0 B6R1.1 C1=CC=NC=C1 13729 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.1 C1=CC=NC=C1 18634 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 C1=CC=NC=C1 2590 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.1 C1=CC=NC=C1 30334 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.1 C1=CC=NC=C1 35414 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.1 C1=CC=[NH+]C=C1 15908 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.1 C1=CC=[NH+]C=C1 15909 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.1 C1=CN=CC=N1 16607 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.1 C1=CN=CN=C1 13257 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.1 C1=CN=NC=C1 17789 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.1 C1=COCCC1 9508 [0,0,0,0,0,0|1,0,3]=4 11 B6R1.1 c1ccccc1 36262 [0,0,0,0,0,0|0,0,0]=0 12 B7R1.3 BrC1=CC=CN=C1 2571 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 BrC1=CC=NC=C1 15950 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 BrC1=CC=NC=C1 2589 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 BrC1=CN=CN=C1 6902 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.3 BrC1=NC=CC=C1 2570 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 BrC1=NC=CC=N1 6901 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.3 BrC1=NC=CN=C1 18036 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.3 CC1=CC=CN=N1 17696 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.3 CC1=CN=CN=C1 7207 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.3 CC1=NC=CC=C1 15899 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 CC1=NC=CC=N1 21974 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.3 CC1=NC=CN=C1 8601 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.3 CC1=NC=NC=C1 20803 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.3 Cc1ccccn1 18185 [0,1,0,0,0,0|1,0,0]=2 26 B7R1.3 ClC1=CC=CN=C1 2576 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.3 ClC1=CC=CN=N1 19779 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.3 ClC1=CC=NC=C1 1195 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 ClC1=CC=NC=C1 23503 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 ClC1=CN=CN=C1 7041 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.3 ClC1=NC=CC=C1 13200 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.3 ClC1=NC=CC=N1 7040 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.3 ClC1=NC=CN=C1 8546 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.3 ClC1=NC=NC=C1 15531 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.3 FC1=CC=CC=C1 29401 [0,1,0,0,0,0|0,0,0]=1 36 B7R1.3 FC1=CC=CN=C1 1095 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 FC1=CC=NC=C1 14322 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 FC1=CC=NC=C1 2616 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.3 FC1=CN=CN=C1 7193 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.3 FC1=NC=CC=C1 1094 [0,1,0,0,0,0|1,0,0]=2 41 B7R1.3 FC1=NC=CN=C1 13961 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.3 FC1=NC=NC=C1 13598 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.3 IC1=CC=CC=C1 2143 [0,1,0,0,0,0|0,0,0]=1 44 B7R1.3 IC1=CC=CC=C1 3921 [0,1,0,0,0,0|0,0,0]=1 45 B7R1.3 IC1=CC=CN=C1 6634 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.3 IC1=CC=NC=C1 2584 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.3 IC1=CN=CN=C1 25074 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.3 IC1=NC=CC=C1 4074 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 IC1=NC=CC=N1 23553 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.3 IC1=NC=NC=C1 33551 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.3 NC1=CC=CN=C1 2569 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.3 NC1=CC=CN=N1 16747 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.3 NC1=CC=CN=N1 9538 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.3 NC1=CC=NC=C1 1281 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.3 NC1=CN=CN=C1 25064 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.3 NC1=NC=CC=C1 10484 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.3 NC1=NC=CC=N1 4106 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.3 NC1=NC=CN=C1 8600 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.3 NC1=NC=NC=C1 21825 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.3 NC1=NC=NC=N1 14498 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.3 O=C1C=CC=NN1 9528 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.3 OC1=CC=CN=C1 2568 [0,1,0,0,0,0|1,0,0]=2 63 B7R1.3 OC1=CC=NC=C1 1116 [0,1,0,0,0,0|1,0,0]=2 64 B7R1.3 OC1=CN=CN=C1 20799 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.3 OC1=C[NH+]=CN=C1 23934 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.3 OC1=NC=CC=C1 2567 [0,1,0,0,0,0|1,0,0]=2 67 B7R1.3 OC1=NC=CC=N1 20310 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.3 OC1=NC=CC=N1 21046 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.3 