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|3,1,0]=4 2 B8R1.2 C=CC1=NC=CN=C1 R581 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.2 CC[N+]1=CC=CC=C1 E438 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 CNC1=CN=CN=C1 5460AB [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 CNC1=NN=CC=N1 4345AJ [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 COC1=CC=NN=C1 Z5489 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 ClCC1=CN=CC=N1 0741AB [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 N#CC1=CC=NN=C1 X2036 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 NCC1=CC=CC=C1 7149AL [0,0,0,0,0,0|4,0,0]=4 11 B8R1.2 NCC1=CC=NC=N1 Y7101 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 NCC1=CC=NN=C1 X9904 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.2 NCC1=CN=NC=C1 0175AP [0,0,0,0,0,0|4,0,0]=4 14 B8R1.2 NCC1=NC=NC=C1 9281AB [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 NCC1=NN=CC=C1 5795AC [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 NNC1=NN=CC=C1 5599AB [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 NNC1=NN=CC=C1 X0228 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 O=CC1=CN=NC=C1 7044AB [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 O=CC1=NC=CC=N1 Y3220 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 O=CC1=NC=CN=C1 X7048 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.2 OCC1=CC=NC=N1 W5525 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 OCC1=CN=NC=C1 7045AB [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 OCC1=NC=CN=C1 W7769 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 OCC1=NN=CC=C1 W5830 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 BrC1=CC=NC=N1 2731AJ [1,0,0,0,0,0|3,0,0]=4 27 B7R1.3 BrC1=CN=NC=C1 Z1972 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.3 CC1=CCC=CC1 7751AF [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 C[N+]1=CC=CC=C1 1581AB [1,0,0,0,0,0|3,0,0]=4 30 B7R1.3 C[N+]1=CC=CC=C1 K323 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 ClC1=NN=CC=C1 X0225 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.3 FC1=CN=CN=C1 W7798 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 IC1=CN=CN=C1 W5347 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 NC1=CC=CC=C1 7089AL [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [1,0,0,0,0,0|2,1,0]=4 36 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.1 C#CC1=CC=C(Cl)N=C1 2313AB [0,1,0,0,0,0|2,0,1]=4 38 B9R1.1 C#CC1=CN=C(F)C=C1 3250AC [0,1,0,0,0,0|2,0,1]=4 39 B9R1.1 C#CC1=NC=C(Cl)C=C1 3376AA [0,1,0,0,0,0|2,0,1]=4 40 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [0,1,0,0,0,0|2,0,1]=4 42 B9R1.1 CC1=CN=C(C#N)C=N1 Y5118 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 CC1=CN=C(CN)C=N1 N635 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 CC1=NC=C(NN)C=C1 0173AB [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.1 CCC1=CN=C(N)N=C1 W5969 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,0,0,0|2,0,1]=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|1,0,0]=2 57 B9R1.1 COC1=CC=C(C)N=C1 8055AB [0,1,0,0,0,0|1,0,0]=2 58 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [0,1,0,0,0,0|0,0,0]=1 59 B9R1.1 COC1=CN=C(I)C=N1 6098AC [0,1,0,0,0,0|0,0,0]=1 60 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [0,1,0,0,0,0|1,1,0]=3 61 B9R1.1 CSC1=NC=C(C)C=N1 Z2994 [0,1,0,0,0,0|2,1,0]=4 62 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [0,1,0,0,0,0|1,1,0]=3 63 B9R1.1 CSC1=NC=C(Cl)C=N1 2139AL [0,1,0,0,0,0|2,1,0]=4 64 B9R1.1 CSC1=NC=C(O)C=N1 Z4789 [0,1,0,0,0,0|2,1,0]=4 65 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [0,1,0,0,0,0|3,0,0]=4 68 B9R1.1 N#CC1=CN=C(I)C=C1 V4938 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.1 N#CC1=CN=C(O)C=C1 W9711 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.1 NC1=CC=C(CO)C=N1 U962 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.1 NCC1=CN=C(Cl)C=N1 1378AA [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.1 NNC1=CN=C(Cl)C=N1 3082AB [0,1,0,0,0,0|2,0,0]=3 74 B9R1.1 NNC1=NC=C(Br)N=C1 0093AA [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 C#CC1=CN=CC(Cl)=C1 X7082 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.2 C#CC1=NC=CC(Br)=C1 3384AA [0,1,0,0,0,0|2,0,1]=4 78 B9R1.2 C#CC1=NC=CC(N)=C1 0256AC [0,1,0,0,0,0|2,0,1]=4 79 B9R1.2 C=CC1=CC(Br)=CN=C1 9938AA [0,1,0,0,0,0|2,0,1]=4 80 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [0,1,0,0,0,0|2,0,1]=4 81 B9R1.2 C=CC1=NC=CC(Cl)=C1 6889AC [0,1,0,0,0,0|2,0,1]=4 82 B9R1.2 C=CC1=NC=CC(N)=C1 0535AA [0,1,0,0,0,0|2,0,1]=4 83 B9R1.2 CC1=CC(C#N)=CN=C1 5922AB [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,1,0,0,0,0|2,0,0]=3 89 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [0,1,0,0,0,0|2,0,0]=3 90 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [0,1,0,0,0,0|2,0,0]=3 93 B9R1.2 CCC1=CC(N)=NC=N1 3305AC [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,0,0,0|2,0,0]=3 95 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 