0|2,0,0]=3 268 B7R1.1 BrCC1=NOC=C1 2020AJ [0,0,0,0,1,0|2,0,0]=3 269 B7R1.1 CCC1=CC=NO1 3273AB [0,0,0,0,1,0|3,0,0]=4 270 B7R1.1 CCC1=CNC=N1 6226AL [0,0,0,0,1,0|2,0,0]=3 271 B7R1.1 CCC1=NNC=C1 6654AA [0,0,0,0,1,0|2,0,0]=3 272 B7R1.1 COC1=CC=CO1 2109AL [0,0,0,0,1,0|3,0,0]=4 273 B7R1.1 CSC1=CNC=N1 X6327 [0,0,0,0,1,0|3,0,0]=4 274 B7R1.1 CSC1=NC=CN1 5294AJ [0,0,0,0,1,0|3,0,0]=4 275 B7R1.1 CSC1=NC=CO1 6777AD [0,0,0,0,1,0|3,0,0]=4 276 B7R1.1 ClCC1=CC=NO1 8534AB [0,0,0,0,1,0|3,0,0]=4 277 B7R1.1 ClCC1=COC=N1 0393AC [0,0,0,0,1,0|2,0,0]=3 278 B7R1.1 ClCC1=NC=CN1 1125AC [0,0,0,0,1,0|2,0,0]=3 279 B7R1.1 ClCC1=NC=CS1 1126AC [0,0,0,0,1,0|2,0,0]=3 280 B7R1.1 ClCC1=NC=CS1 W5535 [0,0,0,0,1,0|2,0,0]=3 281 B7R1.1 N#CC1=COC=C1 0818AQ [0,0,0,0,1,0|2,0,1]=4 282 B7R1.1 N#CC1=COC=N1 Y5469 [0,0,0,0,1,0|2,0,1]=4 283 B7R1.1 N#CC1=NSC=C1 7174AA [0,0,0,0,1,0|2,0,1]=4 284 B7R1.1 NCC1=CC=CN1 W7617 [0,0,0,0,1,0|1,0,1]=3 285 B7R1.1 NCC1=CC=NO1 6076AB [0,0,0,0,1,0|3,0,0]=4 286 B7R1.1 NCC1=CN=CS1 7784AH [0,0,0,0,1,0|3,0,0]=4 287 B7R1.1 NCC1=CNC=C1 4647AC [0,0,0,0,1,0|2,0,0]=3 288 B7R1.1 NCC1=CNC=N1 1263AC [0,0,0,0,1,0|2,0,0]=3 289 B7R1.1 NCC1=CNC=N1 W7724 [0,0,0,0,1,0|2,0,0]=3 290 B7R1.1 NCC1=CNN=N1 9846AH [0,0,0,0,1,0|3,0,0]=4 291 B7R1.1 NCC1=COC=C1 Y9148 [0,0,0,0,1,0|2,0,0]=3 292 B7R1.1 NCC1=COC=N1 Y1477 [0,0,0,0,1,0|2,0,0]=3 293 B7R1.1 NCC1=CON=C1 8978AA [0,0,0,0,1,0|3,0,0]=4 294 B7R1.1 NCC1=CSC=C1 Z3907 [0,0,0,0,1,0|2,0,0]=3 295 B7R1.1 NCC1=CSC=N1 0159AD [0,0,0,0,1,0|2,0,0]=3 296 B7R1.1 NCC1=CSC=N1 8187AA [0,0,0,0,1,0|2,0,0]=3 297 B7R1.1 NCC1=NC=CO1 0960AA [0,0,0,0,1,0|2,0,0]=3 298 B7R1.1 NCC1=NC=NN1 8323AH [0,0,0,0,1,0|3,0,0]=4 299 B7R1.1 NCC1=NOC=C1 3959AJ [0,0,0,0,1,0|2,0,0]=3 300 B7R1.1 NCC1=NOC=N1 1799AE [0,0,0,0,1,0|3,0,0]=4 301 B7R1.1 NNC1=NC=CS1 3138AB [0,0,0,0,1,0|3,0,0]=4 302 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,0,0,0,1,0|1,1,1]=4 303 B7R1.1 O=CC1=NC=CO1 7478AE [0,0,0,0,1,0|1,1,1]=4 304 B7R1.1 O=CC1=NOC=C1 4723AC [0,0,0,0,1,0|1,1,1]=4 305 B7R1.1 OCC1=CNC=N1 W5446 [0,0,0,0,1,0|1,1,0]=3 306 B7R1.1 OCC1=CON=C1 2836AJ [0,0,0,0,1,0|2,1,0]=4 307 B7R1.1 OCC1=NNC=C1 X6393 [0,0,0,0,1,0|1,1,0]=3 308 B7R1.1 OCN1C=CN=C1 9540AF [0,0,0,0,1,0|2,1,0]=4 309 B6R0.4 C=CCCC(=C)C 5696AL [1,0,1,0,0,0|1,0,1]=4 310 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,0,1,0,0,0|1,1,0]=4 311 B6R1.1 C1=CC=NC=C1 9032AJ [2,0,0,0,0,0|0,0,0]=2 312 B6R1.1 C1=CC=NC=C1 I569 [2,0,0,0,0,0|0,0,0]=2 313 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.3 CC1=CN=C(C)N=C1 1431AB [1,1,0,0,0,0|1,0,0]=3 315 B8R1.3 CC1=CNC(=S)N=C1 Z2992 [1,1,0,0,0,0|1,0,1]=4 316 B8R1.3 CC1=NN=C(C)C=C1 X3917 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.3 FC1=NC=C(I)C=N1 0786AC [1,1,0,0,0,0|2,0,0]=4 318 B8R1.3 NC1=CN=C(Br)N=C1 W7027 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.3 NC1=CN=C(N)C=C1 X9372 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.3 NC1=NC=C(O)C=C1 V8126 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.3 NC1=NC=C(O)C=C1 X4178 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.3 NC1=NNC(=O)C=C1 0249AA [1,1,0,0,0,0|2,0,0]=4 323 B8R1.3 S=C1N=CC(Cl)=CN1 0391AQ [1,1,0,0,0,0|1,0,1]=4 324 B8R1.3 SC1=NN=C(Cl)C=C1 2350AE [1,1,0,0,0,0|1,0,0]=3 325 B8R1.3 [O-]C1=CC=C(Cl)C=C1 3305AA [1,1,0,0,0,0|1,1,0]=4 326 B8R1.4 CC1=CC(Cl)=NN=C1 W9219 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.4 CC1=CC(I)=NC=C1 1274AB [1,1,0,0,0,0|1,0,0]=3 328 B8R1.4 CC1=CC(N)=CC=C1 5136AF [1,1,0,0,0,0|1,0,0]=3 329 B8R1.4 CC1=CC(N)=NN=C1 7108AA [1,1,0,0,0,0|2,0,0]=4 330 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [1,1,0,0,0,0|2,0,0]=4 331 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [1,1,0,0,0,0|2,0,0]=4 332 B8R1.4 ClC1=CC(I)=NC=C1 1450AB [1,1,0,0,0,0|1,0,0]=3 333 B8R1.4 ClC1=NC(Br)=NC=C1 4405AC [1,1,0,0,0,0|2,0,0]=4 334 B8R1.4 FC1=CC(Cl)=NC=N1 7159AB [1,1,0,0,0,0|2,0,0]=4 335 B8R1.4 NC1=CC(Br)=CC=C1 J70044 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [1,1,0,0,0,0|1,0,0]=3 337 B8R1.4 NC1=CC(I)=NC=N1 W6793 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.4 NC1=CC=CC(F)=C1 W4217 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.4 NC1=CC=CC(N)=N1 7294AA [1,1,0,0,0,0|1,0,0]=3 340 B8R1.4 NC1=CC=CC(O)=C1 7262AB [1,1,0,0,0,0|1,1,0]=4 341 B8R1.4 NC1=CC=NC(F)=N1 2081AL [1,1,0,0,0,0|2,0,0]=4 342 B8R1.4 NC1=CN=CC(F)=N1 3111AD [1,1,0,0,0,0|2,0,0]=4 343 B8R1.4 NC1=CN=CC(N)=N1 W6186 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [1,1,0,0,0,0|1,0,0]=3 345 B8R1.4 NC1=NC=NC(S)=N1 1686AE [1,1,0,0,0,0|2,0,0]=4 346 B8R1.4 NC1=NN=CC(Cl)=C1 Y1523 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.4 OC1=NC=CC(S)=N1 Z2909 [1,1,0,0,0,0|1,0,0]=3 348 B8R1.4 SC1=CC=CC(S)=C1 4506AL [1,1,0,0,0,0|1,0,0]=3 349 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.5 CC1=C(Cl)N=CN=C1 W6679 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.5 CC1=C(I)C=NC=N1 W9510 