OC1=NC=CN=C1 8869 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.3 OC1=NC=NC=C1 11012 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.3 OC1=NC=NC=C1 20805 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.3 PC1=CC=CC=C1 25514 [0,1,0,0,0,0|0,0,0]=1 73 B7R1.3 SC1=CC=CC=C1 5421 [0,1,0,0,0,0|0,0,0]=1 74 B7R1.3 SC1=CC=NC=C1 9746 [0,1,0,0,0,0|1,0,0]=2 75 B7R1.3 SC1=NC=CC=C1 10835 [0,1,0,0,0,0|1,0,0]=2 76 B7R1.3 SC1=NC=CC=C1 16329 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.3 SC1=NC=CC=N1 21982 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.3 [Li]C1=CC=CC=C1 26659 [0,1,0,0,0,0|0,0,0]=1 79 B7R1.3 [O-][N+]1=CC=CC=C1 2586 [0,1,0,0,0,0|1,0,0]=2 80 B7R1.3 [O-][N+]1=CN=CC=C1 13269 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.3 [S-]C1=CC=CC=C1 35336 [0,1,0,0,0,0|0,0,0]=1 82 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [0,1,0,0,0,0|0,0,0]=1 83 B5R1.1 C1=CCNC1 18771 [0,0,0,0,1,0|1,0,2]=4 84 B5R1.1 C1=CCNC1 29078 [0,0,0,0,1,0|1,0,2]=4 85 B5R1.1 C1=CCOC1 3987 [0,0,0,0,1,0|1,0,2]=4 86 B5R1.1 C1=CNC=C1 16729 [0,0,0,0,1,0|1,0,0]=2 87 B5R1.1 C1=CNC=N1 26201 [0,0,0,0,1,0|2,0,0]=3 88 B5R1.1 C1=CNN=C1 21409 [0,0,0,0,1,0|2,0,0]=3 89 B5R1.1 C1=COC=N1 8626 [0,0,0,0,1,0|2,0,0]=3 90 B5R1.1 C1=COCC1 12854 [0,0,0,0,1,0|1,0,2]=4 91 B5R1.1 C1=CON=C1 8623 [0,0,0,0,1,0|2,0,0]=3 92 B5R1.1 C1=CSC=C1 26881 [0,0,0,0,1,0|1,0,0]=2 93 B5R1.1 C1=CSN=C1 24709 [0,0,0,0,1,0|2,0,0]=3 94 B5R1.1 C1=C[CH-]C=C1 16015 [0,0,0,0,1,0|0,0,1]=2 95 B5R1.1 C1=C[CH-]C=C1 29400 [0,0,0,0,1,0|0,0,1]=2 96 B5R1.1 C1=C[CH-]C=C1 35636 [0,0,0,0,1,0|0,0,1]=2 97 B5R1.1 C1=NC=NN1 17626 [0,0,0,0,1,0|3,0,0]=4 98 B6R0.6 C\C=C\C=C\CO 13747 [0,1,1,0,0,0|0,0,2]=4 99 B6R1.2 BrC1=CC=CO1 6929 [0,1,0,0,1,0|1,0,0]=3 100 B6R1.2 BrC1=CC=CS1 5313 [0,1,0,0,1,0|1,0,0]=3 101 B6R1.2 BrC1=CC=NO1 14443 [0,1,0,0,1,0|2,0,0]=4 102 B6R1.2 BrC1=CC=NS1 12056 [0,1,0,0,1,0|2,0,0]=4 103 B6R1.2 BrC1=CN=CS1 2077 [0,1,0,0,1,0|2,0,0]=4 104 B6R1.2 BrC1=CNC=N1 9443 [0,1,0,0,1,0|2,0,0]=4 105 B6R1.2 BrC1=CNN=C1 11041 [0,1,0,0,1,0|2,0,0]=4 106 B6R1.2 BrC1=COC=C1 8830 [0,1,0,0,1,0|1,0,0]=3 107 B6R1.2 BrC1=CSC=C1 5306 [0,1,0,0,1,0|1,0,0]=3 108 B6R1.2 BrC1=CSC=N1 4040 [0,1,0,0,1,0|2,0,0]=4 109 B6R1.2 BrC1=CSN=C1 12057 [0,1,0,0,1,0|2,0,0]=4 110 B6R1.2 BrC1=NC=CN1 8987 [0,1,0,0,1,0|2,0,0]=4 111 B6R1.2 BrC1=NC=CS1 15748 [0,1,0,0,1,0|2,0,0]=4 112 B6R1.2 BrC1=NNC=C1 22992 [0,1,0,0,1,0|2,0,0]=4 113 B6R1.2 BrC1=NSC=C1 12058 [0,1,0,0,1,0|2,0,0]=4 114 B6R1.2 Br[C-]1C=CC=C1 36254 [0,1,0,0,1,0|0,0,1]=3 115 B6R1.2 CC1=CC=CO1 11230 [0,1,0,0,1,0|1,0,0]=3 116 B6R1.2 CC1=CC=CS1 5204 [0,1,0,0,1,0|1,0,0]=3 117 B6R1.2 CC1=CC=NN1 10442 [0,1,0,0,1,0|2,0,0]=4 118 B6R1.2 CC1=CC=NO1 8634 [0,1,0,0,1,0|2,0,0]=4 119 B6R1.2 CC1=CC=NS1 45145 [0,1,0,0,1,0|2,0,0]=4 120 B6R1.2 CC1=CNC=C1 13921 [0,1,0,0,1,0|1,0,0]=3 121 B6R1.2 CC1=CNC=N1 7153 [0,1,0,0,1,0|2,0,0]=4 122 B6R1.2 CC1=CNN=C1 13055 [0,1,0,0,1,0|2,0,0]=4 123 B6R1.2 CC1=COC=C1 19993 [0,1,0,0,1,0|1,0,0]=3 124 B6R1.2 CC1=COC=N1 23604 [0,1,0,0,1,0|2,0,0]=4 125 B6R1.2 CC1=CON=C1 24245 [0,1,0,0,1,0|2,0,0]=4 126 B6R1.2 CC1=CSC=C1 5565 [0,1,0,0,1,0|1,0,0]=3 127 B6R1.2 CC1=CSC=N1 23683 [0,1,0,0,1,0|2,0,0]=4 128 B6R1.2 CC1=NC=CN1 8049 [0,1,0,0,1,0|2,0,0]=4 129 B6R1.2 CC1=NC=CS1 15749 [0,1,0,0,1,0|2,0,0]=4 130 B6R1.2 CC1=NNC=C1 13253 [0,1,0,0,1,0|2,0,0]=4 131 B6R1.2 CN1C=CC=C1 10822 [0,1,0,0,1,0|1,0,0]=3 132 B6R1.2 CN1C=CC=N1 20862 [0,1,0,0,1,0|2,0,0]=4 133 B6R1.2 CN1C=CN=C1 15971 [0,1,0,0,1,0|2,0,0]=4 134 B6R1.2 ClC1=CC=CS1 7376 [0,1,0,0,1,0|1,0,0]=3 135 B6R1.2 ClC1=CNN=C1 14005 [0,1,0,0,1,0|2,0,0]=4 136 B6R1.2 ClC1=CSC=C1 5477 [0,1,0,0,1,0|1,0,0]=3 137 B6R1.2 ClC1=NC=CN1 7597 [0,1,0,0,1,0|2,0,0]=4 138 B6R1.2 ClC1=NC=CS1 15569 [0,1,0,0,1,0|2,0,0]=4 139 B6R1.2 ClC1=NNC=C1 23622 [0,1,0,0,1,0|2,0,0]=4 140 B6R1.2 FC1=CN=CN1 13602 [0,1,0,0,1,0|2,0,0]=4 141 B6R1.2 FC1=NC=CN1 13605 [0,1,0,0,1,0|2,0,0]=4 142 B6R1.2 IC1=CC=CS1 5547 [0,1,0,0,1,0|1,0,0]=3 143 B6R1.2 IC1=CN=CS1 27981 [0,1,0,0,1,0|2,0,0]=4 144 B6R1.2 IC1=CNC=N1 7930 [0,1,0,0,1,0|2,0,0]=4 145 B6R1.2 IC1=CNN=C1 13295 [0,1,0,0,1,0|2,0,0]=4 146 B6R1.2 IC1=CSC=C1 16213 [0,1,0,0,1,0|1,0,0]=3 147 B6R1.2 IC1=NC=CN1 9423 [0,1,0,0,1,0|2,0,0]=4 148 B6R1.2 NC1=CC=CN1 13838 [0,1,0,0,1,0|1,0,0]=3 149 B6R1.2 NC1=CC=NO1 24641 [0,1,0,0,1,0|2,0,0]=4 150 B6R1.2 NC1=CC=NS1 24255 [0,1,0,0,1,0|2,0,0]=4 151 B6R1.2 NC1=CN=CS1 17251 [0,1,0,0,1,0|2,0,0]=4 152 B6R1.2 NC1=CN=CS1 20291 [0,1,0,0,1,0|2,0,0]=4 153 B6R1.2 NC1=CNC=N1 19885 [0,1,0,0,1,0|2,0,0]=4 154 B6R1.2 NC1=CNN=C1 14988 [0,1,0,0,1,0|2,0,0]=4 155 B6R1.2 NC1=CON=C1 22316 [0,1,0,0,1,0|2,0,0]=4 156 B6R1.2 NC1=CSC=C1 14847 [0,1,0,0,1,0|1,0,0]=3 157 B6R1.2 NC1=CSC=C1 25687 [0,1,0,0,1,0|1,0,0]=3 158 B6R1.2 NC1=NC=CN1 23659 [0,1,0,0,1,0|2,0,0]=4 159 B6R1.2 NC1=NC=CN1 8378 [0,1,0,0,1,0|2,0,0]=4 160 B6R1.2 NC1=NC=CS1 20596 [0,1,0,0,1,0|2,0,0]=4 161 B6R1.2 NC1=NNC=C1 11252 [0,1,0,0,1,0|2,0,0]=4 162 B6R1.2 NC1=NNC=C1 17834 [0,1,0,0,1,0|2,0,0]=4 163 B6R1.2 