CNC1=CC(O)=NC=N1 2155AA [0,1,0,0,0,0|3,0,0]=4 98 B9R1.2 CNC1=NC(N)=NC=C1 0200AA [0,1,0,0,0,0|3,0,0]=4 99 B9R1.2 CNC1=NC=CC(C)=N1 Z2893 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.2 CNC1=NC=CC(N)=N1 Z3321 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.2 COC1=CC(=O)NC=C1 W6732 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.2 COC1=CC(=O)NN=C1 X9569 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 COC1=CC(C)=CN=C1 2251AC [0,1,0,0,0,0|1,0,0]=2 104 B9R1.2 COC1=CN=CC(I)=C1 1202AF [0,1,0,0,0,0|1,0,0]=2 105 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [0,1,0,0,0,0|1,0,0]=2 106 B9R1.2 COC1=C[N+]([O-])=CC=C1 7428AA [0,1,0,0,0,0|1,0,1]=3 107 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,1,0,0,0,0|0,0,0]=1 108 B9R1.2 COC1=NC=NC(N)=N1 X4854 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [0,1,0,0,0,0|0,1,0]=2 110 B9R1.2 CSC1=NC=CC(Br)=N1 W9785 [0,1,0,0,0,0|2,1,0]=4 111 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [0,1,0,0,0,0|1,1,0]=3 112 B9R1.2 CSC1=NC=CC(N)=C1 6074AJ [0,1,0,0,0,0|1,1,0]=3 113 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [0,1,0,0,0,0|3,0,0]=4 114 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [0,1,0,0,0,0|3,0,0]=4 117 B9R1.2 N#CC1=CC(N)=CC=N1 6862AC [0,1,0,0,0,0|3,0,0]=4 118 B9R1.2 N#CC1=NC=CC(I)=C1 V9049 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [0,1,0,0,0,0|3,0,0]=4 121 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [0,1,0,0,0,0|3,0,0]=4 122 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [0,1,0,0,0,0|3,0,0]=4 123 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,1,0,0,0,0|3,0,0]=4 125 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [0,1,0,0,0,0|3,0,0]=4 127 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [0,1,0,0,0,0|3,0,0]=4 129 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.2 O=CC1=CN=CC(Cl)=C1 W9911 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [0,1,0,0,0,0|2,0,0]=3 132 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [0,1,0,0,0,0|3,0,0]=4 133 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [0,1,0,0,0,0|3,0,0]=4 135 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [0,1,0,0,0,0|2,0,0]=3 136 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [0,1,0,0,0,0|3,0,0]=4 137 B9R1.6 CC(=O)C1=CC=NN=C1 W6606 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [0,1,0,0,0,0|2,0,0]=3 140 B9R1.6 CC(N)C1=CN=CN=C1 9547AH [0,1,0,0,0,0|3,0,0]=4 141 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [0,1,0,0,0,0|2,0,0]=3 142 B9R1.6 CN(C)C1=NC=NC=C1 3385AB [0,1,0,0,0,0|3,0,0]=4 143 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [0,1,0,0,0,0|1,0,0]=2 144 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,1,0,0,0,0|3,0,0]=4 146 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,1,0,0,0,0|1,1,0]=3 147 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,1,0,0,0,0|2,0,0]=3 148 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [0,1,0,0,0,0|2,0,0]=3 149 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,1,0,0,0,0|2,0,0]=3 150 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,1,0,0,0,0|3,0,0]=4 151 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,1,0,0,0,0|3,0,0]=4 153 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 X3371 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.8 BrCCC1=CC=CC=N1 5125AB [0,1,0,0,0,0|2,0,0]=3 156 B9R1.8 CCNC1=NC=CN=C1 Z2415 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.8 CNCC1=CC=CC=C1 3855AD [0,1,0,0,0,0|3,0,0]=4 158 B9R1.8 CNCC1=CC=CC=N1 0916AP [0,1,0,0,0,0|2,0,0]=3 159 B9R1.8 CNCC1=CC=CC=N1 7146AD [0,1,0,0,0,0|2,0,0]=3 160 B9R1.8 CNCC1=CC=NC=N1 6023AD [0,1,0,0,0,0|3,0,0]=4 161 B9R1.8 CNCC1=NC=CC=N1 X8879 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.8 CNCC1=NC=CN=C1 X9439 [0,1,0,0,0,0|1,0,0]=2 163 B9R1.8 CNNC1=CC=CC=C1 V2456 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [0,1,0,0,0,0|3,0,0]=4 165 B9R1.8 ClCCC1=NC=CC=C1 X6257 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,1,0,0,0,0|3,0,0]=4 167 B9R1.8 NCCC1=CN=CC=N1 1878AJ [0,1,0,0,0,0|1,0,0]=2 168 B9R1.8 NCCC1=NC=CC=N1 X3774 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.8 NCCC1=NC=CN=C1 Y9352 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.8 NOCC1=CC=CN=C1 7306AJ [0,1,0,0,0,0|2,0,0]=3 171 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.8 O=CNC1=NC=CC=C1 1807AL [0,1,0,0,0,0|2,0,1]=4 173 B9R1.8 OCCC1=CN=CN=C1 W8980 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.8 S=C=NC1=CC=CC=N1 3181AH [0,1,0,0,0,0|2,0,1]=4 175 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.15 CC1=C(NN)C=NC=C1 2421AC [0,1,0,0,0,0|3,0,0]=4 178 B9R1.15 CC1=C(NN)N=CC=N1 0201AB [0,1,0,0,0,0|2,0,0]=3 179 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,1,0,0,0,0|3,0,0]=4 181 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,1,0,0,0,0|3,0,0]=4 182 B9R1.15 CC1=NC=CC=C1CN 8679AB [0,1,0,0,0,0|3,0,0]=4 183 B9R1.15 CC1=NC=CN=C1CCl 2672AC [0,1,0,0,0,0|2,0,0]=3 184 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [0,1,0,0,0,0|2,0,0]=3 