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.5 CC1=C(N)N=CC=C1 3663AB [1,1,0,0,0,0|1,0,0]=3 353 B8R1.5 CC1=CC=CC=C1O Z3651 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.5 CC1=CC=NN=C1Cl V2362 [1,1,0,0,0,0|2,0,0]=4 355 B8R1.5 CC1=CC=NN=C1N V8933 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.5 CC1=CN=CN=C1Cl 2777AJ [1,1,0,0,0,0|2,0,0]=4 357 B8R1.5 CC1=NC=CC=C1I 7575AA [1,1,0,0,0,0|0,0,0]=2 358 B8R1.5 CC1=NC=NC=C1N B201 [1,1,0,0,0,0|1,0,0]=3 359 B8R1.5 CC1=NN=CN=C1O 5164AD [1,1,0,0,0,0|2,0,0]=4 360 B8R1.5 ClC1=CC=CN=C1I W8392 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.5 ClC1=CC=NN=C1Cl W3654 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.5 FC1=NC=CN=C1F 4974AE [1,1,0,0,0,0|2,0,0]=4 363 B8R1.5 IC1=C(I)N=CC=C1 0321AF [1,1,0,0,0,0|1,0,0]=3 364 B8R1.5 NC1=CC=CN=C1Br 1627AJ [1,1,0,0,0,0|1,0,0]=3 365 B8R1.5 NC1=CC=CN=C1F 1722AJ [1,1,0,0,0,0|1,0,0]=3 366 B8R1.5 NC1=CC=NN=C1Cl W6981 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.5 NC1=CC=NN=C1N 9138AB [1,1,0,0,0,0|2,0,0]=4 368 B8R1.5 NC1=CN=CN=C1O 5791AH [1,1,0,0,0,0|1,1,0]=4 369 B8R1.5 NC1=NC=NC=C1O 7434AB [1,1,0,0,0,0|2,0,0]=4 370 B8R1.5 O=C1OC=CC=C1O W6519 [1,1,0,0,0,0|1,1,0]=4 371 B8R1.5 OC1=NC=CN=C1O Y4736 [1,1,0,0,0,0|1,1,0]=4 372 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 Z4162 [1,1,0,0,0,0|1,0,1]=4 373 B8R1.1 BrCC1=CSC(Br)=C1 Z2517 [0,1,0,0,1,0|2,0,0]=4 374 B8R1.1 BrCC1=CSC(Br)=N1 9469AA [0,1,0,0,1,0|2,0,0]=4 375 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,1,0,0,1,0|2,0,0]=4 376 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,1,0,0,1,0|2,0,0]=4 377 B8R1.1 CC1=CC=C(CN)S1 Z2080 [0,1,0,0,1,0|2,0,0]=4 378 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,0,1,0|1,1,0]=4 379 B8R1.1 CC1=CN=C(CCl)S1 X4782 [0,1,0,0,1,0|2,0,0]=4 380 B8R1.1 CC1=CN=C(CN)S1 4774AJ [0,1,0,0,1,0|2,0,0]=4 381 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,1,0,0,1,0|2,0,0]=4 382 B8R1.1 CC1=CNC(CN)=N1 8794AH [0,1,0,0,1,0|2,0,0]=4 383 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,1,0,0,1,0|0,1,1]=4 384 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,1,0,0,1,0|2,0,0]=4 385 B8R1.1 CC1=NC(CCl)=CS1 Y8976 [0,1,0,0,1,0|2,0,0]=4 386 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,1,0,0,1,0|2,0,0]=4 387 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,1,0,0,1,0|2,0,0]=4 388 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,1,0,0,1,0|2,0,0]=4 389 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,0,1,0|2,0,0]=4 390 B8R1.1 CCC1=NOC(N)=C1 2151AC [0,1,0,0,1,0|2,0,0]=4 391 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,1,0,0,1,0|2,0,0]=4 392 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,1,0,0,1,0|2,0,0]=4 393 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,1,0,0,1,0|2,0,0]=4 394 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,1,0,0,1,0|1,1,0]=4 395 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,1,0,0,1,0|2,0,0]=4 396 B8R1.1 CN1C=NC(CN)=C1 W6486 [0,1,0,0,1,0|2,0,0]=4 397 B8R1.1 CN1C=NC(CO)=C1 6785AC [0,1,0,0,1,0|1,1,0]=4 398 B8R1.1 ClCC1=CC(Br)=CS1 8780AA [0,1,0,0,1,0|2,0,0]=4 399 B8R1.1 ClCC1=CSC(Br)=N1 7296AB [0,1,0,0,1,0|2,0,0]=4 400 B8R1.1 NC1=NC(CCl)=CS1 1241AC [0,1,0,0,1,0|2,0,0]=4 401 B8R1.1 NCC1=CC=C(Br)S1 9162AB [0,1,0,0,1,0|2,0,0]=4 402 B8R1.1 NCC1=CC=C(Cl)S1 1146AL [0,1,0,0,1,0|2,0,0]=4 403 B8R1.1 NCC1=CC=C(Cl)S1 5432AE [0,1,0,0,1,0|2,0,0]=4 404 B8R1.1 NCC1=NC=C(Br)S1 3893AJ [0,1,0,0,1,0|2,0,0]=4 405 B8R1.1 OCC1=CC(Br)=CO1 8845AB [0,1,0,0,1,0|1,1,0]=4 406 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,1,0,0,1,0|1,1,0]=4 407 B8R1.1 OCC1=CC=C(F)S1 2754AC [0,1,0,0,1,0|1,1,0]=4 408 B8R1.1 OCC1=CSC(Cl)=C1 1477AC [0,1,0,0,1,0|1,1,0]=4 409 B8R1.1 OCC1=NC(Br)=CS1 0499AB [0,1,0,0,1,0|1,1,0]=4 410 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,1,0,0,1,0|1,1,0]=4 411 B8R1.7 CC(N)C1=CC=CO1 7556AD [0,1,0,0,1,0|2,0,0]=4 412 B8R1.7 CC(N)C1=COC=C1 2007AB [0,1,0,0,1,0|2,0,0]=4 413 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,1,0,0,1,0|2,0,0]=4 414 B8R1.7 CC(N)C1=CSC=N1 4743AH [0,1,0,0,1,0|2,0,0]=4 415 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,1,0,0,1,0|0,1,1]=4 416 B8R1.7 CC(O)C1=CNC=N1 1361AL [0,1,0,0,1,0|1,1,0]=4 417 B8R1.7 CC(O)C1=COC=C1 3660AD [0,1,0,0,1,0|1,1,0]=4 418 B8R1.7 FC(F)N1C=CC=N1 5122AC [0,1,0,0,1,0|2,0,0]=4 419 B8R1.8 BrCCC1=CC=CS1 Z5496 [0,1,0,0,1,0|2,0,0]=4 420 B8R1.8 BrCCC1=CSC=C1 W7060 [0,1,0,0,1,0|2,0,0]=4 421 B8R1.8 BrCCN1C=CC=C1 Y4087 [0,1,0,0,1,0|2,0,0]=4 422 B8R1.8 C=CCN1C=CC=N1 9666AH [0,1,0,0,1,0|2,0,0]=4 423 B8R1.8 CCCC1=CC=CO1 Z5525 [0,1,0,0,1,0|2,0,0]=4 424 B8R1.8 CCCC1=CSC=C1 Z5466 [0,1,0,0,1,0|2,0,0]=4 425 B8R1.8 CCNC1=CC=CS1 W4294 [0,1,0,0,1,0|2,0,0]=4 426 B8R1.8 CCNC1=NC=CS1 4125AJ [0,1,0,0,1,0|2,0,0]=4 427 B8R1.8 CNCC1=COC=C1 7832AD [0,1,0,0,1,0|2,0,0]=4 428 B8R1.8 CNCC1=CSC=N1 3622AA [0,1,0,0,1,0|2,0,0]=4 429 