NC1=NOC=C1 8627 [0,1,0,0,1,0|2,0,0]=4 164 B6R1.2 NN1C=CC=C1 12475 [0,1,0,0,1,0|1,0,0]=3 165 B6R1.2 NN1C=CC=C1 23913 [0,1,0,0,1,0|1,0,0]=3 166 B6R1.2 O=C1C=CCC1 9803 [0,1,0,0,1,0|0,0,2]=4 167 B6R1.2 O=C1C=CCN1 23871 [0,1,0,0,1,0|1,0,1]=4 168 B6R1.2 O=C1C=CNN1 23624 [0,1,0,0,1,0|2,0,0]=4 169 B6R1.2 O=C1C=CON1 27643 [0,1,0,0,1,0|2,0,0]=4 170 B6R1.2 O=C1C=CSN1 20292 [0,1,0,0,1,0|2,0,0]=4 171 B6R1.2 O=C1CC=CC1 12654 [0,1,0,0,1,0|0,0,2]=4 172 B6R1.2 O=C1NC=CN1 18114 [0,1,0,0,1,0|2,0,0]=4 173 B6R1.2 OC1=CC=NN1 23482 [0,1,0,0,1,0|2,0,0]=4 174 B6R1.2 ON1C=CC=N1 27109 [0,1,0,0,1,0|2,0,0]=4 175 B6R1.2 SC1=CC=CS1 7755 [0,1,0,0,1,0|1,0,0]=3 176 B6R1.2 SC1=NC=CO1 24604 [0,1,0,0,1,0|2,0,0]=4 177 B8R1.2 BrCC1=CC=CC=C1 13143 [0,2,0,0,0,0|0,0,0]=2 178 B8R1.2 BrCC1=CC=CN=C1 17664 [0,2,0,0,0,0|1,0,0]=3 179 B8R1.2 BrCC1=NC=NC=C1 23940 [0,2,0,0,0,0|2,0,0]=4 180 B8R1.2 Br[Mg]C1=CN=CN=C1 2073 [0,2,0,0,0,0|2,0,0]=4 181 B8R1.2 C#CC1=CC=CC=C1 15340 [0,2,0,0,0,0|0,0,0]=2 182 B8R1.2 C#CC1=CC=CN=C1 16106 [0,2,0,0,0,0|1,0,0]=3 183 B8R1.2 C#CC1=CC=NC=C1 19527 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.2 C=CC1=NC=CC=C1 23910 [0,2,0,0,0,0|1,0,0]=3 185 B8R1.2 CCC1=NC=NC=C1 23618 [0,2,0,0,0,0|2,0,0]=4 186 B8R1.2 CNC1=CC=CN=C1 14983 [0,2,0,0,0,0|1,0,0]=3 187 B8R1.2 CNC1=CC=NC=C1 12915 [0,2,0,0,0,0|1,0,0]=3 188 B8R1.2 CNC1=CN=CN=C1 25066 [0,2,0,0,0,0|2,0,0]=4 189 B8R1.2 COC1=CC=CC=C1 12830 [0,2,0,0,0,0|0,0,0]=2 190 B8R1.2 COC1=CC=CC=C1 17272 [0,2,0,0,0,0|0,0,0]=2 191 B8R1.2 COC1=CC=CN=C1 15370 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.2 COC1=CC=NC=C1 2585 [0,2,0,0,0,0|1,0,0]=3 193 B8R1.2 COC1=CN=CN=C1 25073 [0,2,0,0,0,0|2,0,0]=4 194 B8R1.2 COC1=NC=CC=C1 13201 [0,2,0,0,0,0|1,0,0]=3 195 B8R1.2 COC1=NC=CN=C1 8605 [0,2,0,0,0,0|2,0,0]=4 196 B8R1.2 COC1=NC=NC=C1 21029 [0,2,0,0,0,0|2,0,0]=4 197 B8R1.2 CSC1=CC=CC=C1 10578 [0,2,0,0,0,0|0,0,0]=2 198 B8R1.2 CSC1=NC=CC=C1 35938 [0,2,0,0,0,0|1,0,0]=3 199 B8R1.2 CSC1=NC=CN=C1 8604 [0,2,0,0,0,0|2,0,0]=4 200 B8R1.2 ClCC1=CC=CN=C1 9217 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.2 ClCC1=CC=NC=C1 15905 [0,2,0,0,0,0|1,0,0]=3 202 B8R1.2 ClCC1=NC=CC=C1 16732 [0,2,0,0,0,0|1,0,0]=3 203 B8R1.2 ClCC1=NC=CC=C1 36036 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.2 ClCC1=NC=CC=N1 21458 [0,2,0,0,0,0|2,0,0]=4 205 B8R1.2 ClCC1=NC=CC=N1 24800 [0,2,0,0,0,0|2,0,0]=4 206 B8R1.2 ClCC1=NC=CN=C1 32160 [0,2,0,0,0,0|2,0,0]=4 207 B8R1.2 N#CC1=CC=CN=C1 11233 [0,2,0,0,0,0|1,0,0]=3 208 B8R1.2 N#CC1=CC=NC=C1 11155 [0,2,0,0,0,0|1,0,0]=3 209 B8R1.2 N#CC1=CN=CN=C1 11102 [0,2,0,0,0,0|2,0,0]=4 210 B8R1.2 N#CC1=NC=CC=C1 6007 [0,2,0,0,0,0|1,0,0]=3 211 B8R1.2 N#CC1=NC=CC=N1 7042 [0,2,0,0,0,0|2,0,0]=4 212 B8R1.2 N#CC1=NC=CN=C1 8603 [0,2,0,0,0,0|2,0,0]=4 213 B8R1.2 N#CC1=NC=NC=C1 21035 [0,2,0,0,0,0|2,0,0]=4 214 B8R1.2 N#Cc1ccccc1 25507 [0,2,0,0,0,0|0,0,0]=2 215 B8R1.2 NCC1=CC=CC=C1 25530 [0,2,0,0,0,0|0,0,0]=2 216 B8R1.2 NCC1=CC=CN=C1 11140 [0,2,0,0,0,0|1,0,0]=3 217 B8R1.2 NCC1=CC=NC=C1 12407 [0,2,0,0,0,0|1,0,0]=3 218 B8R1.2 NCC1=NC=CC=C1 11142 [0,2,0,0,0,0|1,0,0]=3 219 B8R1.2 NCC1=NC=CC=N1 26329 [0,2,0,0,0,0|2,0,0]=4 220 B8R1.2 NCC1=NC=CN=C1 17822 [0,2,0,0,0,0|2,0,0]=4 221 B8R1.2 NNC1=CC=CC=C1 22925 [0,2,0,0,0,0|0,0,0]=2 222 B8R1.2 NNC1=CC=NC=C1 16313 [0,2,0,0,0,0|1,0,0]=3 223 B8R1.2 NNC1=NC=CC=C1 22630 [0,2,0,0,0,0|1,0,0]=3 224 B8R1.2 NNC1=NC=CN=C1 18786 [0,2,0,0,0,0|2,0,0]=4 225 B8R1.2 O=CC1=CC=CN=C1 1124 [0,2,0,0,0,0|1,0,0]=3 226 B8R1.2 O=CC1=CC=CN=N1 23311 [0,2,0,0,0,0|2,0,0]=4 227 B8R1.2 O=CC1=CC=NC=C1 11745 [0,2,0,0,0,0|1,0,0]=3 228 B8R1.2 O=CC1=CN=CN=C1 5298 [0,2,0,0,0,0|2,0,0]=4 229 B8R1.2 O=CC1=NC=CC=C1 11741 [0,2,0,0,0,0|1,0,0]=3 230 B8R1.2 O=CC1=NC=CC=N1 23190 [0,2,0,0,0,0|2,0,0]=4 231 B8R1.2 O=CC1=NC=CN=C1 32140 [0,2,0,0,0,0|2,0,0]=4 232 B8R1.2 OCC1=CC=CN=C1 11736 [0,2,0,0,0,0|1,0,0]=3 233 B8R1.2 OCC1=CC=NC=C1 11738 [0,2,0,0,0,0|1,0,0]=3 234 B8R1.2 OCC1=CN=CN=C1 9758 [0,2,0,0,0,0|2,0,0]=4 235 B8R1.2 OCC1=NC=CC=C1 9301 [0,2,0,0,0,0|1,0,0]=3 236 B8R1.2 OCC1=NC=CC=N1 9757 [0,2,0,0,0,0|2,0,0]=4 237 B8R1.2 OCC1=NC=CN=C1 32128 [0,2,0,0,0,0|2,0,0]=4 238 B8R1.2 OCC1=NC=NC=C1 9756 [0,2,0,0,0,0|2,0,0]=4 239 B8R1.2 SCC1=CC=CC=C1 6835 [0,2,0,0,0,0|0,0,0]=2 240 B8R1.2 SCC1=CC=CN=C1 25049 [0,2,0,0,0,0|1,0,0]=3 241 B8R1.2 SCC1=CC=NC=C1 25053 [0,2,0,0,0,0|1,0,0]=3 242 B8R1.2 SCC1=NC=CC=C1 25013 [0,2,0,0,0,0|1,0,0]=3 243 B8R1.2 SCC1=NC=CN=C1 32116 [0,2,0,0,0,0|2,0,0]=4 244 B8R1.3 BrC1=CC=C(Br)C=C1 10875 [0,2,0,0,0,0|0,0,0]=2 245 B8R1.3 BrC1=CC=C(Br)N=N1 12385 [0,2,0,0,0,0|2,0,0]=4 246 B8R1.3 BrC1=CC=C(I)C=C1 27467 [0,2,0,0,0,0|0,0,0]=2 247 B8R1.3 BrC1=CC=C(I)C=C1 3786 [0,2,0,0,0,0|0,0,0]=2 248 B8R1.3 BrC1=CN=C(Br)C=C1 1111 [0,2,0,0,0,0|1,0,0]=3 249 B8R1.3 BrC1=CN=C(Br)C=N1 18033 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.3 BrC1=CN=C(Br)N=C1 17477 [0,2,0,0,0,0|2,0,0]=4 251 B8R1.3 BrC1=CN=C(I)C=C1 2409 [0,2,0,0,0,0|1,0,0]=3 252 B8R1.3 BrC1=CN=C(I)N=C1 6900 [0,2,0,0,0,0|2,0,0]=4 253 B8R1.3 