185 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [0,1,0,0,0,0|2,0,0]=3 187 B9R1.15 CCC1=CC=CN=C1N 5897AB [0,1,0,0,0,0|2,0,0]=3 188 B9R1.15 CCC1=CC=CNC1=O 9540AB [0,1,0,0,0,0|2,0,1]=4 189 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [0,1,0,0,0,0|2,0,1]=4 190 B9R1.15 CNC1=CC=CC=C1Br 0544AC [0,1,0,0,0,0|3,0,0]=4 191 B9R1.15 CNC1=CC=CN=C1Cl N415 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.15 CNC1=CC=CN=C1N 8234AB [0,1,0,0,0,0|2,0,0]=3 193 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.15 COC1=C(Br)C=CN=C1 X9457 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.15 COC1=C(C)C=NC=C1 V9875 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.15 COC1=C(N)C=NC=N1 Y7650 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.15 COC1=C(O)C=NC=C1 7687AA [0,1,0,0,0,0|3,0,0]=4 199 B9R1.15 COC1=C(O)N=CN=C1 Y4974 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.15 COC1=CC=NC=C1I 4852AC [0,1,0,0,0,0|3,0,0]=4 201 B9R1.15 COC1=CN=CN=C1O 1033AC [0,1,0,0,0,0|2,0,0]=3 202 B9R1.15 COC1=NC=CC=C1F Z7565 [0,1,0,0,0,0|1,0,0]=2 203 B9R1.15 COC1=NC=CN=C1Br Z3980 [0,1,0,0,0,0|0,0,0]=1 204 B9R1.15 COC1=NN=CC=C1N V2772 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.15 CSC1=NC=CC=C1Br V6364 [0,1,0,0,0,0|1,1,0]=3 206 B9R1.15 CSC1=NC=CN=C1Cl 0040AP [0,1,0,0,0,0|0,1,0]=2 207 B9R1.15 ClCC1=NC=CC=C1Br V3162 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.15 ClCC1=NC=CN=C1Cl W6373 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.15 N#CC1=C(Br)C=CN=C1 B519 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.15 N#CC1=C(I)N=CC=C1 V6164 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.15 N#CC1=C(N)C=CN=C1 Y7671 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.15 NC1=C(CCl)C=CC=N1 3369AC [0,1,0,0,0,0|3,0,0]=4 213 B9R1.15 NC1=C(CCl)C=CC=N1 4976AH [0,1,0,0,0,0|3,0,0]=4 214 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.15 NCC1=C(Cl)C=CC=N1 4102AB [0,1,0,0,0,0|3,0,0]=4 216 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [0,1,0,0,0,0|3,0,0]=4 217 B9R1.15 NNC1=C(Cl)N=CC=C1 2782AA [0,1,0,0,0,0|3,0,0]=4 218 B9R1.15 NNC1=NC=CC=C1Br V6518 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.15 NNC1=NC=CC=C1I Z0677 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.15 O=CC1=CN=CC=C1Br W3357 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.15 O=CC1=NC=CC=C1O V2372 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [0,1,0,0,0,0|3,0,0]=4 224 B9R1.15 OCC1=NC=CC=C1Br W6721 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,0,1,0,0,0|3,0,0]=4 226 B7R1.1 BrCC1=COC=N1 1429AA [0,0,0,0,1,0|3,0,0]=4 227 B7R1.1 BrCC1=NC=CN1 1423AC [0,0,0,0,1,0|2,0,1]=4 228 B7R1.1 BrCC1=NOC=C1 2020AJ [0,0,0,0,1,0|3,0,0]=4 229 B7R1.1 C=CN1C=NC=N1 0150AQ [0,0,0,0,1,0|2,0,1]=4 230 B7R1.1 CCC1=CC=NO1 3273AB [0,0,0,0,1,0|2,0,0]=3 231 B7R1.1 CCC1=CNC=N1 6226AL [0,0,0,0,1,0|1,0,1]=3 232 B7R1.1 CCC1=NNC=C1 6654AA [0,0,0,0,1,0|2,0,0]=3 233 B7R1.1 COC1=CC=CO1 2109AL [0,0,0,0,1,0|1,0,0]=2 234 B7R1.1 COC1=NCCN1 2725AB [0,0,0,0,1,0|0,0,3]=4 235 B7R1.1 CSC1=CNC=N1 X6327 [0,0,0,0,1,0|0,1,1]=3 236 B7R1.1 CSC1=NC=CN1 5294AJ [0,0,0,0,1,0|0,1,1]=3 237 B7R1.1 CSC1=NC=CO1 6777AD [0,0,0,0,1,0|1,1,0]=3 238 B7R1.1 ClCC1=CC=NO1 8534AB [0,0,0,0,1,0|3,0,0]=4 239 B7R1.1 ClCC1=COC=N1 0393AC [0,0,0,0,1,0|3,0,0]=4 240 B7R1.1 ClCC1=NC=CN1 1125AC [0,0,0,0,1,0|2,0,1]=4 241 B7R1.1 ClCC1=NC=CS1 1126AC [0,0,0,0,1,0|3,0,0]=4 242 B7R1.1 ClCC1=NC=CS1 W5535 [0,0,0,0,1,0|3,0,0]=4 243 B7R1.1 N#CC1=CN=CO1 X3473 [0,0,0,0,1,0|3,0,0]=4 244 B7R1.1 N#CC1=COC=C1 0818AQ [0,0,0,0,1,0|3,0,0]=4 245 B7R1.1 N#CC1=COC=N1 Y5469 [0,0,0,0,1,0|3,0,0]=4 246 B7R1.1 N#CC1=NSC=C1 7174AA [0,0,0,0,1,0|3,0,0]=4 247 B7R1.1 NCC1=CC=CN1 W7617 [0,0,0,0,1,0|2,0,1]=4 248 B7R1.1 NCC1=CC=NO1 6076AB [0,0,0,0,1,0|3,0,0]=4 249 B7R1.1 NCC1=CN=CS1 7784AH [0,0,0,0,1,0|3,0,0]=4 250 B7R1.1 NCC1=CNC=C1 4647AC [0,0,0,0,1,0|2,0,1]=4 251 B7R1.1 NCC1=CNC=N1 1263AC [0,0,0,0,1,0|2,0,1]=4 252 B7R1.1 NCC1=CNC=N1 W7724 [0,0,0,0,1,0|2,0,1]=4 253 B7R1.1 NCC1=COC=C1 Y9148 [0,0,0,0,1,0|3,0,0]=4 254 B7R1.1 NCC1=COC=N1 Y1477 [0,0,0,0,1,0|3,0,0]=4 255 B7R1.1 NCC1=CON=C1 8978AA [0,0,0,0,1,0|3,0,0]=4 256 B7R1.1 NCC1=CSC=C1 Z3907 [0,0,0,0,1,0|3,0,0]=4 257 B7R1.1 NCC1=CSC=N1 0159AD [0,0,0,0,1,0|3,0,0]=4 258 B7R1.1 NCC1=CSC=N1 8187AA [0,0,0,0,1,0|3,0,0]=4 259 B7R1.1 NCC1=NC=CO1 0960AA [0,0,0,0,1,0|3,0,0]=4 260 B7R1.1 NCC1=NC=NN1 8323AH [0,0,0,0,1,0|3,0,0]=4 261 B7R1.1 NCC1=NOC=C1 3959AJ [0,0,0,0,1,0|3,0,0]=4 262 B7R1.1 NCC1=NOC=N1 1799AE [0,0,0,0,1,0|3,0,0]=4 263 B7R1.1 NNC1=NC=CS1 3138AB [0,0,0,0,1,0|3,0,0]=4 264 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,0,0,0,1,0|3,0,0]=4 265 B7R1.1 O=CC1=CC=NS1 7399AB [0,0,0,0,1,0|3,0,0]=4 266 B7R1.1 O=CC1=CN=CO1 X9341 [0,0,0,0,1,0|3,0,0]=4 267 B7R1.1 O=CC1=CON=C1 0015AC [0,0,0,0,1,0|3,0,0]=4 268 B7R1.1 O=CC1=CSN=C1 4169AJ [0,0,0,0,1,0|3,0,0]=4 269 B7R1.1 O=CC1=NC=CO1 7478AE [0,0,0,0,1,0|3,0,0]=4 270 B7R1.1 O=CC1=NNC=N1 9849AH [0,0,0,0,1,0|3,0,0]=4 271 B7R1.1 O=CC1=NOC=C1 4723AC [0,0,0,0,1,0|3,0,0]=4 272 B7R1.1 OCC1=CNC=N1 W5446 [0,0,0,0,1,0|2,0,1]=4 273 B7R1.1 OCC1=CON=C1 2836AJ [0,0,0,0,1,0|3,0,0]=4 274 B7R1.1 OCC1=NNC=C1 X6393 [0,0,0,0,1,0|3,0,0]=4 275 B7R1.1 OCN1C=CN=C1 9540AF [0,0,0,0,1,0|3,0,0]=4 276 B6R0.1 CC(\C=N\O)=N/O P687 [1,0,1,0,0,0|2,0,0]=4 277 B6R0.1 COC(=O)\C=C\N 1217AQ [1,0,1,0,0,0|1,0,1]=4 278 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,0,1,0,0,0|2,0,0]=4 279 B6R1.1 C1=CC=NC=C1 9032AJ [2,0,0,0,0,0|1,0,0]=3 280 B6R1.1 C1=CC=NC=C1 I569 [2,0,0,0,0,0|1,0,0]=3 281 B6R1.1 C1=NN=CN=N1 3034AH [2,0,0,0,0,0|2,0,0]=4 282 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [1,1,0,0,0,0|0,0,0]=2 283 B8R1.3 CC1=CN=C(C)N=C1 1431AB [1,1,0,0,0,0|2,0,0]=4 284 B8R1.3 CC1=CNC(=S)N=C1 Z2992 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.3 CC1=NN=C(C)C=C1 X3917 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.3 NC1=CN=C(N)C=C1 X9372 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.3 NC1=NC=C(O)C=C1 V8126 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.3 NC1=NC=C(O)C=C1 X4178 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.4 CC1=CC(=O)NN=C1 X7047 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.4 CC1=CC(Cl)=NN=C1 W9219 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.4 CC1=CC(I)=NC=C1 1274AB [1,1,0,0,0,0|2,0,0]=4 292 B8R1.4 CC1=CC(N)=CC=C1 5136AF [1,1,0,0,0,0|2,0,0]=4 293 B8R1.4 CC1=CC(N)=NN=C1 7108AA [1,1,0,0,0,0|2,0,0]=4 294 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [1,1,0,0,0,0|1,0,0]=3 295 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [1,1,0,0,0,0|1,0,0]=3 296 B8R1.4 CC1=CN=NC(=O)C1 5887AH [1,1,0,0,0,0|2,0,0]=4 297 B8R1.4 ClC1=CC(I)=CN=C1 2091AC [1,1,0,0,0,0|2,0,0]=4 298 B8R1.4 ClC1=CC(I)=NC=C1 1450AB [1,1,0,0,0,0|2,0,0]=4 299 B8R1.4 IC1=CN=CC(I)=C1 7672AB [1,1,0,0,0,0|2,0,0]=4 300 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [1,1,0,0,0,0|2,0,0]=4 301 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.4 NC1=CC(I)=CN=C1 8472AD [1,1,0,0,0,0|2,0,0]=4 303 B8R1.4 NC1=CC=CC(N)=N1 7294AA [1,1,0,0,0,0|2,0,0]=4 304 B8R1.4 NC1=CC=CC(O)=C1 7262AB [1,1,0,0,0,0|2,0,0]=4 305 B8R1.4 NC1=CN=CC(F)=N1 3111AD [1,1,0,0,0,0|1,0,0]=3 306 B8R1.4 NC1=CN=CC(N)=N1 W6186 [1,1,0,0,0,0|1,0,0]=3 307 B8R1.4 NC1=NC(=O)NN=C1 3530AF [1,1,0,0,0,0|1,0,1]=4 308 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [1,1,0,0,0,0|2,0,0]=4 309 B8R1.4 OC1=CN=CC(I)=C1 7258AD [1,1,0,0,0,0|1,0,0]=3 310 B8R1.4 OC1=NC=CC(S)=N1 Z2909 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.5 CC1=C(Cl)N=CN=C1 W6679 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.5 CC1=C(I)C=NC=N1 W9510 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.5 CC1=C(N)N=CC=C1 3663AB [1,1,0,0,0,0|1,0,0]=3 315 B8R1.5 CC1=CC=CC=C1O Z3651 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.5 CC1=CC=NN=C1Cl V2362 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.5 CC1=CC=NN=C1N V8933 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.5 CC1=CN=CN=C1Cl 2777AJ [1,1,0,0,0,0|2,0,0]=4 319 B8R1.5 CC1=NC=CC=C1I 7575AA [1,1,0,0,0,0|1,0,0]=3 320 B8R1.5 CC1=NC=NC=C1N B201 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.5 CC1=NN=CN=C1O 5164AD [1,1,0,0,0,0|1,0,0]=3 322 B8R1.5 ClC1=C(Cl)C=NC=C1 5074AD [1,1,0,0,0,0|2,0,0]=4 323 B8R1.5 ClC1=CC=CN=C1I W8392 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.5 FC1=C(F)C=NC=C1 2808AC [1,1,0,0,0,0|2,0,0]=4 325 B8R1.5 FC1=NC=CN=C1F 4974AE [1,1,0,0,0,0|1,0,0]=3 326 B8R1.5 IC1=C(I)N=CC=C1 0321AF [1,1,0,0,0,0|2,0,0]=4 327 B8R1.5 NC1=CC=CN=C1Br 1627AJ [1,1,0,0,0,0|2,0,0]=4 328 B8R1.5 NC1=CC=CN=C1F 1722AJ [1,1,0,0,0,0|2,0,0]=4 329 B8R1.5 NC1=CN=CN=C1O 5791AH [1,1,0,0,0,0|2,0,0]=4 330 B8R1.5 NC1=NC=NC=C1O 7434AB [1,1,0,0,0,0|2,0,0]=4 331 B8R1.5 O=C1OC=CC=C1O W6519 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.5 OC1=C(Cl)C=NN=C1 Y3271 [1,1,0,0,0,0|2,0,0]=4 333 B8R1.5 OC1=C(O)C=NC=C1 Y6808 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.5 OC1=NC=CN=C1O Y4736 [1,1,0,0,0,0|0,0,0]=2 335 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,1,0,0,1,0|2,0,0]=4 336 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,1,0,0,1,0|2,0,0]=4 337 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,1,0,0,1,0|2,0,0]=4 339 B8R1.1 CCC1=NC(Br)=NN1 4964AD [0,1,0,0,1,0|2,0,0]=4 340 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,0,1,0|2,0,0]=4 341 B8R1.1 CCC1=NOC(N)=C1 2151AC [0,1,0,0,1,0|2,0,0]=4 342 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,1,0,0,1,0|2,0,0]=4 343 B8R1.1 CCN1C=NC(Br)=C1 1287AF [0,1,0,0,1,0|2,0,0]=4 344 B8R1.1 CCN1C=NC(N)=N1 3203AE [0,1,0,0,1,0|2,0,0]=4 345 B8R1.1 CNC1=NOC(C)=C1 4341AJ [0,1,0,0,1,0|2,0,0]=4 346 B8R1.1 COC1=CC(=O)CC1 6398AB [0,1,0,0,1,0|1,0,1]=4 347 B8R1.1 COC1=CC(N)=NN1 2004AA [0,1,0,0,1,0|1,0,0]=3 348 B8R1.1 COC1=CC(N)=NN1 5689AB [0,1,0,0,1,0|1,0,0]=3 349 B8R1.1 COC1=CC(N)=NO1 R093 [0,1,0,0,1,0|1,0,0]=3 350 B8R1.1 COC1=NN=C(N)S1 5417AD [0,1,0,0,1,0|2,0,0]=4 351 B8R1.1 CSC1=CC(Br)=CS1 Z0932 [0,1,0,0,1,0|1,1,0]=4 352 