B8R1.8 CNCC1=NC=CN1 4097AE [0,1,0,0,1,0|2,0,0]=4 430 B8R1.8 CNCC1=NC=CS1 4356AD [0,1,0,0,1,0|2,0,0]=4 431 B8R1.8 CNCC1=NOC=C1 4335AJ [0,1,0,0,1,0|2,0,0]=4 432 B8R1.8 CNCC1=NOC=C1 7285AH [0,1,0,0,1,0|2,0,0]=4 433 B8R1.8 ClCCC1=CNC=N1 X4176 [0,1,0,0,1,0|2,0,0]=4 434 B8R1.8 ClCCN1C=CC=C1 X4634 [0,1,0,0,1,0|2,0,0]=4 435 B8R1.8 N#CCC1=CC=CN1 1010AJ [0,1,0,0,1,0|1,0,1]=4 436 B8R1.8 N#CCC1=CNC=N1 W3999 [0,1,0,0,1,0|2,0,0]=4 437 B8R1.8 N#CCC1=NNC=C1 Z1629 [0,1,0,0,1,0|2,0,0]=4 438 B8R1.8 NCCC1=CC=CN1 1070AJ [0,1,0,0,1,0|1,0,1]=4 439 B8R1.8 NCCC1=CC=CN1 5556AB [0,1,0,0,1,0|1,0,1]=4 440 B8R1.8 NCCC1=CSC=N1 2066AC [0,1,0,0,1,0|2,0,0]=4 441 B8R1.8 NCCC1=NC=CN1 9985AA [0,1,0,0,1,0|2,0,0]=4 442 B8R1.8 NCCC1=NC=CS1 5806AE [0,1,0,0,1,0|2,0,0]=4 443 B8R1.8 NCCC1=NC=CS1 Y1661 [0,1,0,0,1,0|2,0,0]=4 444 B8R1.8 NCCC1=NNC=C1 4102AD [0,1,0,0,1,0|2,0,0]=4 445 B8R1.8 NCCN1C=CC=C1 3045AB [0,1,0,0,1,0|2,0,0]=4 446 B8R1.8 OCCC1=CSC=C1 J11110 [0,1,0,0,1,0|1,1,0]=4 447 B8R1.8 OCCC1=NNC=C1 1008AJ [0,1,0,0,1,0|1,1,0]=4 448 B8R1.11 CC1=C(CN)C=CO1 8523AH [0,1,0,0,1,0|2,0,0]=4 449 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,1,0,0,1,0|1,1,0]=4 450 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,1,0,0,1,0|1,1,0]=4 451 B8R1.11 CCC1=NNC=C1I 2420AL [0,1,0,0,1,0|2,0,0]=4 452 B8R1.11 CCN1N=CC=C1Br 5279AA [0,1,0,0,1,0|2,0,0]=4 453 B8R1.11 CCN1N=CC=C1I V2890 [0,1,0,0,1,0|2,0,0]=4 454 B8R1.11 CN1C=CC=C1CN Y9856 [0,1,0,0,1,0|1,0,1]=4 455 B8R1.11 CN1C=CC=C1CO 7329AB [0,1,0,0,1,0|0,1,1]=4 456 B8R1.11 CN1C=CN=C1CN 4586AA [0,1,0,0,1,0|2,0,0]=4 457 B8R1.11 ClCC1=C(Cl)SC=C1 B880 [0,1,0,0,1,0|2,0,0]=4 458 B8R1.11 NC1=C(CO)SC=C1 8607AH [0,1,0,0,1,0|1,1,0]=4 459 B8R1.11 NCC1=C(Br)C=CS1 2035AC [0,1,0,0,1,0|2,0,0]=4 460 B8R1.11 NCC1=C(Br)C=CS1 4220AA [0,1,0,0,1,0|2,0,0]=4 461 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [0,2,0,0,0,0|2,0,0]=4 462 B10R1.1 C=CCC1=CC=C(Br)C=C1 7818AD [0,2,0,0,0,0|2,0,0]=4 463 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [0,2,0,0,0,0|2,0,0]=4 464 B10R1.1 C=CCC1=CC=C(F)C=C1 0990AQ [0,2,0,0,0,0|2,0,0]=4 465 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [0,2,0,0,0,0|1,1,0]=4 466 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [0,2,0,0,0,0|2,0,0]=4 467 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [0,2,0,0,0,0|2,0,0]=4 468 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [0,2,0,0,0,0|2,0,0]=4 470 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [0,2,0,0,0,0|2,0,0]=4 471 B10R1.1 CCNC1=NC=C(Br)C=C1 W8816 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.1 CCNC1=NC=C(Br)C=N1 V5881 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [0,2,0,0,0,0|1,0,0]=3 474 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [0,2,0,0,0,0|2,0,0]=4 475 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [0,2,0,0,0,0|1,1,0]=4 476 B10R1.1 N#CCC1=NC=C(Br)C=N1 W8650 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.1 NCCC1=CC=C(Br)C=N1 1783AL [0,2,0,0,0,0|1,0,0]=3 478 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [0,2,0,0,0,0|2,0,0]=4 479 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [0,2,0,0,0,0|2,0,0]=4 480 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [0,2,0,0,0,0|1,1,0]=4 481 B10R1.1 NOCC1=CC=C(Cl)C=C1 X4802 [0,2,0,0,0,0|1,1,0]=4 482 B10R1.3 C#CC1=CC=C(CN)C=C1 0181AB [0,2,0,0,0,0|2,0,0]=4 483 B10R1.3 C#CC1=CC=C(OC)N=C1 0197AC [0,2,0,0,0,0|2,0,0]=4 484 B10R1.3 C=CC1=CC=C(CN)C=C1 X4444 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.3 CCC1=CC=C(CN)C=C1 9087AE [0,2,0,0,0,0|2,0,0]=4 486 B10R1.3 CCC1=CC=C(NN)C=C1 8775AH [0,2,0,0,0,0|2,0,0]=4 487 B10R1.3 CCC1=CN=C(CN)C=C1 8048AB [0,2,0,0,0,0|1,0,0]=3 488 B10R1.3 CCC1=NC=C(C=O)C=N1 S530 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.3 CNC1=NC=C(C=O)C=C1 8681AE [0,2,0,0,0,0|2,0,0]=4 490 B10R1.3 COC1=CC=C(CN)C=N1 V4770 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.3 COC1=CN=C(CCl)C=C1 2740AC [0,2,0,0,0,0|1,0,0]=3 492 B10R1.3 COC1=NC=C(CBr)C=C1 Y7368 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.3 COC1=NC=C(CCl)C=C1 3509AA [0,2,0,0,0,0|2,0,0]=4 494 B10R1.3 CSC1=CC=C(CCl)C=C1 I304 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.3 CSC1=NC=C(C=O)C=C1 Z0204 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.3 N#CC1=CC=C(C#N)N=C1 0616AB [0,2,0,0,0,0|1,0,1]=4 497 B10R1.3 N#CC1=CC=C(CN)C=N1 5786AH [0,2,0,0,0,0|1,0,1]=4 498 B10R1.3 N#CC1=CC=C(CN)C=N1 9499AA [0,2,0,0,0,0|1,0,1]=4 499 B10R1.3 N#CC1=CN=C(CBr)C=C1 Z4225 [0,2,0,0,0,0|1,0,0]=3 500 B10R1.3 N#CC1=CN=C(CCl)C=C1 2881AC [0,2,0,0,0,0|1,0,0]=3 501 B10R1.3 N#CC1=CN=C(CO)C=C1 3483AB [0,2,0,0,0,0|0,1,0]=3 502 B10R1.3 N#CC1=NC=C(NN)C=C1 6047AC [0,2,0,0,0,0|1,0,1]=4 503 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [0,2,0,0,0,0|1,0,0]=3 504 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 Z4894 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [0,2,0,0,0,0|2,0,0]=4 