BrC1=NC=C(I)C=C1 5969 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.3 BrC1=NC=C(I)C=N1 34786 [0,2,0,0,0,0|2,0,0]=4 255 B8R1.3 BrC1=NC=C(I)N=C1 22622 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.3 CC1=CC=C(Br)C=C1 21011 [0,2,0,0,0,0|0,0,0]=2 257 B8R1.3 CC1=CC=C(Br)N=N1 28224 [0,2,0,0,0,0|2,0,0]=4 258 B8R1.3 CC1=CC=C(C)N=N1 20402 [0,2,0,0,0,0|2,0,0]=4 259 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [0,2,0,0,0,0|0,0,0]=2 260 B8R1.3 CC1=CC=C(Cl)N=N1 10467 [0,2,0,0,0,0|2,0,0]=4 261 B8R1.3 CC1=CC=C(F)C=C1 12887 [0,2,0,0,0,0|0,0,0]=2 262 B8R1.3 CC1=CC=C(I)C=C1 4548 [0,2,0,0,0,0|0,0,0]=2 263 B8R1.3 CC1=CC=C(O)C=C1 23326 [0,2,0,0,0,0|0,0,0]=2 264 B8R1.3 CC1=CC=C(S)C=C1 6809 [0,2,0,0,0,0|0,0,0]=2 265 B8R1.3 CC1=CN=C(Br)C=C1 1185 [0,2,0,0,0,0|1,0,0]=3 266 B8R1.3 CC1=CN=C(Br)C=N1 18038 [0,2,0,0,0,0|2,0,0]=4 267 B8R1.3 CC1=CN=C(Br)N=C1 34383 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.3 CC1=CN=C(C)C=C1 20994 [0,2,0,0,0,0|1,0,0]=3 269 B8R1.3 CC1=CN=C(C)C=N1 8608 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [0,2,0,0,0,0|1,0,0]=3 271 B8R1.3 CC1=CN=C(Cl)N=C1 11095 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.3 CC1=CN=C(F)C=C1 4059 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.3 CC1=CN=C(I)N=C1 34875 [0,2,0,0,0,0|2,0,0]=4 274 B8R1.3 CC1=CN=C(N)C=C1 1159 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.3 CC1=CN=C(N)C=N1 15710 [0,2,0,0,0,0|2,0,0]=4 276 B8R1.3 CC1=CN=C(O)C=C1 14321 [0,2,0,0,0,0|1,0,0]=3 277 B8R1.3 CC1=CN=C(O)C=C1 27251 [0,2,0,0,0,0|1,0,0]=3 278 B8R1.3 CC1=NC=C(Br)C=C1 4058 [0,2,0,0,0,0|1,0,0]=3 279 B8R1.3 CC1=NC=C(Br)C=N1 15231 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [0,2,0,0,0,0|1,0,0]=3 281 B8R1.3 CC1=NC=C(F)C=C1 2224 [0,2,0,0,0,0|1,0,0]=3 282 B8R1.3 CC1=NC=C(I)C=C1 6698 [0,2,0,0,0,0|1,0,0]=3 283 B8R1.3 CC1=NC=C(N)C=C1 1280 [0,2,0,0,0,0|1,0,0]=3 284 B8R1.3 CC1=NC=C(N)C=N1 22766 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.3 CC1=NC=C(O)C=C1 6696 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.3 CC1=NC=C(O)C=N1 21855 [0,2,0,0,0,0|2,0,0]=4 287 B8R1.3 CC1=NNC(=O)C=C1 28171 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.3 ClC1=CC=C(Br)C=C1 10226 [0,2,0,0,0,0|0,0,0]=2 289 B8R1.3 ClC1=CC=C(Cl)N=N1 9487 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.3 ClC1=CC=C(I)C=C1 3648 [0,2,0,0,0,0|0,0,0]=2 291 B8R1.3 ClC1=CN=C(Br)C=C1 1169 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.3 ClC1=CN=C(Br)N=C1 17481 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.3 ClC1=CN=C(Cl)C=C1 1199 [0,2,0,0,0,0|1,0,0]=3 294 B8R1.3 ClC1=CN=C(Cl)C=N1 23583 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.3 ClC1=CN=C(Cl)N=C1 13600 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.3 ClC1=CN=C(I)C=C1 6574 [0,2,0,0,0,0|1,0,0]=3 297 B8R1.3 ClC1=CN=C(I)N=C1 14957 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.3 ClC1=NC=C(Br)C=C1 1168 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.3 ClC1=NC=C(Br)C=N1 5159 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.3 ClC1=NC=C(I)C=C1 2078 [0,2,0,0,0,0|1,0,0]=3 301 B8R1.3 ClC1=NC=C(I)C=N1 21488 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.3 FC1=CC=C(Br)C=C1 2251 [0,2,0,0,0,0|0,0,0]=2 303 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [0,2,0,0,0,0|0,0,0]=2 304 B8R1.3 FC1=CC=C(F)C=C1 2309 [0,2,0,0,0,0|0,0,0]=2 305 B8R1.3 FC1=CC=C(I)C=C1 2103 [0,2,0,0,0,0|0,0,0]=2 306 B8R1.3 FC1=CC=C(S)C=C1 5431 [0,2,0,0,0,0|0,0,0]=2 307 B8R1.3 FC1=CN=C(Br)C=C1 1099 [0,2,0,0,0,0|1,0,0]=3 308 B8R1.3 FC1=CN=C(Br)C=N1 27381 [0,2,0,0,0,0|2,0,0]=4 309 B8R1.3 FC1=CN=C(Cl)C=C1 1097 [0,2,0,0,0,0|1,0,0]=3 310 B8R1.3 FC1=CN=C(Cl)N=C1 4684 [0,2,0,0,0,0|2,0,0]=4 311 B8R1.3 FC1=CN=C(F)C=C1 14398 [0,2,0,0,0,0|1,0,0]=3 312 B8R1.3 FC1=NC=C(Br)C=C1 3550 [0,2,0,0,0,0|1,0,0]=3 313 B8R1.3 FC1=NC=C(Br)C=N1 3589 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.3 FC1=NC=C(Cl)C=C1 1186 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.3 FC1=NC=C(I)C=C1 6324 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.3 IC1=CC=C(I)C=C1 3837 [0,2,0,0,0,0|0,0,0]=2 317 B8R1.3 IC1=CN=C(I)C=C1 5524 [0,2,0,0,0,0|1,0,0]=3 318 B8R1.3 NC1=CC=C(Br)C=C1 3724 [0,2,0,0,0,0|0,0,0]=2 319 B8R1.3 NC1=CC=C(Br)N=N1 26622 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.3 NC1=CC=C(Cl)C=C1 16666 [0,2,0,0,0,0|0,0,0]=2 321 B8R1.3 NC1=CC=C(Cl)N=N1 9496 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.3 NC1=CC=C(F)C=C1 10782 [0,2,0,0,0,0|0,0,0]=2 323 B8R1.3 NC1=CC=C(F)C=C1 5246 [0,2,0,0,0,0|0,0,0]=2 324 B8R1.3 NC1=CC=C(I)C=C1 10572 [0,2,0,0,0,0|0,0,0]=2 325 B8R1.3 NC1=CC=C(N)C=C1 22180 [0,2,0,0,0,0|0,0,0]=2 326 B8R1.3 NC1=CC=C(O)C=C1 22199 [0,2,0,0,0,0|0,0,0]=2 327 B8R1.3 NC1=CC=C(S)C=C1 2471 [0,2,0,0,0,0|0,0,0]=2 328 B8R1.3 NC1=CN=C(Br)C=C1 1100 [0,2,0,0,0,0|1,0,0]=3 329 B8R1.3 NC1=CN=C(Br)N=C1 24711 [0,2,0,0,0,0|2,0,0]=4 330 B8R1.3 NC1=CN=C(Cl)C=C1 2406 [0,2,0,0,0,0|1,0,0]=3 331 B8R1.3 NC1=CN=C(Cl)N=C1 