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,1,0,0,1,0|1,1,0]=4 353 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,1,0,0,1,0|1,1,0]=4 354 B8R1.1 CSC1=NNC(Cl)=N1 4602AE [0,1,0,0,1,0|1,1,0]=4 355 B8R1.7 C=C(C)C1=NC=CS1 5670AL [0,1,0,0,1,0|2,0,0]=4 356 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,1,0,0,1,0|2,0,0]=4 357 B8R1.7 CC(=O)C1=NC=NN1 4769AD [0,1,0,0,1,0|2,0,0]=4 358 B8R1.7 CC(C)N1C=NC=N1 9796AB [0,1,0,0,1,0|2,0,0]=4 359 B8R1.7 CC(N)C1=CC=CO1 7556AD [0,1,0,0,1,0|2,0,0]=4 360 B8R1.7 CC(N)C1=COC=C1 2007AB [0,1,0,0,1,0|2,0,0]=4 361 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,1,0,0,1,0|2,0,0]=4 362 B8R1.7 CC(N)C1=CSC=N1 4743AH [0,1,0,0,1,0|2,0,0]=4 363 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,1,0,0,1,0|1,0,1]=4 364 B8R1.7 CC(O)C1=CNC=N1 1361AL [0,1,0,0,1,0|1,0,1]=4 365 B8R1.7 CC(O)C1=COC=C1 3660AD [0,1,0,0,1,0|2,0,0]=4 366 B8R1.8 BrCCC1=CC=CS1 Z5496 [0,1,0,0,1,0|2,0,0]=4 367 B8R1.8 BrCCC1=CSC=C1 W7060 [0,1,0,0,1,0|2,0,0]=4 368 B8R1.8 CCCC1=CC=CO1 Z5525 [0,1,0,0,1,0|2,0,0]=4 369 B8R1.8 CCCC1=CSC=C1 Z5466 [0,1,0,0,1,0|2,0,0]=4 370 B8R1.8 CCNC1=CC=CS1 W4294 [0,1,0,0,1,0|2,0,0]=4 371 B8R1.8 CCNC1=NC=CS1 4125AJ [0,1,0,0,1,0|2,0,0]=4 372 B8R1.8 CNCC1=CC=NN1 0420AC [0,1,0,0,1,0|2,0,0]=4 373 B8R1.8 CNCC1=CC=NO1 4172AJ [0,1,0,0,1,0|2,0,0]=4 374 B8R1.8 CNCC1=COC=C1 7832AD [0,1,0,0,1,0|2,0,0]=4 375 B8R1.8 CNCC1=CSC=N1 3622AA [0,1,0,0,1,0|2,0,0]=4 376 B8R1.8 CNCC1=NC=CN1 4097AE [0,1,0,0,1,0|1,0,1]=4 377 B8R1.8 CNCC1=NC=CS1 4356AD [0,1,0,0,1,0|2,0,0]=4 378 B8R1.8 CNCC1=NOC=C1 4335AJ [0,1,0,0,1,0|2,0,0]=4 379 B8R1.8 CNCC1=NOC=C1 7285AH [0,1,0,0,1,0|2,0,0]=4 380 B8R1.8 COCN1C=CN=C1 X6041 [0,1,0,0,1,0|1,0,0]=3 381 B8R1.8 ClCCC1=CNC=N1 X4176 [0,1,0,0,1,0|1,0,1]=4 382 B8R1.8 ClCCC1=CNN=C1 9537AF [0,1,0,0,1,0|2,0,0]=4 383 B8R1.8 NCCC1=CC=CN1 1070AJ [0,1,0,0,1,0|1,0,1]=4 384 B8R1.8 NCCC1=CC=CN1 5556AB [0,1,0,0,1,0|1,0,1]=4 385 B8R1.8 NCCC1=CON=C1 5076AH [0,1,0,0,1,0|2,0,0]=4 386 B8R1.8 NCCC1=CSC=N1 2066AC [0,1,0,0,1,0|2,0,0]=4 387 B8R1.8 NCCC1=NC=CN1 9985AA [0,1,0,0,1,0|1,0,1]=4 388 B8R1.8 NCCC1=NC=CS1 5806AE [0,1,0,0,1,0|2,0,0]=4 389 B8R1.8 NCCC1=NC=CS1 Y1661 [0,1,0,0,1,0|2,0,0]=4 390 B8R1.8 NCCC1=NC=NN1 1050AJ [0,1,0,0,1,0|2,0,0]=4 391 B8R1.8 NCCC1=NC=NN1 9546AE [0,1,0,0,1,0|2,0,0]=4 392 B8R1.8 NCCC1=NNC=C1 4102AD [0,1,0,0,1,0|2,0,0]=4 393 B8R1.8 NCCN1C=CN=C1 4503AH [0,1,0,0,1,0|2,0,0]=4 394 B8R1.8 NCCN1C=CN=C1 8445AB [0,1,0,0,1,0|2,0,0]=4 395 B8R1.8 NCCN1C=NC=N1 7160AB [0,1,0,0,1,0|2,0,0]=4 396 B8R1.8 NCCN1C=NC=N1 Y5405 [0,1,0,0,1,0|2,0,0]=4 397 B8R1.8 OCCC1=CSC=C1 J11110 [0,1,0,0,1,0|2,0,0]=4 398 B8R1.8 OCCC1=NNC=C1 1008AJ [0,1,0,0,1,0|2,0,0]=4 399 B8R1.11 CCC1=NNC=C1I 2420AL [0,1,0,0,1,0|2,0,0]=4 400 B8R1.11 CCN1N=CC=C1Br 5279AA [0,1,0,0,1,0|2,0,0]=4 401 B8R1.11 CCN1N=CC=C1I V2890 [0,1,0,0,1,0|2,0,0]=4 402 B8R1.11 CCN1N=CN=C1Br 7401AE [0,1,0,0,1,0|2,0,0]=4 403 B8R1.11 CNC1=NC=CN1C 1684AA [0,1,0,0,1,0|1,0,1]=4 404 B8R1.11 COC1=NON=C1N 9711AE [0,1,0,0,1,0|1,0,0]=3 405 B8R1.11 CSC1=C(Br)C=CS1 Z0767 [0,1,0,0,1,0|1,1,0]=4 406 B10R1.19 COC1=CC=CC=CC1=O Y6131 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.1 CCNC1=NC=C(Br)C=C1 W8816 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.1 CCOC1=CN=C(Cl)C=C1 Z5197 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.1 CCOC1=CN=C(Cl)N=C1 2711AC [0,2,0,0,0,0|2,0,0]=4 410 B10R1.1 CCOC1=CN=C(N)C=C1 W9273 [0,2,0,0,0,0|1,0,0]=3 411 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [0,2,0,0,0,0|1,0,0]=3 412 B10R1.1 CNCC1=CC=C(Cl)N=C1 9680AL [0,2,0,0,0,0|2,0,0]=4 413 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [0,2,0,0,0,0|2,0,0]=4 414 B10R1.1 NCCC1=CC=C(Br)C=N1 1783AL [0,2,0,0,0,0|2,0,0]=4 415 B10R1.3 C#CC1=CC=C(OC)N=C1 0197AC [0,2,0,0,0,0|1,0,0]=3 416 B10R1.3 CCC1=CN=C(CN)C=C1 8048AB [0,2,0,0,0,0|2,0,0]=4 417 B10R1.3 CNC1=NC=C(C=O)C=C1 8681AE [0,2,0,0,0,0|2,0,0]=4 418 B10R1.3 COC1=CC=C(CN)C=N1 V4770 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.3 COC1=CN=C(C#N)N=C1 2939AL [0,2,0,0,0,0|2,0,0]=4 420 B10R1.3 COC1=CN=C(CCl)C=C1 2740AC [0,2,0,0,0,0|1,0,0]=3 421 B10R1.3 COC1=NC=C(C#N)C=N1 V5634 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.3 COC1=NC=C(CBr)C=C1 Y7368 [0,2,0,0,0,0|1,0,0]=3 423 B10R1.3 COC1=NC=C(CCl)C=C1 3509AA [0,2,0,0,0,0|1,0,0]=3 424 B10R1.3 COC1=NC=C(CN)C=N1 6170AC [0,2,0,0,0,0|2,0,0]=4 425 B10R1.3 CSC1=NC=C(C=O)C=C1 Z0204 [0,2,0,0,0,0|1,1,0]=4 426 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 7787AC [0,2,0,0,0,0|2,0,0]=4 427 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,2,0,0,0,0|2,0,0]=4 429 B10R1.13 CC(=O)C1=NC=C(C)N=C1 9503AH [0,2,0,0,0,0|1,0,0]=3 430 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [0,2,0,0,0,0|2,0,0]=4 431 B10R1.13 CC(N)C1=NC=C(Br)C=C1 3774AC [0,2,0,0,0,0|2,0,0]=4 432 B10R1.13 CC(N)C1=NC=C(F)C=C1 5402AC [0,2,0,0,0,0|2,0,0]=4 433 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [0,2,0,0,0,0|2,0,0]=4 434 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [0,2,0,0,0,0|2,0,0]=4 435 B10R1.13 CC1=CN=C(C(=N)N)C=N1 1246AC [0,2,0,0,0,0|2,0,0]=4 