506 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [0,2,0,0,0,0|2,0,0]=4 507 B10R1.13 CC(N)C1=NC=C(Br)C=C1 3774AC [0,2,0,0,0,0|1,0,0]=3 508 B10R1.13 CC(N)C1=NC=C(F)C=C1 5402AC [0,2,0,0,0,0|1,0,0]=3 509 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [0,2,0,0,0,0|1,1,0]=4 510 B10R1.13 CC(O)C1=NC=C(F)C=N1 W9323 [0,2,0,0,0,0|1,1,0]=4 511 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [0,2,0,0,0,0|1,0,0]=3 512 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [0,2,0,0,0,0|1,0,0]=3 513 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [0,2,0,0,0,0|2,0,0]=4 515 B10R1.13 CC1=CN=C(B(O)O)C=C1 X0752 [0,2,0,0,0,0|1,1,0]=4 516 B10R1.13 CC1=CN=C(B([O-])O)C=C1 X1550 [0,2,0,0,0,0|1,1,0]=4 517 B10R1.13 CN(C)C1=NC=C(N)C=C1 Z8075 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [0,2,0,0,0,0|2,0,0]=4 520 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [0,2,0,0,0,0|2,0,0]=4 521 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [0,2,0,0,0,0|1,1,0]=4 522 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [0,2,0,0,0,0|1,1,0]=4 523 B10R1.13 NC1=CC=C(C(F)F)C=C1 Z1981 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.13 NC1=CC=C(C(F)F)N=C1 5273AC [0,2,0,0,0,0|1,0,0]=3 525 B10R1.13 OB(O)C1=NC=C(F)C=C1 V9453 [0,2,0,0,0,0|1,1,0]=4 526 B10R1.25 C(O)C1=C(Cl)C=C(Br)C=C1 KMA0152 [0,2,0,0,0,0|1,1,0]=4 527 B10R1.25 CC1=C(CN)C=CC(F)=C1 2721AL [0,2,0,0,0,0|2,0,0]=4 528 B10R1.25 CC1=CC(Br)=CN=C1CN Z0423 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.25 CC1=CC(Br)=CN=C1NN Z8425 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.25 CC1=CC(C)=C(CCl)C=C1 0187AF [0,2,0,0,0,0|2,0,0]=4 531 B10R1.25 CC1=CC(C)=C(CO)C=C1 7829AJ [0,2,0,0,0,0|1,1,0]=4 532 B10R1.25 CC1=CC(C)=C(CO)N=C1 0399AB [0,2,0,0,0,0|0,1,0]=3 533 B10R1.25 CC1=CC(N)=CC=C1CO 6079AJ [0,2,0,0,0,0|1,1,0]=4 534 B10R1.25 CC1=CC(O)=CN=C1C#N 1437AB [0,2,0,0,0,0|1,0,1]=4 535 B10R1.25 CC1=CN=C(C#N)C(N)=C1 X8479 [0,2,0,0,0,0|1,0,1]=4 536 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [0,2,0,0,0,0|0,1,1]=4 537 B10R1.25 CCC1=CC=C(Br)C=C1N 3118AJ [0,2,0,0,0,0|2,0,0]=4 538 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.25 CNC1=C(Cl)C=C(N)C=N1 2678AD [0,2,0,0,0,0|2,0,0]=4 540 B10R1.25 CNC1=NC=C(Br)C=C1N V8817 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.25 COC1=NC=C(Br)C=C1O 3121AJ [0,2,0,0,0,0|2,0,0]=4 542 B10R1.25 COC1=NC=C(C)C=C1I Z8220 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.25 COC1=NC=C(C)C=C1O Z8657 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.25 COC1=NC=C(Cl)C=C1Cl 6237AA [0,2,0,0,0,0|2,0,0]=4 545 B10R1.25 COC1=NC=C(F)C=C1F 9839AC [0,2,0,0,0,0|2,0,0]=4 546 B10R1.25 COC1=NC=C(O)C=C1C Y3854 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.25 CSC1=NC=C(Br)C=C1Br Z0015 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.25 CSC1=NC=C(Br)C=C1C Z0037 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.25 ClCC1=C(Cl)C=C(Br)C=C1 9687AA [0,2,0,0,0,0|2,0,0]=4 550 B10R1.25 N#CC1=NC=C(Cl)C=C1F Y8204 [0,2,0,0,0,0|1,0,1]=4 551 B10R1.25 N#CC1=NC=C(Cl)C=C1N 5576AB [0,2,0,0,0,0|1,0,1]=4 552 B10R1.25 NCC1=C(O)C=C(O)C=C1 9679AB [0,2,0,0,0,0|2,0,0]=4 553 B10R1.25 NCC1=CC=C(Br)C=C1Cl 8748AH [0,2,0,0,0,0|2,0,0]=4 554 B10R1.25 NCC1=CC=C(Br)C=C1O 1235AJ [0,2,0,0,0,0|2,0,0]=4 555 B10R1.25 NCC1=CC=C(Cl)C=C1F C294 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.25 NCC1=NC=C(Cl)C=C1Br V3316 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.25 NCC1=NC=C(F)C=C1F 1234AJ [0,2,0,0,0,0|1,0,0]=3 558 B10R1.25 NCC1=NC=C(F)C=C1F Y4056 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.25 NNC1=C(I)C=C(Cl)C=N1 5825AH [0,2,0,0,0,0|2,0,0]=4 560 B10R1.25 O=CC1=NC=C(Br)C=C1Br 4900AC [0,2,0,0,0,0|0,1,1]=4 561 B10R1.25 O=CC1=NC=C(Cl)C=C1Br Y3906 [0,2,0,0,0,0|0,1,1]=4 562 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl W6408 [0,2,0,0,0,0|0,1,1]=4 563 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 2625AB [0,2,0,0,0,0|0,1,0]=3 564 B10R1.25 OCC1=NC=C(Br)C=C1Br 4357AA [0,2,0,0,0,0|0,1,0]=3 565 B10R1.25 SCC1=C(Cl)C=C(Cl)C=C1 X4598 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.176 CC1=C(Br)C=C(CO)N=C1 8751AH [0,2,0,0,0,0|0,1,0]=3 567 B10R1.176 CC1=C(Br)C=CC(CO)=N1 Z0160 [0,2,0,0,0,0|0,1,0]=3 568 B10R1.176 CC1=C(F)C=C(CBr)C=C1 7166AA [0,2,0,0,0,0|2,0,0]=4 569 B10R1.176 CC1=C(N)C=CC(C#N)=N1 6202AA [0,2,0,0,0,0|1,0,1]=4 570 B10R1.176 CC1=C(O)C=CC(CO)=C1 9583AA [0,2,0,0,0,0|1,1,0]=4 571 B10R1.176 CC1=C(O)C=CC(CO)=N1 6598AB [0,2,0,0,0,0|0,1,0]=3 572 B10R1.176 CC1=CC(C#N)=NC=C1Br W9127 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.176 CC1=CC(CN)=CC=C1Br W3251 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.176 CC1=CC(CO)=CC=C1Cl Z0082 [0,2,0,0,0,0|1,1,0]=4 575 B10R1.176 CC1=CC(CO)=CC=C1N 2117AF [0,2,0,0,0,0|1,1,0]=4 576 B10R1.176 CC1=CC=C(CBr)C=C1C W9680 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.176 