6963 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.3 NC1=CN=C(F)C=C1 1155 [0,2,0,0,0,0|1,0,0]=3 333 B8R1.3 NC1=CN=C(I)C=C1 6572 [0,2,0,0,0,0|1,0,0]=3 334 B8R1.3 NC1=CN=C(N)C=C1 13202 [0,2,0,0,0,0|1,0,0]=3 335 B8R1.3 NC1=CN=C(N)C=C1 5497 [0,2,0,0,0,0|1,0,0]=3 336 B8R1.3 NC1=CN=C(O)C=C1 14125 [0,2,0,0,0,0|1,0,0]=3 337 B8R1.3 NC1=CN=C(O)C=C1 6563 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.3 NC1=NC=C(Br)C=C1 1107 [0,2,0,0,0,0|1,0,0]=3 339 B8R1.3 NC1=NC=C(Br)C=N1 6986 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.3 NC1=NC=C(Br)N=C1 8867 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.3 NC1=NC=C(Cl)C=C1 1153 [0,2,0,0,0,0|1,0,0]=3 342 B8R1.3 NC1=NC=C(Cl)C=N1 9619 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.3 NC1=NC=C(Cl)N=C1 17501 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.3 NC1=NC=C(F)C=C1 1109 [0,2,0,0,0,0|1,0,0]=3 345 B8R1.3 NC1=NC=C(I)C=C1 2407 [0,2,0,0,0,0|1,0,0]=3 346 B8R1.3 NC1=NC=C(I)N=C1 23605 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.3 NC1=NC=C(O)C=C1 5754 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.3 NC1=NC=C(O)C=N1 21503 [0,2,0,0,0,0|2,0,0]=4 349 B8R1.3 NC1=NC=C(O)N=C1 35940 [0,2,0,0,0,0|2,0,0]=4 350 B8R1.3 O=C1C=CC(=O)C=C1 14592 [0,2,0,0,0,0|0,0,0]=2 351 B8R1.3 O=C1N=CC(Br)=CN1 6903 [0,2,0,0,0,0|2,0,0]=4 352 B8R1.3 OC1=CC=C(Br)C=C1 19708 [0,2,0,0,0,0|0,0,0]=2 353 B8R1.3 OC1=CC=C(Br)N=C1 24844 [0,2,0,0,0,0|1,0,0]=3 354 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [0,2,0,0,0,0|0,0,0]=2 355 B8R1.3 OC1=CC=C(Cl)N=N1 26471 [0,2,0,0,0,0|2,0,0]=4 356 B8R1.3 OC1=CC=C(F)C=C1 2314 [0,2,0,0,0,0|0,0,0]=2 357 B8R1.3 OC1=CC=C(I)C=C1 3199 [0,2,0,0,0,0|0,0,0]=2 358 B8R1.3 OC1=CC=C(O)C=C1 9139 [0,2,0,0,0,0|0,0,0]=2 359 B8R1.3 OC1=CC=C(O)N=N1 15702 [0,2,0,0,0,0|2,0,0]=4 360 B8R1.3 OC1=CC=C(S)C=C1 2464 [0,2,0,0,0,0|0,0,0]=2 361 B8R1.3 OC1=CN=C(Br)C=C1 5967 [0,2,0,0,0,0|1,0,0]=3 362 B8R1.3 OC1=CN=C(Br)C=N1 7870 [0,2,0,0,0,0|2,0,0]=4 363 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [0,2,0,0,0,0|1,0,0]=3 364 B8R1.3 OC1=CN=C(Cl)N=C1 10664 [0,2,0,0,0,0|2,0,0]=4 365 B8R1.3 OC1=CN=C(F)C=C1 6321 [0,2,0,0,0,0|1,0,0]=3 366 B8R1.3 OC1=CN=C(O)C=C1 5522 [0,2,0,0,0,0|1,0,0]=3 367 B8R1.3 OC1=NC=C(Br)C=C1 1178 [0,2,0,0,0,0|1,0,0]=3 368 B8R1.3 OC1=NC=C(Br)C=N1 24602 [0,2,0,0,0,0|2,0,0]=4 369 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [0,2,0,0,0,0|1,0,0]=3 370 B8R1.3 OC1=NC=C(Cl)C=N1 7009 [0,2,0,0,0,0|2,0,0]=4 371 B8R1.3 OC1=NC=C(Cl)N=C1 23585 [0,2,0,0,0,0|2,0,0]=4 372 B8R1.3 OC1=NC=C(F)C=C1 6566 [0,2,0,0,0,0|1,0,0]=3 373 B8R1.3 OC1=NC=C(I)C=C1 6567 [0,2,0,0,0,0|1,0,0]=3 374 B8R1.3 SC1=CC=C(Br)C=C1 4043 [0,2,0,0,0,0|0,0,0]=2 375 B8R1.3 SC1=CC=C(Cl)C=C1 6790 [0,2,0,0,0,0|0,0,0]=2 376 B8R1.3 SC1=CC=C(S)C=C1 6866 [0,2,0,0,0,0|0,0,0]=2 377 B8R1.3 SC1=NC=C(Cl)C=C1 19566 [0,2,0,0,0,0|1,0,0]=3 378 B8R1.3 [O-][N+]1=CC=C(Cl)C=C1 19817 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.4 BrC1=CC(Br)=NC=C1 5452 [0,2,0,0,0,0|1,0,0]=3 380 B8R1.4 BrC1=CC(Br)=NC=C1 5453 [0,2,0,0,0,0|1,0,0]=3 381 B8R1.4 BrC1=CC(Br)=NC=N1 27354 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.4 BrC1=CC(I)=CC=C1 3785 [0,2,0,0,0,0|0,0,0]=2 383 B8R1.4 BrC1=CC(I)=CN=C1 8080 [0,2,0,0,0,0|1,0,0]=3 384 B8R1.4 BrC1=CC=CC(Br)=C1 3855 [0,2,0,0,0,0|0,0,0]=2 385 B8R1.4 BrC1=CC=CC(Br)=N1 3204 [0,2,0,0,0,0|1,0,0]=3 386 B8R1.4 BrC1=CN=CC(Br)=C1 2133 [0,2,0,0,0,0|1,0,0]=3 387 B8R1.4 BrC1=CN=CC(Br)=N1 32156 [0,2,0,0,0,0|2,0,0]=4 388 B8R1.4 BrC1=CN=NC(Br)=C1 28202 [0,2,0,0,0,0|2,0,0]=4 389 B8R1.4 BrC1=NC(Br)=NC=C1 6894 [0,2,0,0,0,0|2,0,0]=4 390 B8R1.4 BrC1=NC=CC(I)=C1 5956 [0,2,0,0,0,0|1,0,0]=3 391 B8R1.4 CC1=CC(=O)NN=C1 11016 [0,2,0,0,0,0|2,0,0]=4 392 B8R1.4 CC1=CC(Br)=CC=C1 3836 [0,2,0,0,0,0|0,0,0]=2 393 B8R1.4 CC1=CC(Br)=NC=C1 1184 [0,2,0,0,0,0|1,0,0]=3 394 B8R1.4 CC1=CC(Br)=NC=N1 23632 [0,2,0,0,0,0|2,0,0]=4 395 B8R1.4 CC1=CC(C)=NC=C1 20508 [0,2,0,0,0,0|1,0,0]=3 396 B8R1.4 CC1=CC(C)=NC=N1 21498 [0,2,0,0,0,0|2,0,0]=4 397 B8R1.4 CC1=CC(Cl)=CC=C1 3678 [0,2,0,0,0,0|0,0,0]=2 398 B8R1.4 CC1=CC(Cl)=NC=C1 1192 [0,2,0,0,0,0|1,0,0]=3 399 B8R1.4 CC1=CC(Cl)=NC=N1 13240 [0,2,0,0,0,0|2,0,0]=4 400 B8R1.4 CC1=CC(F)=NC=C1 1203 [0,2,0,0,0,0|1,0,0]=3 401 B8R1.4 CC1=CC(I)=CC=C1 12585 [0,2,0,0,0,0|0,0,0]=2 402 B8R1.4 CC1=CC(I)=NC=C1 13513 [0,2,0,0,0,0|1,0,0]=3 403 B8R1.4 CC1=CC(N)=NC=C1 2238 [0,2,0,0,0,0|1,0,0]=3 404 B8R1.4 CC1=CC(O)=NC=C1 1206 [0,2,0,0,0,0|1,0,0]=3 405 B8R1.4 CC1=CC(O)=NC=N1 11013 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.4 CC1=CC=CC(Br)=N1 1139 [0,2,0,0,0,0|1,0,0]=3 407 B8R1.4 CC1=CC=CC(C)=N1 14295 [0,2,0,0,0,0|1,0,0]=3 408 B8R1.4 CC1=CC=CC(C)=N1 15897 [0,2,0,0,0,0|1,0,0]=3 409 B8R1.4 CC1=CC=CC(Cl)=N1 1194 [0,2,0,0,0,0|1,0,0]=3 410 B8R1.4 CC1=CC=CC(F)=C1 24460 [0,2,0,0,0,0|0,0,0]=2 411 B8R1.4 CC1=CC=CC(F)=N1 6443 [0,2,0,0,0,0|1,0,0]=3 412 B8R1.4 CC1=CC=CC(I)=N1 34165 [0,2,0,0,0,0|1,0,0]=3 413 B8R1.4 CC1=CC=CC(N)=N1 5922 [0,2,0,0,0,0|1,0,0]=3 414 B8R1.4 