436 B10R1.13 CC1=CN=C(C(=N)N)C=N1 2786AA [0,2,0,0,0,0|2,0,0]=4 437 B10R1.13 CN(C)C1=NC=C(N)C=C1 Z8075 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.13 NC(=O)C1=CN=C(N)C=N1 4750AC [0,2,0,0,0,0|2,0,0]=4 439 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 X9187 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.25 CC1=NC(Cl)=C(C#N)N=C1 9508AA [0,2,0,0,0,0|2,0,0]=4 441 B10R1.25 CCC1=C(N)C=C(C)N=C1 7618AB [0,2,0,0,0,0|2,0,0]=4 442 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.25 CCC1=CN=C(C)C=C1Br 6901AC [0,2,0,0,0,0|2,0,0]=4 444 B10R1.25 CNC1=C(Cl)C=C(N)C=N1 2678AD [0,2,0,0,0,0|2,0,0]=4 445 B10R1.25 CNC1=NC=C(Br)C=C1N V8817 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.25 COC1=C(Br)N=C(N)C=C1 Y4109 [0,2,0,0,0,0|1,0,0]=3 447 B10R1.25 COC1=C(C)N=C(C)N=C1 6536AA [0,2,0,0,0,0|2,0,0]=4 448 B10R1.25 COC1=C(Cl)C=C(Br)N=C1 4837AA [0,2,0,0,0,0|1,0,0]=3 449 B10R1.25 COC1=C(F)N=C(Br)C=C1 Z0881 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.25 COC1=CC=C(Cl)N=C1Cl Y3831 [0,2,0,0,0,0|1,0,0]=3 451 B10R1.25 COC1=CC=C(F)N=C1C Y3903 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.25 COC1=CC=C(N)C=C1C 0301AD [0,2,0,0,0,0|2,0,0]=4 453 B10R1.25 COC1=CC=C(N)C=C1Cl 5846AJ [0,2,0,0,0,0|2,0,0]=4 454 B10R1.25 COC1=CC=C(N)C=C1N 5296AL [0,2,0,0,0,0|2,0,0]=4 455 B10R1.25 COC1=CC=C(N)N=C1Cl 4511AC [0,2,0,0,0,0|1,0,0]=3 456 B10R1.25 COC1=CC=C(O)C=C1C Z0198 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.25 COC1=CC=C(S)C=C1F 5336AH [0,2,0,0,0,0|2,0,0]=4 458 B10R1.25 COC1=CN=C(Br)C=C1O 6191AA [0,2,0,0,0,0|1,0,0]=3 459 B10R1.25 COC1=CN=C(Cl)C=C1Br Z6486 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.25 COC1=CN=C(N)N=C1Cl W6429 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.25 COC1=NC=C(Br)C=C1O 3121AJ [0,2,0,0,0,0|1,0,0]=3 462 B10R1.25 COC1=NC=C(C)C=C1I Z8220 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.25 COC1=NC=C(C)C=C1O Z8657 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.25 COC1=NC=C(Cl)C=C1Cl 6237AA [0,2,0,0,0,0|1,0,0]=3 465 B10R1.25 COC1=NC=C(F)C=C1F 9839AC [0,2,0,0,0,0|1,0,0]=3 466 B10R1.25 COC1=NC=C(O)C=C1C Y3854 [0,2,0,0,0,0|1,0,0]=3 467 B10R1.25 COC1=NN=C(Cl)C=C1C X3927 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.25 COC1=NN=C(Cl)C=C1N V3262 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.25 CSC1=NC=C(Br)C=C1Br Z0015 [0,2,0,0,0,0|1,1,0]=4 470 B10R1.25 CSC1=NC=C(Br)C=C1C Z0037 [0,2,0,0,0,0|1,1,0]=4 471 B10R1.25 N#CC1=NC=C(Cl)N=C1N Y9426 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.25 NC1=NC(Cl)=CN=C1C=O 4744AC [0,2,0,0,0,0|2,0,0]=4 473 B10R1.176 CCC1=CN=C(C)C(Br)=C1 5301AH [0,2,0,0,0,0|2,0,0]=4 474 B10R1.176 CNC1=NC=C(Br)C(C)=C1 V3524 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.176 COC1=CC(Br)=C(F)C=N1 4132AC [0,2,0,0,0,0|1,0,0]=3 476 B10R1.176 COC1=CC=C(Cl)C(C)=N1 Z8658 [0,2,0,0,0,0|1,0,0]=3 477 B10R1.176 COC1=CC=C(I)C(N)=C1 W3349 [0,2,0,0,0,0|2,0,0]=4 478 B10R1.176 COC1=CC=C(I)C(O)=C1 5618AB [0,2,0,0,0,0|2,0,0]=4 479 B10R1.176 COC1=CN=C(Br)C(N)=C1 X8710 [0,2,0,0,0,0|1,0,0]=3 480 B10R1.176 COC1=CN=C(C)C(Br)=C1 X3672 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.176 COC1=CN=C(Cl)C(Br)=C1 Z6642 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.176 COC1=CN=C(Cl)C(N)=C1 Y3226 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.176 COC1=C[N+]([O-])=C(Br)C=C1 Z9506 [0,2,0,0,0,0|1,0,1]=4 484 B10R1.176 COC1=NC(C)=C(F)C=C1 N171 [0,2,0,0,0,0|1,0,0]=3 485 B10R1.176 COC1=NC=C(Cl)C(I)=C1 9719AL [0,2,0,0,0,0|1,0,0]=3 486 B10R1.176 COC1=NC=C(Cl)C(O)=C1 Y3794 [0,2,0,0,0,0|1,0,0]=3 487 B10R1.176 COC1=NC=C(F)C(N)=C1 8645AB [0,2,0,0,0,0|1,0,0]=3 488 B10R1.176 CSC1=NC(C)=C(Br)C=C1 Z0023 [0,2,0,0,0,0|1,1,0]=4 489 B10R1.2 COC1=C(Cl)C(N)=CC=C1 X4447 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.2 COC1=C(Cl)C(O)=CC=C1 W8095 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.2 COC1=C(I)C(N)=CC=N1 3211AA [0,2,0,0,0,0|1,0,0]=3 492 B10R1.2 COC1=C(I)C(O)=CC=C1 4161AA [0,2,0,0,0,0|2,0,0]=4 493 B10R1.2 COC1=C(N)C(N)=CC=C1 5908AJ [0,2,0,0,0,0|2,0,0]=4 494 B10R1.2 COC1=C(O)C(I)=CC=C1 2096AA [0,2,0,0,0,0|2,0,0]=4 495 B10R1.2 COC1=C(O)C(N)=CC=C1 Z4718 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.2 COC1=CC=CC(I)=C1N X7356 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.2 COC1=CC=CC(N)=C1N 4785AB [0,2,0,0,0,0|2,0,0]=4 498 B10R1.2 COC1=CN=CC(N)=C1C 3008AA [0,2,0,0,0,0|1,0,0]=3 499 B10R1.2 COC1=CN=CC(N)=C1Cl Z7314 [0,2,0,0,0,0|1,0,0]=3 500 B10R1.2 COC1=CN=CC(N)=C1I 8003AC [0,2,0,0,0,0|1,0,0]=3 501 B10R1.2 COC1=CN=NC(Cl)=C1Cl 2074AJ [0,2,0,0,0,0|2,0,0]=4 502 B10R1.2 COC1=NC=CC(Br)=C1C 2150AA [0,2,0,0,0,0|1,0,0]=3 503 B10R1.2 COC1=NC=CC(C)=C1N 9447AA [0,2,0,0,0,0|1,0,0]=3 504 B10R1.8 COC1=CC(Br)=C[N+]([O-])=C1 2239AC [0,2,0,0,0,0|1,0,1]=4 505 B10R1.8 COC1=CC(I)=CC(O)=C1 3291AC [0,2,0,0,0,0|2,0,0]=4 506 B10R1.8 COC1=NC(=O)C=C(C)N1 8181AB [0,2,0,0,0,0|2,0,0]=4 507 B10R1.8 COC1=NC(C)=CC(Cl)=N1 Z2846 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.8 COC1=NC(O)=CC(O)=N1 W3853 