CC1=NC(C=O)=CC=C1F 4137AC [0,2,0,0,0,0|0,1,1]=4 578 B10R1.176 CC1=NC(NN)=CC=C1Br V5729 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [0,2,0,0,0,0|2,0,0]=4 580 B10R1.176 CCC1=CC(F)=C(N)C=C1 3498AA [0,2,0,0,0,0|2,0,0]=4 581 B10R1.176 CCC1=CC(N)=C(F)C=C1 7951AA [0,2,0,0,0,0|2,0,0]=4 582 B10R1.176 CCC1=CC(N)=C(N)C=C1 2716AA [0,2,0,0,0,0|2,0,0]=4 583 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [0,2,0,0,0,0|2,0,0]=4 584 B10R1.176 CNC1=NC=C(Br)C(C)=C1 V3524 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.176 COC1=CC(Br)=C(F)C=N1 4132AC [0,2,0,0,0,0|2,0,0]=4 586 B10R1.176 COC1=CC=C(Cl)C(C)=N1 Z8658 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.176 COC1=NC(C)=C(F)C=C1 N171 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.176 COC1=NC=C(Cl)C(I)=C1 9719AL [0,2,0,0,0,0|2,0,0]=4 589 B10R1.176 COC1=NC=C(Cl)C(O)=C1 Y3794 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.176 COC1=NC=C(F)C(N)=C1 8645AB [0,2,0,0,0,0|2,0,0]=4 591 B10R1.176 CSC1=NC(C)=C(Br)C=C1 Z0023 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 2257AC [0,2,0,0,0,0|2,0,0]=4 593 B10R1.176 FC1=CC(CCl)=CC=C1Br Z8298 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.176 FC1=CC(CCl)=CC=C1Cl X2645 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.176 N#CC1=CC=C(N)C(Br)=N1 3105AC [0,2,0,0,0,0|1,0,1]=4 596 B10R1.176 NC1=C(N)C=C(CO)C=C1 7078AE [0,2,0,0,0,0|1,1,0]=4 597 B10R1.176 NC1=CC=C(CO)C=C1Cl 1122AL [0,2,0,0,0,0|1,1,0]=4 598 B10R1.176 NCC1=CC=C(Br)C(F)=C1 1145AD [0,2,0,0,0,0|2,0,0]=4 599 B10R1.176 NCC1=CC=C(Cl)C(Br)=C1 V7987 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.176 O=C1C=C(CCl)OC=C1O 1801AL [0,2,0,0,0,0|2,0,0]=4 601 B10R1.176 OCC1=CC(O)=C(O)C=C1 5062AB [0,2,0,0,0,0|1,1,0]=4 602 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 Y3989 [0,2,0,0,0,0|1,1,0]=4 603 B10R1.176 OCC1=CC=C(O)C(Cl)=N1 0668AB [0,2,0,0,0,0|0,1,0]=3 604 B10R1.176 OCC1=NC=C(F)C(Cl)=C1 Y7094 [0,2,0,0,0,0|0,1,0]=3 605 B10R1.2 CC1=C(Br)C(C#N)=NC=C1 1147AC [0,2,0,0,0,0|1,0,1]=4 606 B10R1.2 CC1=C(O)C(CN)=CC=C1 5527AB [0,2,0,0,0,0|2,0,0]=4 607 B10R1.2 CCC1=CC=CC(C)=C1C Y4741 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.2 COC1=C(I)C(N)=CC=N1 3211AA [0,2,0,0,0,0|2,0,0]=4 609 B10R1.2 COC1=NC=CC(Br)=C1C 2150AA [0,2,0,0,0,0|2,0,0]=4 610 B10R1.2 COC1=NC=CC(C)=C1N 9447AA [0,2,0,0,0,0|2,0,0]=4 611 B10R1.2 FC1=C(F)C(CCl)=CC=C1 6164AB [0,2,0,0,0,0|2,0,0]=4 612 B10R1.2 NC1=C(F)C(CO)=CC=C1 X8740 [0,2,0,0,0,0|1,1,0]=4 613 B10R1.2 NCC1=CC=CC(Br)=C1F X9219 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.2 OCC1=CC=CC(Br)=C1Cl 5817AJ [0,2,0,0,0,0|1,1,0]=4 615 B10R1.2 OCC1=CC=CC(F)=C1Cl 6765AC [0,2,0,0,0,0|1,1,0]=4 616 B10R1.2 OCC1=CC=CC(I)=C1Br 5042AA [0,2,0,0,0,0|1,1,0]=4 617 B10R1.8 CC1=CC(Br)=CC(CCl)=C1 Z6819 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.8 CC1=CC(Br)=CC(CO)=C1 V7111 [0,2,0,0,0,0|1,1,0]=4 619 B10R1.8 CC1=CC(C)=CC(CCl)=C1 2613AB [0,2,0,0,0,0|2,0,0]=4 620 B10R1.8 CC1=CC(C)=NC(CN)=N1 0164AD [0,2,0,0,0,0|2,0,0]=4 621 B10R1.8 CC1=CC(C)=NC(CO)=N1 7790AB [0,2,0,0,0,0|1,1,0]=4 622 B10R1.8 CC1=CC(CBr)=NC(C)=C1 4858AH [0,2,0,0,0,0|1,0,0]=3 623 B10R1.8 CC1=CC(CBr)=NC(C)=C1 Y5556 [0,2,0,0,0,0|1,0,0]=3 624 B10R1.8 CC1=CC(CN)=NC(C)=C1 Y4026 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.8 CC1=CC(CO)=NC(C)=C1 Y5315 [0,2,0,0,0,0|0,1,0]=3 626 B10R1.8 CC1=CC(Cl)=CC(C#N)=N1 1050AA [0,2,0,0,0,0|1,0,1]=4 627 B10R1.8 CC1=CC(Cl)=NC(C#N)=C1 0732AB [0,2,0,0,0,0|1,0,1]=4 628 B10R1.8 CC1=CC(O)=CC(CO)=C1 9062AB [0,2,0,0,0,0|1,1,0]=4 629 B10R1.8 CC1=NC(CCl)=CC(O)=N1 4371AB [0,2,0,0,0,0|2,0,0]=4 630 B10R1.8 CCC1=CC(C)=CC(C)=C1 6770AL [0,2,0,0,0,0|2,0,0]=4 631 B10R1.8 CCC1=CC(C)=CC(O)=C1 0816AC [0,2,0,0,0,0|2,0,0]=4 632 B10R1.8 CCC1=CC(N)=NC(C)=N1 2639AF [0,2,0,0,0,0|2,0,0]=4 633 B10R1.8 CCC1=CC(N)=NC(N)=N1 7174AB [0,2,0,0,0,0|2,0,0]=4 634 B10R1.8 CCC1=NC(C)=NC(Cl)=C1 4939AC [0,2,0,0,0,0|2,0,0]=4 635 B10R1.8 CCC1=NC(Cl)=CC(N)=N1 W9837 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.8 FC1=CC(CCl)=CC(Cl)=C1 V7812 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.8 NC1=CC(CO)=CC(Cl)=C1 2489AC [0,2,0,0,0,0|1,1,0]=4 638 B10R1.8 OCC1=CC(I)=CC(Br)=C1 X5186 [0,2,0,0,0,0|1,1,0]=4 639 B10R1.10 C=CCC1=CC(Br)=CC=C1 6124AD [0,2,0,0,0,0|2,0,0]=4 640 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [0,2,0,0,0,0|2,0,0]=4 641 B10R1.10 CC1=CC=CC(CCO)=N1 Y4754 [0,2,0,0,0,0|0,1,0]=3 642 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [0,2,0,0,0,0|2,0,0]=4 643 B10R1.10 CCCC1=CC(O)=CC=N1 2583AA [0,2,0,0,0,0|1,0,0]=3 644 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [0,2,0,0,0,0|1,0,0]=3 645 B10R1.10 CCCC1=NC=CC(N)=N1 1873AJ [0,2,0,0,0,0|2,0,0]=4 646 B10R1.10 CCNC1=CC=CC(Cl)=C1 W3328 [0,2,0,0,0,0|2,0,0]=4 647 B10R1.10 CCNC1=CC=CC(O)=C1 W2908 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.10 CCNC1=CN=CC(Cl)=N1 V9758 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.10 CCOC1=CC(=O)C=CN1 0560AA [0,2,0,0,0,0|1,0,1]=4 650 B10R1.10 CCOC1=CC(S)=CC=C1 L529 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.10 CCOC1=CC=CC(N)=N1 Y4042 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.10 CCOC1=NC(Cl)=NC=C1 Z2534 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.10 CCOC1=NC=CC(=O)N1 Z2552 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.10 CCOC1=NC=CC(Cl)=C1 W8817 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.10 CCSC1=NC=CC(N)=N1 5302AE [0,2,0,0,0,0|2,0,0]=4 656 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [0,2,0,0,0,0|2,0,0]=4 657 B10R1.10 CNCC1=NC=CC(C)=C1 8285AC [0,2,0,0,0,0|1,0,0]=3 658 B10R1.10 N#CCC1=CC(O)=CC=C1 5340AH [0,2,0,0,0,0|2,0,0]=4 659 B10R1.10 N#CCC1=NC(Cl)=CC=C1 Y6377 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.10 N#CCC1=NC(F)=CC=C1 3329AB [0,2,0,0,0,0|1,0,0]=3 661 B10R1.10 NCCC1=CC=CC(Br)=N1 5436AB [0,2,0,0,0,0|1,0,0]=3 662 B10R1.10 NCCC1=NC(Br)=CC=C1 5025AA [0,2,0,0,0,0|1,0,0]=3 663 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [0,2,0,0,0,0|2,0,0]=4 664 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [0,2,0,0,0,0|1,1,0]=4 665 B10R1.10 O=CNC1=NC=CC(Br)=C1 Z9862 [0,2,0,0,0,0|0,1,1]=4 666 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 6706AB [0,2,0,0,0,0|2,0,0]=4 667 B10R1.30 CC1=C(C=O)N=C(Cl)C=C1 1066AD [0,2,0,0,0,0|0,1,1]=4 668 B10R1.30 CC1=C(CCl)C=C(F)C=C1 7535AD [0,2,0,0,0,0|2,0,0]=4 669 B10R1.30 CC1=CC=C(C)C(C#N)=N1 0507AC [0,2,0,0,0,0|1,0,1]=4 670 B10R1.30 CC1=CC=C(F)C(C#N)=N1 Y7245 [0,2,0,0,0,0|1,0,1]=4 671 B10R1.30 CC1=CC=C(O)C(CCl)=N1 6881AC [0,2,0,0,0,0|1,0,0]=3 672 B10R1.30 CC1=CC=C(O)C=C1CO Y3987 [0,2,0,0,0,0|1,1,0]=4 673 B10R1.30 CCN1N=C(Cl)C=CC1=O 3501AJ [0,2,0,0,0,0|2,0,0]=4 674 B10R1.30 CNC1=NC(Cl)=CC=C1N 4858AC [0,2,0,0,0,0|2,0,0]=4 675 B10R1.30 COC1=C(Br)C=CC(Br)=N1 Y2450 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.30 ClC1=C(CBr)C=C(Br)C=C1 7487AA [0,2,0,0,0,0|2,0,0]=4 677 B10R1.30 ClC1=C(CBr)C=C(I)C=C1 2023AL [0,2,0,0,0,0|2,0,0]=4 678 B10R1.30 ClCC1=CC(Br)=CC=C1I X3997 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.30 ClCC1=NC(Cl)=CC=C1Cl 6146AE [0,2,0,0,0,0|1,0,0]=3 680 B10R1.30 FC1=CC=C(Br)C=C1CCl Z6500 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.30 N#CC1=NC(Cl)=CC=C1Br 1233AA [0,2,0,0,0,0|1,0,1]=4 682 B10R1.30 N#CC1=NC(N)=CC=C1Br 4143AC [0,2,0,0,0,0|1,0,1]=4 683 B10R1.30 NC1=CC=C(Br)C(C=O)=N1 4362AA [0,2,0,0,0,0|0,1,1]=4 684 B10R1.30 NCC1=C(O)C=CC(N)=C1 2407AC [0,2,0,0,0,0|2,0,0]=4 685 B10R1.30 NCC1=CC(Br)=CC=C1N 2042AC [0,2,0,0,0,0|2,0,0]=4 686 B10R1.30 NCC1=CC(Br)=CC=C1O W7148 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.30 NCC1=CC(F)=CC=C1N 1791AL [0,2,0,0,0,0|2,0,0]=4 688 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 Y6584 [0,2,0,0,0,0|0,1,0]=3 689 B10R1.30 OCC1=NC(Br)=CC=C1Cl 2557AD [0,2,0,0,0,0|0,1,0]=3 690 B10R1.113 CC(C)C1=CC(N)=NC=N1 9682AC [0,2,0,0,0,0|2,0,0]=4 691 B10R1.113 CC(C)C1=CC=CC(N)=N1 W8437 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.113 CC(C)C1=CC=NC(O)=N1 3007AD [0,2,0,0,0,0|2,0,0]=4 693 B10R1.113 CC(C)C1=NC(N)=NC=C1 8543AB [0,2,0,0,0,0|2,0,0]=4 694 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 6890AC [0,2,0,0,0,0|1,0,0]=3 695 B10R1.113 CC(C)C1=NC=CC(N)=N1 2378AA [0,2,0,0,0,0|2,0,0]=4 696 B10R1.113 CC1=CC(C(C)N)=NC=C1 5999AE [0,2,0,0,0,0|1,0,0]=3 697 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,2,0,0,0,0|0,1,1]=4 698 B10R1.113 CC1=CC(C(N)=S)=NC=C1 5196AD [0,2,0,0,0,0|0,0,2]=4 699 B10R1.113 CC1=CC(N(C)C)=NC=C1 0347AB [0,2,0,0,0,0|2,0,0]=4 700 B10R1.113 CC1=CC=CC(B(O)O)=N1 X0753 [0,2,0,0,0,0|1,1,0]=4 701 B10R1.113 CC1=CC=CC(B([O-])O)=N1 X1799 [0,2,0,0,0,0|1,1,0]=4 702 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [0,2,0,0,0,0|2,0,0]=4 703 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [0,2,0,0,0,0|1,1,0]=4 704 B10R1.113 CC1=NC(C(C)N)=CC=C1 9513AH [0,2,0,0,0,0|1,0,0]=3 705 B10R1.113 C[C@@H](N)C1=CC(O)=CC=C1 4775AE [0,2,0,0,0,0|2,0,0]=4 706 B10R1.113 C[C@@H](N)C1=CC=CC(N)=C1 1207AL [0,2,0,0,0,0|2,0,0]=4 707 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 5245AA [0,2,0,0,0,0|1,1,0]=4 708 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 W5400 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.113 FC1=CC(C(Br)Br)=CC=C1 O150 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.113 FC1=CC=CC(C(F)F)=C1 8582AD [0,2,0,0,0,0|2,0,0]=4 711 B10R1.113 FC1=NC(C(F)F)=CC=C1 2272AE [0,2,0,0,0,0|1,0,0]=3 712 B10R1.113 NC(=O)C1=NC(N)=CC=C1 3423AJ [0,2,0,0,0,0|0,1,1]=4 713 B10R1.113 NC1=CC=CC(C(F)F)=C1 4695AB [0,2,0,0,0,0|2,0,0]=4 714 B10R1.113 O=C(O)C1=NC(I)=CC=C1 5470AE [0,2,0,0,0,0|0,1,1]=4 715 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [0,2,0,0,0,0|0,1,1]=4 716 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [0,2,0,0,0,0|0,1,1]=4 717 B10R1.113 OB(O)C1=NC(Br)=CC=C1 