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.10 CC#CC1=CN=CC(Br)=C1 5484AC [0,2,0,0,0,0|2,0,0]=4 510 B10R1.10 CC1=CC=CC(CCO)=N1 Y4754 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.10 CCCC1=CC(O)=CC=N1 2583AA [0,2,0,0,0,0|2,0,0]=4 512 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [0,2,0,0,0,0|2,0,0]=4 513 B10R1.10 CCNC1=CN=CC(Cl)=N1 V9758 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.10 CCOC1=CC(=O)C=CN1 0560AA [0,2,0,0,0,0|1,0,1]=4 515 B10R1.10 CCOC1=CC(S)=CC=C1 L529 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.10 CCOC1=CC=CC(N)=N1 Y4042 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.10 CCOC1=NC(Cl)=NC=C1 Z2534 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.10 CCOC1=NC=CC(=O)N1 Z2552 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.10 CCOC1=NC=CC(Cl)=C1 W8817 [0,2,0,0,0,0|1,0,0]=3 520 B10R1.10 CNCC1=NC=CC(C)=C1 8285AC [0,2,0,0,0,0|2,0,0]=4 521 B10R1.10 COCC1=CN=CC(Br)=C1 Z0267 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.10 NCCC1=CC=CC(Br)=N1 5436AB [0,2,0,0,0,0|2,0,0]=4 523 B10R1.10 NCCC1=NC(Br)=CC=C1 5025AA [0,2,0,0,0,0|2,0,0]=4 524 B10R1.30 CC1=CN=C(C)C(C#N)=N1 1801AB [0,2,0,0,0,0|2,0,0]=4 525 B10R1.30 CC1=CN=C(N)C(C#N)=N1 9376AA [0,2,0,0,0,0|2,0,0]=4 526 B10R1.30 CNC1=NC(Cl)=CC=C1N 4858AC [0,2,0,0,0,0|2,0,0]=4 527 B10R1.30 COC1=C(Br)C=CC(Br)=N1 Y2450 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.30 COC1=C(Br)N=CC(N)=C1 Y3279 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.30 COC1=CC(Br)=CN=C1Br Z7504 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.30 COC1=CC(Br)=CN=C1C 2479AA [0,2,0,0,0,0|1,0,0]=3 531 B10R1.30 COC1=CC(Br)=CN=C1I V9442 [0,2,0,0,0,0|1,0,0]=3 532 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.30 COC1=CC(C)=CN=C1Cl Z8217 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.30 COC1=CC(Cl)=CC=C1Cl X8187 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.30 COC1=CC(Cl)=CN=C1Cl 1163AD [0,2,0,0,0,0|1,0,0]=3 536 B10R1.30 COC1=CC(Cl)=CN=C1N Z8751 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.30 COC1=CC(Cl)=NN=C1N X3925 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.30 COC1=CC(F)=CC=C1F F188 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.30 COC1=CC(I)=CC=C1N V5279 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.30 COC1=CC(N)=CC=C1I 2055AA [0,2,0,0,0,0|2,0,0]=4 541 B10R1.30 COC1=NC(Br)=CN=C1Br Y5449 [0,2,0,0,0,0|0,0,0]=2 542 B10R1.30 COC1=NC(Br)=CN=C1O Y5646 [0,2,0,0,0,0|0,0,0]=2 543 B10R1.30 COC1=NC(Cl)=CN=C1N W8970 [0,2,0,0,0,0|0,0,0]=2 544 B10R1.30 COC1=NC(N)=NC=C1I W9223 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.30 N#CC1=NC(Br)=CN=C1Cl 4853AA [0,2,0,0,0,0|2,0,0]=4 546 B10R1.30 N#CC1=NC(F)=CN=C1F 4463AB [0,2,0,0,0,0|2,0,0]=4 547 B10R1.30 NC1=NC=C(Cl)N=C1C=O Z5290 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 W6093 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,2,0,0,0,0|2,0,0]=4 550 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [0,2,0,0,0,0|2,0,0]=4 551 B10R1.113 CC(C)C1=CC=CC(N)=N1 W8437 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 6890AC [0,2,0,0,0,0|2,0,0]=4 553 B10R1.113 CC1=CC(C(C)N)=NC=C1 5999AE [0,2,0,0,0,0|2,0,0]=4 554 B10R1.113 CC1=CC(N(C)C)=NC=C1 0347AB [0,2,0,0,0,0|2,0,0]=4 555 B10R1.113 CC1=NC(C(C)N)=CC=C1 9513AH [0,2,0,0,0,0|2,0,0]=4 556 B10R1.113 CN(C)C1=CN=CC(I)=N1 3139AD [0,2,0,0,0,0|1,0,0]=3 557 B10R1.172 CCC1=CC=CC(CO)=N1 Z4253 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.172 CNC1=CC(OC)=CN=C1 8852AH [0,2,0,0,0,0|1,0,0]=3 559 B10R1.172 CNC1=NC=CC(OC)=N1 V7168 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.172 COC1=CC=NC(CCl)=N1 3803AC [0,2,0,0,0,0|2,0,0]=4 561 B10R1.172 COC1=CC=NC(NN)=N1 2244AF [0,2,0,0,0,0|2,0,0]=4 562 B10R1.172 COC1=CN=CC(C#N)=N1 Y5274 [0,2,0,0,0,0|0,0,0]=2 563 B10R1.172 COC1=CN=CC(CO)=C1 Z1132 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.172 COC1=NC(CCl)=CC=C1 5471AB [0,2,0,0,0,0|1,0,0]=3 565 B10R1.172 COC1=NC=CC(CCl)=C1 0006AB [0,2,0,0,0,0|1,0,0]=3 566 B10R1.172 COC1=NC=CC(CCl)=C1 4431AB [0,2,0,0,0,0|1,0,0]=3 567 B10R1.172 COC1=NC=CC(CN)=N1 Y5675 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.172 COC1=NC=CC(SC)=C1 Z0163 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [0,2,0,0,0,0|1,0,0]=3 570 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [0,2,0,0,0,0|2,0,0]=4 571 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [0,2,0,0,0,0|2,0,0]=4 572 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,2,0,0,0,0|2,0,0]=4 573 B10R1.15 COC(=N)C1=NC=CN=C1 9109AE [0,2,0,0,0,0|0,0,0]=2 574 B10R1.15 COC(=O)C1=CC=NN=C1 W5569 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.15 COC(=O)C1=CN=CN=C1 4090AB [0,2,0,0,0,0|2,0,0]=4 576 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [0,2,0,0,0,0|2,0,0]=4 577 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [0,2,0,0,0,0|2,0,0]=4 579 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,2,0,0,0,0|2,0,0]=4 580 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [0,2,0,0,0,0|2,0,0]=4 