X0802 [0,2,0,0,0,0|1,1,0]=4 718 B10R1.113 OB(O)C1=NC(F)=CC=C1 V9108 [0,2,0,0,0,0|1,1,0]=4 719 B10R1.113 OB(O)C1=NC=CC(Cl)=C1 W8932 [0,2,0,0,0,0|1,1,0]=4 720 B10R1.172 CCC1=CC(CN)=NC=C1 3740AA [0,2,0,0,0,0|1,0,0]=3 721 B10R1.172 CCC1=CC(CO)=CC=C1 Z0865 [0,2,0,0,0,0|1,1,0]=4 722 B10R1.172 CCC1=CC=CC(CC)=C1 9285AJ [0,2,0,0,0,0|2,0,0]=4 723 B10R1.172 CCC1=CC=CC(CO)=N1 Z4253 [0,2,0,0,0,0|0,1,0]=3 724 B10R1.172 CCC1=CC=CC(NN)=C1 8644AH [0,2,0,0,0,0|2,0,0]=4 725 B10R1.172 CCC1=NC(C=O)=CC=N1 5047AH [0,2,0,0,0,0|2,0,0]=4 726 B10R1.172 CCC1=NC(CC)=NC=C1 5339AJ [0,2,0,0,0,0|2,0,0]=4 727 B10R1.172 COC1=CC=NC(CCl)=N1 3803AC [0,2,0,0,0,0|2,0,0]=4 728 B10R1.172 COC1=NC(CCl)=CC=C1 5471AB [0,2,0,0,0,0|1,0,0]=3 729 B10R1.172 COC1=NC=CC(CCl)=C1 0006AB [0,2,0,0,0,0|2,0,0]=4 730 B10R1.172 COC1=NC=CC(CCl)=C1 4431AB [0,2,0,0,0,0|2,0,0]=4 731 B10R1.172 COC1=NC=CC(CN)=N1 Y5675 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.172 COC1=NC=CC(SC)=C1 Z0163 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.172 CSC1=CC(C#N)=NC=C1 6852AB [0,2,0,0,0,0|1,0,1]=4 734 B10R1.172 N#CC1=CC(NN)=NC=C1 2981AF [0,2,0,0,0,0|2,0,0]=4 735 B10R1.172 N#CC1=CC=NC(C=O)=C1 2671AA [0,2,0,0,0,0|0,1,1]=4 736 B10R1.172 N#CC1=NC(CBr)=CC=C1 1014AA [0,2,0,0,0,0|1,0,0]=3 737 B10R1.172 N#CC1=NC=CC(CO)=C1 1169AC [0,2,0,0,0,0|1,0,1]=4 738 B10R1.172 NCC1=CC(CO)=CC=C1 W5568 [0,2,0,0,0,0|1,1,0]=4 739 B10R1.172 NCC1=CC=CC(CO)=N1 Y9256 [0,2,0,0,0,0|0,1,0]=3 740 B10R1.172 O=CC1=NC(CO)=CC=C1 Y8988 [0,2,0,0,0,0|0,1,0]=3 741 B10R1.172 OCC1=CC=CC(CBr)=C1 W8601 [0,2,0,0,0,0|1,1,0]=4 742 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [0,2,0,0,0,0|1,1,0]=4 743 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [0,2,0,0,0,0|1,1,0]=4 744 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,2,0,0,0,0|2,0,0]=4 745 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [0,2,0,0,0,0|2,0,0]=4 746 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,2,0,0,0,0|2,0,0]=4 747 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,2,0,0,0,0|2,0,0]=4 748 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,2,0,0,0,0|1,0,0]=3 749 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,2,0,0,0,0|1,1,0]=4 750 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [0,2,0,0,0,0|1,1,0]=4 751 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [0,2,0,0,0,0|2,0,0]=4 754 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,2,0,0,0,0|2,0,0]=4 755 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [0,2,0,0,0,0|2,0,0]=4 756 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,2,0,0,0,0|2,0,0]=4 757 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [0,2,0,0,0,0|0,1,0]=3 758 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [0,2,0,0,0,0|0,1,0]=3 759 B10R1.15 O=C(CBr)C1=NC=CN=C1 Z2340 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,2,0,0,0,0|1,1,0]=4 761 B10R1.28 CC(C)(N)C1=CC=CC=N1 5199AJ [0,2,0,0,0,0|1,0,0]=3 762 B10R1.28 CC(F)(F)C1=CN=CC=N1 8821AC [0,2,0,0,0,0|2,0,0]=4 763 B10R1.28 CC(F)(F)C1=NC=CC=C1 9488AC [0,2,0,0,0,0|1,0,0]=3 764 B10R1.28 C[Sn](C)(C)C1=CC=CC=N1 9304AL [0,2,0,0,0,0|2,0,0]=4 765 B10R1.28 FC(F)(F)C1=CC=NC=N1 Y5275 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.28 F[B-](F)(F)C1=CC=CC=N1 V6629 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,2,0,0,0,0|0,1,1]=4 768 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,2,0,0,0,0|0,1,1]=4 769 B10R1.61 CC(C)C1=C(Br)C=NC=N1 V9534 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [0,2,0,0,0,0|2,0,0]=4 771 B10R1.61 CC(O)C1=NC=CC=C1F N325 [0,2,0,0,0,0|0,1,0]=3 772 B10R1.61 CC1=C(B([O-])O)N=CC=C1 X1814 [0,2,0,0,0,0|1,1,0]=4 773 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [0,2,0,0,0,0|1,0,1]=4 774 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [0,2,0,0,0,0|2,0,0]=4 775 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [0,2,0,0,0,0|2,0,0]=4 776 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [0,2,0,0,0,0|1,1,0]=4 777 B10R1.61 CC1=CC=CC=C1[C@H](C)N W8323 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [0,2,0,0,0,0|1,1,0]=4 779 B10R1.61 CC1=CC=CN=C1B(O)O V9249 [0,2,0,0,0,0|1,1,0]=4 780 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [0,2,0,0,0,0|1,0,0]=3 781 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [0,2,0,0,0,0|2,0,0]=4 782 B10R1.61 C[C@H](N)C1=CC=CC=C1Cl W7853 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.61 FC(F)C1=C(Br)C=CC=N1 1063AD [0,2,0,0,0,0|1,0,0]=3 784 B10R1.61 FC1=CC=CC=C1C(F)F 7228AE [0,2,0,0,0,0|2,0,0]=4 785 B10R1.61 N=C(N)C1=C(Cl)C=CC=N1 2250AJ [0,2,0,0,0,0|1,0,1]=4 786 B10R1.61 OB(O)C1=NC=CC=C1Cl X2960 [0,2,0,0,0,0|1,1,0]=4 787 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [0,2,0,0,0,0|1,0,0]=3 789 B10R1.4 CC1=CC=CC=C1CNN 4794AE [0,2,0,0,0,0|2,0,0]=4 790 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [0,2,0,0,0,0|2,0,0]=4 791 B10R1.4 CCCC1=C(N)C=CC=C1 