581 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [0,2,0,0,0,0|2,0,0]=4 582 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [0,2,0,0,0,0|2,0,0]=4 583 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,2,0,0,0,0|2,0,0]=4 585 B10R1.15 O=C(CBr)C1=NC=CN=C1 Z2340 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.28 CC(C)(N)C1=CC=CC=N1 5199AJ [0,2,0,0,0,0|2,0,0]=4 587 B10R1.28 CC(F)(F)C1=CN=CC=C1 9489AC [0,2,0,0,0,0|2,0,0]=4 588 B10R1.28 CC(F)(F)C1=CN=CC=N1 8821AC [0,2,0,0,0,0|1,0,0]=3 589 B10R1.28 CC(F)(F)C1=NC=CC=C1 9488AC [0,2,0,0,0,0|2,0,0]=4 590 B10R1.28 C[Sn](C)(C)C1=CC=CC=N1 9304AL [0,2,0,0,0,0|2,0,0]=4 591 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,2,0,0,0,0|2,0,0]=4 592 B10R1.61 CC(=O)C1=CN=CC=C1C 7123AB [0,2,0,0,0,0|2,0,0]=4 593 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.61 CC(=O)C1=NC=CN=C1Cl 3776AA [0,2,0,0,0,0|1,0,0]=3 595 B10R1.61 CC(=O)C1=NC=CN=C1N 3777AA [0,2,0,0,0,0|1,0,0]=3 596 B10R1.61 CC(O)C1=CC=CN=C1F Z0851 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [0,2,0,0,0,0|2,0,0]=4 598 B10R1.61 CC(O)C1=NC=CC=C1F N325 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [0,2,0,0,0,0|2,0,0]=4 600 B10R1.61 CC1=NC=CN=C1S(C)=O 7966AJ [0,2,0,0,0,0|0,1,0]=3 601 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [0,2,0,0,0,0|2,0,0]=4 602 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [0,2,0,0,0,0|2,0,0]=4 603 B10R1.4 CCNC1=C(N)C=CC=N1 0189AE [0,2,0,0,0,0|2,0,0]=4 604 B10R1.4 CCOC1=C(Cl)C=CC=N1 9905AL [0,2,0,0,0,0|1,0,0]=3 605 B10R1.4 CCOC1=C(N)C=CN=C1 Z5305 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [0,2,0,0,0,0|1,0,0]=3 607 B10R1.4 CCOC1=CC=CC=C1N 8719AL [0,2,0,0,0,0|2,0,0]=4 608 B10R1.4 CCOC1=CC=CNC1=O 5869AJ [0,2,0,0,0,0|1,0,1]=4 609 B10R1.4 CCOC1=NC=CC=C1F 3378AC [0,2,0,0,0,0|1,0,0]=3 610 B10R1.4 CNCC1=C(C)C=CC=N1 1508AF [0,2,0,0,0,0|2,0,0]=4 611 B10R1.4 N#CCC1=NC=CN=C1Cl X0224 [0,2,0,0,0,0|1,0,1]=4 612 B10R1.17 C=CCNC1=CC=CN=C1 6927AD [0,2,0,0,0,0|2,0,0]=4 613 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [0,2,0,0,0,0|2,0,0]=4 616 B10R1.17 NCCCC1=CC=CC=N1 7820AA [0,2,0,0,0,0|2,0,0]=4 617 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.17 NCCNC1=CC=CN=C1 4424AJ [0,2,0,0,0,0|2,0,0]=4 619 B10R1.17 NCCSC1=CC=CC=N1 3135AE [0,2,0,0,0,0|1,1,0]=4 620 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [0,2,0,0,0,0|2,0,0]=4 621 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [0,2,0,0,0,0|2,0,0]=4 622 B10R1.17 OC\C=C\C1=NC=CC=C1 5626AJ [0,2,0,0,0,0|2,0,0]=4 623 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,2,0,0,0,0|2,0,0]=4 624 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [0,2,0,0,0,0|1,0,0]=3 625 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [0,2,0,0,0,0|1,0,0]=3 626 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [0,2,0,0,0,0|2,0,0]=4 627 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [0,2,0,0,0,0|1,0,0]=3 628 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [0,2,0,0,0,0|2,0,0]=4 629 B10R1.20 CNC1=NC=CC=C1OC 2444AL [0,2,0,0,0,0|1,0,0]=3 630 B10R1.20 COC1=C(CN)C=CC=N1 2549AA [0,2,0,0,0,0|1,0,0]=3 631 B10R1.20 COC1=C(NN)N=CN=C1 Y4993 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.20 COC1=CC=CN=C1CN 8861AB [0,2,0,0,0,0|1,0,0]=3 633 B10R1.20 COC1=CC=CN=C1CO 8653AH [0,2,0,0,0,0|1,0,0]=3 634 B10R1.20 COC1=CC=NC=C1OC 1881AA [0,2,0,0,0,0|1,0,0]=3 635 B10R1.20 ClCC1=NC=CN=C1CCl 7070AB [0,2,0,0,0,0|2,0,0]=4 636 B10R1.245 COC1=C(C)OC=CC1=O 6531AB [0,2,0,0,0,0|2,0,0]=4 637 B10R1.245 COC1=C(F)C=CC=C1O Z1209 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.245 COC1=C(O)C=CC=C1O V4096 [0,2,0,0,0,0|2,0,0]=4 639 B10R2.7 C1=CC2=C(C=N1)CCN2 1361AJ [0,1,0,1,0,0|2,0,0]=4 640 B10R2.7 C1=CC2=C(C=N1)CNC2 X5477 [0,1,0,1,0,0|2,0,0]=4 641 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [0,1,0,1,0,0|2,0,0]=4 642 B10R2.7 C1=CN=C2CNCC2=C1 V7126 [0,1,0,1,0,0|2,0,0]=4 643 B10R2.7 C1=CN=C2CNCC2=C1 W3224 [0,1,0,1,0,0|2,0,0]=4 644 B10R2.7 C1=CN=C2CNCC2=N1 6417AJ [0,1,0,1,0,0|1,0,0]=3 645 B10R2.7 C1=CN=C2SC=CC2=N1 W6994 [0,1,0,1,0,0|0,1,1]=4 646 B6R1.2 BrC1=CC=NS1 7852AB [1,0,0,0,1,0|2,0,0]=4 647 B6R1.2 BrC1=NSC=C1 Z4879 [1,0,0,0,1,0|2,0,0]=4 648 B6R1.2 CC1=CNN=N1 W5081 [1,0,0,0,1,0|1,0,1]=4 649 B6R1.2 CC1=CON=C1 9884AB [1,0,0,0,1,0|1,0,0]=3 650 B6R1.2 CC1=CSN=N1 Y8051 [1,0,0,0,1,0|2,0,0]=4 651 B6R1.2 CC1=NC=CO1 1470AB [1,0,0,0,1,0|1,0,0]=3 652 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,0,1,0|1,0,0]=3 653 B6R1.2 CC1=NON=C1 W4957 [1,0,0,0,1,0|1,0,0]=3 654 B6R1.2 CN1C=NN=N1 X6249 [1,0,0,0,1,0|2,0,0]=4 655 B6R1.2 ClC1=NC=CS1 W5278 [1,0,0,0,1,0|2,0,0]=4 656 B6R1.2 ClC1=NC=NS1 W5914 [1,0,0,0,1,0|2,0,0]=4 657 B6R1.2 NC1=CN=CN1 0957AP [1,0,0,0,1,0|1,0,1]=4 658 B6R1.2 NC1=CN=CN1 5028AA [1,0,0,0,1,0|1,0,1]=4 659 B6R1.2 NC1=CNC=N1 B191 [1,0,0,0,1,0|1,0,1]=4 660 B6R1.2 NC1=CON=C1 X8883 [1,0,0,0,1,0|2,0,0]=4 661 B6R1.2 NC1=CSN=C1 2850AJ [1,0,0,0,1,0|2,0,0]=4 662 B6R1.2 NN1C=CC=N1 5269AB [1,0,0,0,1,0|2,0,0]=4 663 B6R1.2 OC1=NC=CS1 W8616 [1,0,0,0,1,0|1,0,0]=3