P410 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.4 CCNC1=C(N)C=CC=N1 0189AE [0,2,0,0,0,0|1,0,0]=3 793 B10R1.4 CCOC1=C(Cl)C=CC=N1 9905AL [0,2,0,0,0,0|1,0,0]=3 794 B10R1.4 CCOC1=CC=CC=C1N 8719AL [0,2,0,0,0,0|2,0,0]=4 795 B10R1.4 CCOC1=NC=CC=C1F 3378AC [0,2,0,0,0,0|1,0,0]=3 796 B10R1.4 CNCC1=C(C)C=CC=N1 1508AF [0,2,0,0,0,0|1,0,0]=3 797 B10R1.4 N#CCC1=C(Cl)C=CC=N1 1101AJ [0,2,0,0,0,0|1,0,0]=3 798 B10R1.4 N#CCC1=C(O)C=CC=C1 7309AA [0,2,0,0,0,0|2,0,0]=4 799 B10R1.4 N#CCC1=NC=CC=C1Br 1096AJ [0,2,0,0,0,0|1,0,0]=3 800 B10R1.4 N#CCC1=NC=CC=C1F 1107AJ [0,2,0,0,0,0|1,0,0]=3 801 B10R1.4 N#CCC1=NC=CN=C1Cl X0224 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.4 NCCC1=CC=CC=C1O Z4391 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [0,2,0,0,0,0|2,0,0]=4 804 B10R1.4 NOCC1=CC=CC=C1F 7325AD [0,2,0,0,0,0|1,1,0]=4 805 B10R1.4 NOCC1=CC=CC=C1I 3260AC [0,2,0,0,0,0|1,1,0]=4 806 B10R1.4 O=CCC1=CC=CC=C1F 1702AC [0,2,0,0,0,0|1,1,0]=4 807 B10R1.4 ONCC1=CC=CC=C1F Z3766 [0,2,0,0,0,0|1,1,0]=4 808 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,2,0,0,0,0|1,0,0]=3 809 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [0,2,0,0,0,0|1,0,0]=3 810 B10R1.17 NCC#CC1=CC=CC=C1 1105AQ [0,2,0,0,0,0|2,0,0]=4 811 B10R1.17 NCCCC1=CC=CC=N1 7820AA [0,2,0,0,0,0|1,0,0]=3 812 B10R1.17 NCCSC1=CC=CC=C1 6800AD [0,2,0,0,0,0|2,0,0]=4 813 B10R1.17 NCCSC1=CC=CC=N1 3135AE [0,2,0,0,0,0|1,0,0]=3 814 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [0,2,0,0,0,0|1,1,0]=4 815 B10R1.17 OCCSC1=CC=CC=C1 K990 [0,2,0,0,0,0|1,1,0]=4 816 B10R1.17 OC\C=C\C1=NC=CC=C1 5626AJ [0,2,0,0,0,0|0,1,0]=3 817 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [0,2,0,0,0,0|2,0,0]=4 818 B10R1.17 [N-]=[N+]=NCC1=CC=CC=N1 6614AE [0,2,0,0,0,0|1,0,0]=3 819 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [0,2,0,0,0,0|1,1,0]=4 820 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [0,2,0,0,0,0|2,0,0]=4 821 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [0,2,0,0,0,0|1,0,0]=3 822 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [0,2,0,0,0,0|2,0,0]=4 823 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,2,0,0,0,0|1,1,0]=4 824 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,2,0,0,0,0|2,0,0]=4 825 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [0,2,0,0,0,0|1,0,0]=3 826 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [0,2,0,0,0,0|1,1,0]=4 827 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,2,0,0,0,0|0,1,0]=3 828 B10R1.20 CCC1=CC=CC=C1NN 6499AD [0,2,0,0,0,0|2,0,0]=4 829 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [0,2,0,0,0,0|2,0,0]=4 830 B10R1.20 CNC1=NC=CC=C1OC 2444AL [0,2,0,0,0,0|2,0,0]=4 831 B10R1.20 COC1=C(CN)C=CC=N1 2549AA [0,2,0,0,0,0|2,0,0]=4 832 B10R1.20 COC1=CC=CN=C1CN 8861AB [0,2,0,0,0,0|1,0,0]=3 833 B10R1.20 COC1=CC=CN=C1CO 8653AH [0,2,0,0,0,0|0,1,0]=3 834 B10R1.20 ClCC1=NC=CN=C1CCl 7070AB [0,2,0,0,0,0|2,0,0]=4 835 B10R1.20 N#CC1=C(C#N)N=CC=C1 8811AA [0,2,0,0,0,0|1,0,1]=4 836 B10R1.20 N#CC1=C(C=O)C=CC=N1 5885AA [0,2,0,0,0,0|1,0,1]=4 837 B10R1.20 N#CC1=C(CO)C=CC=N1 5883AA [0,2,0,0,0,0|1,0,1]=4 838 B10R1.20 N#CC1=CC=CN=C1CCl 3089AC [0,2,0,0,0,0|1,0,0]=3 839 B10R1.20 N#CC1=NC=CC=C1CBr 2766AA [0,2,0,0,0,0|1,0,1]=4 840 B10R1.20 O=CC1=C(CCl)C=CC=C1 1257AJ [0,2,0,0,0,0|2,0,0]=4 841 B10R1.20 OCC1=C(CBr)C=CC=C1 1625AC [0,2,0,0,0,0|1,1,0]=4 842 B10R1.245 CC1=CC=CC(Br)=C1CO 1261AA [0,2,0,0,0,0|1,1,0]=4 843 B10R1.245 FC1=C(CCl)C(Br)=CC=C1 Z7891 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.245 NC1=CC=CC(F)=C1CO 1217AB [0,2,0,0,0,0|1,1,0]=4 845 B10R1.245 OCC1=C(Cl)C=CC=C1Br Y3945 [0,2,0,0,0,0|1,1,0]=4 846 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [0,1,0,1,0,0|1,0,0]=3 847 B10R2.7 C1=CC2=C(C=NN2)N=C1 2555AB [0,1,0,1,0,0|1,0,1]=4 848 B10R2.7 C1=CC2=NC=NC=C2S1 2557AB [0,1,0,1,0,0|1,0,1]=4 849 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [0,1,0,1,0,0|1,0,0]=3 850 B10R2.7 C1=CN=C2CNCC2=C1 V7126 [0,1,0,1,0,0|1,0,0]=3 851 B10R2.7 C1=CN=C2CNCC2=C1 W3224 [0,1,0,1,0,0|1,0,0]=3 852 B10R2.7 C1=CN=C2CNCC2=N1 6417AJ [0,1,0,1,0,0|2,0,0]=4 853 B10R2.7 C1=CN=C2SC=CC2=N1 W6994 [0,1,0,1,0,0|1,0,1]=4 854 B10R2.7 C1=NC=NC2=C1CNC2 3097AA [0,1,0,1,0,0|2,0,0]=4 855 B10R2.7 C1=NC=NC2=C1CNC2 3376AJ [0,1,0,1,0,0|2,0,0]=4 856 B10R2.7 C1=NC=NC2=C1CNC2 W3417 [0,1,0,1,0,0|2,0,0]=4 857 B6R1.2 BrC1=NSC=C1 Z4879 [1,0,0,0,1,0|2,0,0]=4 858 B6R1.2 CC1=CNN=N1 W5081 [1,0,0,0,1,0|2,0,0]=4 859 B6R1.2 CC1=CON=C1 9884AB [1,0,0,0,1,0|2,0,0]=4 860 B6R1.2 CC1=CSN=N1 Y8051 [1,0,0,0,1,0|2,0,0]=4 861 B6R1.2 CC1=NC=CO1 1470AB [1,0,0,0,1,0|1,0,0]=3 862 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,0,1,0|1,0,0]=3 863 B6R1.2 CC1=NON=C1 W4957 [1,0,0,0,1,0|2,0,0]=4 864 B6R1.2 ClC1=NC=CS1 W5278 [1,0,0,0,1,0|2,0,0]=4 865 B6R1.2 NC1=CNC=N1 B191 [1,0,0,0,1,0|2,0,0]=4 866 B6R1.2 NN1C=CC=N1 5269AB [1,0,0,0,1,0|2,0,0]=4 867 B6R1.2 OC1=NC=CS1 W8616 [1,0,0,0,1,0|1,1,0]=4