CC1=CC=CC(O)=N1 1114 [0,2,0,0,0,0|1,0,0]=3 415 B8R1.4 CC1=CC=CC(S)=C1 6808 [0,2,0,0,0,0|0,0,0]=2 416 B8R1.4 CC1=CC=C[N+]([O-])=C1 25351 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.4 CC1=CN=CC(Br)=C1 4036 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.4 CC1=CN=CC(Br)=N1 32151 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.4 CC1=CN=CC(C)=N1 8609 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.4 CC1=CN=CC(Cl)=N1 18034 [0,2,0,0,0,0|2,0,0]=4 421 B8R1.4 CC1=CN=CC(F)=C1 10630 [0,2,0,0,0,0|1,0,0]=3 422 B8R1.4 CC1=CN=CC(N)=C1 1279 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.4 CC1=CN=CC(N)=C1 9634 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.4 CC1=CN=CC(N)=N1 32122 [0,2,0,0,0,0|2,0,0]=4 425 B8R1.4 CC1=CN=CC(O)=C1 6629 [0,2,0,0,0,0|1,0,0]=3 426 B8R1.4 CC1=CN=NC(Cl)=C1 11014 [0,2,0,0,0,0|2,0,0]=4 427 B8R1.4 CC1=NC(Br)=NC=C1 7007 [0,2,0,0,0,0|2,0,0]=4 428 B8R1.4 CC1=NC(Cl)=NC=C1 6906 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.4 CC1=NC(N)=NC=C1 6978 [0,2,0,0,0,0|2,0,0]=4 430 B8R1.4 CC1=NC(O)=NC=C1 22005 [0,2,0,0,0,0|2,0,0]=4 431 B8R1.4 CC1=NC(S)=NC=C1 21990 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.4 CC1=NC=CC(Br)=C1 4035 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.4 CC1=NC=CC(Cl)=C1 2071 [0,2,0,0,0,0|1,0,0]=3 434 B8R1.4 CC1=NC=CC(Cl)=N1 16387 [0,2,0,0,0,0|2,0,0]=4 435 B8R1.4 CC1=NC=CC(F)=C1 21038 [0,2,0,0,0,0|1,0,0]=3 436 B8R1.4 CC1=NC=CC(N)=C1 1118 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.4 CC1=NC=CC(O)=C1 17657 [0,2,0,0,0,0|1,0,0]=3 438 B8R1.4 ClC1=CC(Br)=NC=C1 13533 [0,2,0,0,0,0|1,0,0]=3 439 B8R1.4 ClC1=CC(Br)=NC=N1 33259 [0,2,0,0,0,0|2,0,0]=4 440 B8R1.4 ClC1=CC(Cl)=NC=C1 3531 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.4 ClC1=CC(Cl)=NC=N1 6913 [0,2,0,0,0,0|2,0,0]=4 442 B8R1.4 ClC1=CC(I)=CC=C1 3647 [0,2,0,0,0,0|0,0,0]=2 443 B8R1.4 ClC1=CC(I)=CN=C1 16622 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.4 ClC1=CC(I)=NC=C1 33538 [0,2,0,0,0,0|1,0,0]=3 445 B8R1.4 ClC1=CC=CC(Br)=C1 3583 [0,2,0,0,0,0|0,0,0]=2 446 B8R1.4 ClC1=CC=CC(Br)=N1 9626 [0,2,0,0,0,0|1,0,0]=3 447 B8R1.4 ClC1=CC=CC(Cl)=C1 13088 [0,2,0,0,0,0|0,0,0]=2 448 B8R1.4 ClC1=CC=CC(Cl)=N1 2564 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.4 ClC1=CN=CC(Br)=C1 7700 [0,2,0,0,0,0|1,0,0]=3 450 B8R1.4 ClC1=CN=CC(Cl)=C1 13506 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.4 ClC1=CN=CC(Cl)=N1 8548 [0,2,0,0,0,0|2,0,0]=4 452 B8R1.4 ClC1=NC(Br)=NC=C1 27256 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.4 ClC1=NC(Cl)=NC=C1 4006 [0,2,0,0,0,0|2,0,0]=4 454 B8R1.4 ClC1=NC(I)=CC=C1 8082 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.4 ClC1=NC=CC(Br)=C1 1171 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.4 ClC1=NC=CC(Br)=N1 27431 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.4 ClC1=NC=CC(I)=C1 2579 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.4 ClC1=NC=NC(I)=C1 33260 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.4 FC1=CC(Br)=NC=C1 3004 [0,2,0,0,0,0|1,0,0]=3 460 B8R1.4 FC1=CC(Cl)=NC=C1 6180 [0,2,0,0,0,0|1,0,0]=3 461 B8R1.4 FC1=CC(Cl)=NC=N1 36199 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.4 FC1=CC(F)=NC=C1 16929 [0,2,0,0,0,0|1,0,0]=3 463 B8R1.4 FC1=CC(F)=NC=N1 32088 [0,2,0,0,0,0|2,0,0]=4 464 B8R1.4 FC1=CC(I)=CC=C1 3497 [0,2,0,0,0,0|0,0,0]=2 465 B8R1.4 FC1=CC(I)=CN=C1 36304 [0,2,0,0,0,0|1,0,0]=3 466 B8R1.4 FC1=CC=CC(Br)=C1 2300 [0,2,0,0,0,0|0,0,0]=2 467 B8R1.4 FC1=CC=CC(Br)=N1 26678 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.4 FC1=CC=CC(Cl)=C1 3419 [0,2,0,0,0,0|0,0,0]=2 469 B8R1.4 FC1=CC=CC(Cl)=N1 9216 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.4 FC1=CC=CC(F)=C1 2308 [0,2,0,0,0,0|0,0,0]=2 471 B8R1.4 FC1=CC=CC(F)=N1 9241 [0,2,0,0,0,0|1,0,0]=3 472 B8R1.4 FC1=CC=CC(S)=C1 5429 [0,2,0,0,0,0|0,0,0]=2 473 B8R1.4 FC1=CN=CC(Br)=C1 3964 [0,2,0,0,0,0|1,0,0]=3 474 B8R1.4 FC1=CN=CC(Cl)=C1 6620 [0,2,0,0,0,0|1,0,0]=3 475 B8R1.4 FC1=CN=CC(F)=C1 10556 [0,2,0,0,0,0|1,0,0]=3 476 B8R1.4 FC1=NC(Br)=CC=C1 14324 [0,2,0,0,0,0|1,0,0]=3 477 B8R1.4 FC1=NC=CC(Br)=C1 1228 [0,2,0,0,0,0|1,0,0]=3 478 B8R1.4 FC1=NC=CC(Br)=N1 22389 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.4 FC1=NC=CC(Cl)=C1 13535 [0,2,0,0,0,0|1,0,0]=3 480 B8R1.4 FC1=NC=CC(I)=C1 3510 [0,2,0,0,0,0|1,0,0]=3 481 B8R1.4 IC1=CC=CC(I)=C1 3833 [0,2,0,0,0,0|0,0,0]=2 482 B8R1.4 IC1=CC=CC(I)=N1 9247 [0,2,0,0,0,0|1,0,0]=3 483 B8R1.4 NC1=CC(Br)=CC=C1 3723 [0,2,0,0,0,0|0,0,0]=2 484 B8R1.4 NC1=CC(Br)=CN=C1 1213 [0,2,0,0,0,0|1,0,0]=3 485 B8R1.4 NC1=CC(Br)=CN=N1 21540 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.4 NC1=CC(Br)=NC=C1 1222 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.4 NC1=CC(Cl)=CC=C1 20239 [0,2,0,0,0,0|0,0,0]=2 488 B8R1.4 NC1=CC(Cl)=CN=C1 33660 [0,2,0,0,0,0|1,0,0]=3 489 B8R1.4 NC1=CC(Cl)=NC=C1 1248 [0,2,0,0,0,0|1,0,0]=3 490 B8R1.4 NC1=CC(F)=CC=C1 10751 [0,2,0,0,0,0|0,0,0]=2 491 B8R1.4 NC1=CC(F)=CC=C1 13943 [0,2,0,0,0,0|0,0,0]=2 492 B8R1.4 NC1=CC(F)=CN=C1 1260 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.4 NC1=CC(F)=NC=C1 1227 [0,2,0,0,0,0|1,0,0]=3 494 B8R1.4 NC1=CC(I)=CC=C1 10577 [0,2,0,0,0,0|0,0,0]=2 495 B8R1.4 NC1=CC(I)=CN=C1 27047 [0,2,0,0,0,0|1,0,0]=3 496 B8R1.4 NC1=CC(N)=NC=C1 5418 [0,2,0,0,0,0|1,0,0]=3 497 B8R1.4 NC1=CC(N)=NC=N1 7074 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.4 NC1=CC(O)=NC=C1 6648 [0,2,0,0,0,0|1,0,0]=3 499 B8R1.4 NC1=CC=CC(N)=N1 15371 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.4 NC1=CC=CC(O)=C1 18119 [0,2,0,0,0,0|0,0,0]=2 501 B8R1.4 NC1=CC=CC(O)=N1 25861 [0,2,0,0,0,0|1,0,0]=3 502 B8R1.4 NC1=CC=CC(S)=C1 2470 [0,2,0,0,0,0|0,0,0]=2 503 B8R1.4 NC1=CN=CC(N)=C1 2257 [0,2,0,0,0,0|1,0,0]=3 504 B8R1.4 NC1=CN=CC(N)=N1 32132 [0,2,0,0,0,0|2,0,0]=4 505 B8R1.4 NC1=CN=CC(O)=C1 6627 [0,2,0,0,0,0|1,0,0]=3 506 B8R1.4 NC1=NC(=O)NC=C1 14137 [0,2,0,0,0,0|2,0,0]=4 507 B8R1.4 NC1=NC(Br)=CC=C1 17525 [0,2,0,0,0,0|1,0,0]=3 508 B8R1.4 NC1=NC(Br)=CC=C1 7663 [0,2,0,0,0,0|1,0,0]=3 509 B8R1.4 NC1=NC(Br)=CN=C1 32146 [0,2,0,0,0,0|2,0,0]=4 510 B8R1.4 NC1=NC(Br)=NC=C1 27388 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.4 NC1=NC(Cl)=CC=C1 9117 [0,2,0,0,0,0|1,0,0]=3 512 B8R1.4 NC1=NC(Cl)=CN=C1 8386 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.4 NC1=NC(Cl)=CN=C1 8543 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.4 NC1=NC(Cl)=NC=C1 6955 [0,2,0,0,0,0|2,0,0]=4 515 B8R1.4 NC1=NC(F)=CC=C1 2979 [0,2,0,0,0,0|1,0,0]=3 516 B8R1.4 NC1=NC(I)=CC=C1 26933 [0,2,0,0,0,0|1,0,0]=3 517 B8R1.4 NC1=NC(N)=NC=C1 7056 [0,2,0,0,0,0|2,0,0]=4 518 B8R1.4 NC1=NC=CC(=O)N1 15780 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.4 NC1=NC=CC(Br)=C1 4039 [0,2,0,0,0,0|1,0,0]=3 520 B8R1.4 NC1=NC=CC(Br)=N1 16291 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.4 NC1=NC=CC(Cl)=C1 5695 [0,2,0,0,0,0|1,0,0]=3 522 B8R1.4 NC1=NC=CC(Cl)=N1 7347 [0,2,0,0,0,0|2,0,0]=4 523 B8R1.4 NC1=NC=CC(F)=C1 19911 [0,2,0,0,0,0|1,0,0]=3 524 B8R1.4 NC1=NC=CC(O)=C1 6677 [0,2,0,0,0,0|1,0,0]=3 525 B8R1.4 NC1=NC=NC(Cl)=C1 6990 [0,2,0,0,0,0|2,0,0]=4 526 B8R1.4 NC1=NC=NC(O)=C1 6996 [0,2,0,0,0,0|2,0,0]=4 527 B8R1.4 O=C1C=C(I)C=NN1 25811 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.4 O=C1C=CNC(=O)N1 14135 [0,2,0,0,0,0|2,0,0]=4 529 B8R1.4 O=C1C=CNC(=O)N1 35602 [0,2,0,0,0,0|2,0,0]=4 530 B8R1.4 O=C1C=CNC(=S)N1 27221 [0,2,0,0,0,0|2,0,0]=4 531 B8R1.4 OC1=CC(Br)=CC=C1 3824 [0,2,0,0,0,0|0,0,0]=2 532 B8R1.4 OC1=CC(Br)=CN=C1 9214 [0,2,0,0,0,0|1,0,0]=3 533 B8R1.4 OC1=CC(Br)=NC=C1 23393 [0,2,0,0,0,0|1,0,0]=3 534 B8R1.4 OC1=CC(Cl)=CC=C1 3677 [0,2,0,0,0,0|0,0,0]=2 535 B8R1.4 OC1=CC(Cl)=CN=C1 6628 [0,2,0,0,0,0|1,0,0]=3 536 B8R1.4 OC1=CC(Cl)=NC=C1 2578 [0,2,0,0,0,0|1,0,0]=3 537 B8R1.4 OC1=CC(F)=CC=C1 3884 [0,2,0,0,0,0|0,0,0]=2 538 B8R1.4 OC1=CC(I)=CC=C1 3968 [0,2,0,0,0,0|0,0,0]=2 539 B8R1.4 OC1=CC(I)=CN=C1 27396 [0,2,0,0,0,0|1,0,0]=3 540 B8R1.4 OC1=CC(O)=NC=C1 5487 [0,2,0,0,0,0|1,0,0]=3 541 B8R1.4 OC1=CC(O)=NC=N1 7102 [0,2,0,0,0,0|2,0,0]=4 542 B8R1.4 OC1=CC=CC(Br)=N1 15211 [0,2,0,0,0,0|1,0,0]=3 543 B8R1.4 OC1=CC=CC(Cl)=N1 12988 [0,2,0,0,0,0|1,0,0]=3 544 B8R1.4 OC1=CC=CC(O)=C1 22214 [0,2,0,0,0,0|0,0,0]=2 545 B8R1.4 OC1=CC=CC(O)=N1 17666 [0,2,0,0,0,0|1,0,0]=3 546 B8R1.4 OC1=CC=CC(S)=C1 6829 [0,2,0,0,0,0|0,0,0]=2 547 B8R1.4 OC1=CN=CC(F)=C1 6625 [0,2,0,0,0,0|1,0,0]=3 548 B8R1.4 OC1=CN=CC(O)=C1 27828 [0,2,0,0,0,0|1,0,0]=3 549 B8R1.4 OC1=NC(Cl)=CN=C1 22112 [0,2,0,0,0,0|2,0,0]=4 550 B8R1.4 OC1=NC(Cl)=NC=C1 19316 [0,2,0,0,0,0|2,0,0]=4 551 B8R1.4 OC1=NC=CC(Br)=C1 6560 [0,2,0,0,0,0|1,0,0]=3 552 B8R1.4 OC1=NC=CC(Cl)=C1 9621 [0,2,0,0,0,0|1,0,0]=3 553 B8R1.4 OC1=NC=CC(I)=C1 27672 [0,2,0,0,0,0|1,0,0]=3 554 B8R1.4 OC1=NC=NC(Cl)=C1 7030 [0,2,0,0,0,0|2,0,0]=4 555 B8R1.4 SC1=CC(Br)=CC=C1 6805 [0,2,0,0,0,0|0,0,0]=2 556 B8R1.4 SC1=CC(Cl)=CC=C1 6785 [0,2,0,0,0,0|0,0,0]=2 557 B8R1.4 SC1=NC(S)=NC=C1 13569 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.4 [O-][N+]1=CC(Br)=CC=C1 20423 [0,2,0,0,0,0|1,0,0]=3 559 B8R1.4 [O-][N+]1=CC(Cl)=CC=C1 1197 [0,2,0,0,0,0|1,0,0]=3 560 B8R1.4 [O-][N+]1=CC(F)=CC=C1 14114 [0,2,0,0,0,0|1,0,0]=3 561 B8R1.4 [O-][N+]1=CN=CC(O)=C1 25054 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.5 BrC1=C(Br)C=CC=C1 3852 [0,2,0,0,0,0|0,0,0]=2 563 B8R1.5 BrC1=C(Br)C=NC=C1 6611 [0,2,0,0,0,0|1,0,0]=3 564 B8R1.5 BrC1=C(I)C=CC=C1 19983 [0,2,0,0,0,0|0,0,0]=2 565 B8R1.5 BrC1=C(I)C=CC=C1 2278 [0,2,0,0,0,0|0,0,0]=2 566 B8R1.5 BrC1=C(I)C=CN=C1 35720 [0,2,0,0,0,0|1,0,0]=3 567 B8R1.5 BrC1=CC=CN=C1Br 5402 [0,2,0,0,0,0|1,0,0]=3 568 B8R1.5 BrC1=CC=CN=C1I 11018 [0,2,0,0,0,0|1,0,0]=3 569 B8R1.5 BrC1=NC=CC=C1I 13529 [0,2,0,0,0,0|1,0,0]=3 570 B8R1.5 CC1=C(Br)C=CC=C1 3834 [0,2,0,0,0,0|0,0,0]=2 571 B8R1.5 CC1=C(Br)C=CN=C1 10604 [0,2,0,0,0,0|1,0,0]=3 572 B8R1.5 CC1=C(Br)C=CN=C1 6889 [0,2,0,0,0,0|1,0,0]=3 573 B8R1.5 CC1=C(Br)C=NC=C1 3994 [0,2,0,0,0,0|1,0,0]=3 574 B8R1.5 CC1=C(Cl)C=CC=C1 19748 [0,2,0,0,0,0|0,0,0]=2 575 B8R1.5 CC1=C(Cl)C=CN=C1 17464 [0,2,0,0,0,0|1,0,0]=3 576 B8R1.5 CC1=C(Cl)C=CN=C1 9218 [0,2,0,0,0,0|1,0,0]=3 577 B8R1.5 CC1=C(Cl)C=NC=C1 14323 [0,2,0,0,0,0|1,0,0]=3 578 B8R1.5 CC1=C(Cl)N=NC=C1 11015 [0,2,0,0,0,0|2,0,0]=4 579 B8R1.5 CC1=C(F)C=CN=C1 15249 [0,2,0,0,0,0|1,0,0]=3 580 B8R1.5 CC1=C(F)C=NC=C1 9251 [0,2,0,0,0,0|1,0,0]=3 581 B8R1.5 CC1=C(I)C=CC=C1 9516 [0,2,0,0,0,0|0,0,0]=2 582 B8R1.5 CC1=C(N)C=CN=C1 1119 [0,2,0,0,0,0|1,0,0]=3 583 B8R1.5 CC1=C(N)C=NC=C1 1278 [0,2,0,0,0,0|1,0,0]=3 584 B8R1.5 CC1=C(O)C=NC=C1 15184 [0,2,0,0,0,0|1,0,0]=3 585 B8R1.5 CC1=C(O)N=NC=C1 19780 [0,2,0,0,0,0|2,0,0]=4 586 B8R1.5 CC1=C(S)C=CC=C1 6806 [0,2,0,0,0,0|0,0,0]=2 587 B8R1.5 CC1=CC=CC=C1N 20202 [0,2,0,0,0,0|0,0,0]=2 588 B8R1.5 CC1=CC=CC=C1O 15714 [0,2,0,0,0,0|0,0,0]=2 589 B8R1.5 CC1=CC=CN=C1Br 9208 [0,2,0,0,0,0|1,0,0]=3 590 B8R1.5 CC1=CC=CN=C1C 20520 [0,2,0,0,0,0|1,0,0]=3 591 B8R1.5 CC1=CC=CN=C1Cl 2074 [0,2,0,0,0,0|1,0,0]=3 592 B8R1.5 CC1=CC=CN=C1F 3992 [0,2,0,0,0,0|1,0,0]=3 593 B8R1.5 CC1=CC=CN=C1I 14399 [0,2,0,0,0,0|1,0,0]=3 594 B8R1.5 CC1=CC=CN=C1N 1217 [0,2,0,0,0,0|1,0,0]=3 595 B8R1.5 CC1=CC=CN=C1O 14401 [0,2,0,0,0,0|1,0,0]=3 596 B8R1.5 CC1=CC=CN=C1O 8871 [0,2,0,0,0,0|1,0,0]=3 597 B8R1.5 CC1=CN=CN=C1Cl 21457 [0,2,0,0,0,0|2,0,0]=4 598 B8R1.5 CC1=NC=CC=C1Br 1220 [0,2,0,0,0,0|1,0,0]=3 599 B8R1.5 CC1=NC=CC=C1Cl 14380 [0,2,0,0,0,0|1,0,0]=3 600 B8R1.5 CC1=NC=CC=C1F 14381 [0,2,0,0,0,0|1,0,0]=3 601 B8R1.5 CC1=NC=CC=C1I 14400 [0,2,0,0,0,0|1,0,0]=3 602 B8R1.5 CC1=NC=CC=C1N 2076 [0,2,0,0,0,0|1,0,0]=3 603 B8R1.5 CC1=NC=CC=C1O 6626 [0,2,0,0,0,0|1,0,0]=3 604 B8R1.5 CC1=NC=CN=C1Br 18035 [0,2,0,0,0,0|2,0,0]=4 605 B8R1.5 CC1=NC=CN=C1C 8607 [0,2,0,0,0,0|2,0,0]=4 606 B8R1.5 CC1=NC=CN=C1Cl 2149 [0,2,0,0,0,0|2,0,0]=4 607 B8R1.5 CC1=NC=CN=C1N 19617 [0,2,0,0,0,0|2,0,0]=4 608 B8R1.5 CC1=NC=CN=C1O 34244 [0,2,0,0,0,0|2,0,0]=4 609 B8R1.5 CC1=NC=NC=C1Br 17240 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.5 CC1=NC=NC=C1Cl 16949 [0,2,0,0,0,0|2,0,0]=4 611 B8R1.5 CC1=NC=NC=C1N 19924 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.5 CC1=[N+]([O-])C=CC=C1 14342 [0,2,0,0,0,0|1,0,0]=3 613 B8R1.5 CN1C=CC=CC1=O 25381 [0,2,0,0,0,0|1,0,0]=3 614 B8R1.5 C[N+]1=C(Cl)C=CC=C1 16659 [0,2,0,0,0,0|1,0,0]=3 615 B8R1.5 ClC1=C(Br)C=CC=C1 3582 [0,2,0,0,0,0|0,0,0]=2 616 B8R1.5 ClC1=C(Br)C=CN=C1 1288 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.5 ClC1=C(Br)C=NC=C1 1287 [0,2,0,0,0,0|1,0,0]=3 618 B8R1.5 ClC1=C(Br)C=NC=C1 27014 [0,2,0,0,0,0|1,0,0]=3 619 B8R1.5 ClC1=C(Cl)C=CC=C1 16667 [0,2,0,0,0,0|0,0,0]=2 620 B8R1.5 ClC1=C(Cl)C=NC=C1 6613 [0,2,0,0,0,0|1,0,0]=3 621 B8R1.5 ClC1=C(Cl)C=NC=C1 9823 [0,2,0,0,0,0|1,0,0]=3 622 B8R1.5 ClC1=C(I)C=CC=C1 3646 [0,2,0,0,0,0|0,0,0]=2 623 B8R1.5 ClC1=C(I)C=CN=C1 9822 [0,2,0,0,0,0|1,0,0]=3 624 B8R1.5 ClC1=C(I)C=NC=C1 8083 [0,2,0,0,0,0|1,0,0]=3 625 B8R1.5 ClC1=CC=CN=C1Br 5776 [0,2,0,0,0,0|1,0,0]=3 626 B8R1.5 ClC1=CC=CN=C1Cl 1198 [0,2,0,0,0,0|1,0,0]=3 627 B8R1.5 ClC1=CN=CN=C1Cl 12434 [0,2,0,0,0,0|2,0,0]=4 628 B8R1.5 ClC1=CN=NC=C1Cl 19556 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.5 ClC1=NC=CC=C1Br 1098 [0,2,0,0,0,0|1,0,0]=3 630 B8R1.5 ClC1=NC=CC=C1I 1188 [0,2,0,0,0,0|1,0,0]=3 631 B8R1.5 ClC1=NC=CN=C1Cl 8547 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.5 ClC1=NC=NC=C1Br 35503 [0,2,0,0,0,0|2,0,0]=4 633 B8R1.5 ClC1=NC=NC=C1I 7344 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.5 FC1=C(Br)C=CC=C1 3215 [0,2,0,0,0,0|0,0,0]=2 635 B8R1.5 FC1=C(Br)C=CN=C1 18130 [0,2,0,0,0,0|1,0,0]=3 636 B8R1.5 FC1=C(Br)C=CN=C1 6660 [0,2,0,0,0,0|1,0,0]=3 637 B8R1.5 FC1=C(Br)C=NC=C1 3009 [0,2,0,0,0,0|1,0,0]=3 638 B8R1.5 FC1=C(Cl)C=CC=C1 3418 [0,2,0,0,0,0|0,0,0]=2 639 B8R1.5 FC1=C(Cl)C=CN=C1 6667 [0,2,0,0,0,0|1,0,0]=3 640 B8R1.5 FC1=C(Cl)C=CN=C1 6668 [0,2,0,0,0,0|1,0,0]=3 641 B8R1.5 FC1=C(Cl)C=NC=C1 6675 [0,2,0,0,0,0|1,0,0]=3 642 B8R1.5 FC1=C(F)C=CC=C1 2307 [0,2,0,0,0,0|0,0,0]=2 643 B8R1.5 FC1=C(F)C=NC=C1 16287 [0,2,0,0,0,0|1,0,0]=3 644 B8R1.5 FC1=C(I)C=CC=C1 3496 [0,2,0,0,0,0|0,0,0]=2 645 B8R1.5 FC1=C(I)C=CN=C1 9249 [0,2,0,0,0,0|1,0,0]=3 646 B8R1.5 FC1=C(S)C=CC=C1 5428 [0,2,0,0,0,0|0,0,0]=2 647 B8R1.5 FC1=CC=CN=C1Br 3002 [0,2,0,0,0,0|1,0,0]=3 648 B8R1.5 FC1=CC=CN=C1Cl 2532 [0,2,0,0,0,0|1,0,0]=3 649 B8R1.5 FC1=CC=CN=C1F 5414 [0,2,0,0,0,0|1,0,0]=3 650 B8R1.5 FC1=CC=CN=C1I 6569 [0,2,0,0,0,0|1,0,0]=3 651 B8R1.5 FC1=CN=CN=C1Cl 18607 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.5 FC1=NC=CC=C1Br 3008 [0,2,0,0,0,0|1,0,0]=3 653 B8R1.5 FC1=NC=CC=C1Cl 6263 [0,2,0,0,0,0|1,0,0]=3 654 B8R1.5 FC1=NC=CC=C1I 1231 [0,2,0,0,0,0|1,0,0]=3 655 B8R1.5 IC1=C(I)C=CC=C1 3831 [0,2,0,0,0,0|0,0,0]=2 656 B8R1.5 IC1=CC=CN=C1I 9245 [0,2,0,0,0,0|1,0,0]=3 657 B8R1.5 NC1=C(Br)C=CC=C1 3722 [0,2,0,0,0,0|0,0,0]=2 658 B8R1.5 NC1=C(Br)C=CN=C1 6658 [0,2,0,0,0,0|1,0,0]=3 659 B8R1.5 NC1=C(Br)C=NC=C1 1242 [0,2,0,0,0,0|1,0,0]=3 660 B8R1.5 NC1=C(Cl)C=CC=C1 19107 [0,2,0,0,0,0|0,0,0]=2 661 B8R1.5 NC1=C(Cl)C=CN=C1 6665 [0,2,0,0,0,0|1,0,0]=3 662 B8R1.5 NC1=C(Cl)C=NC=C1 6653 [0,2,0,0,0,0|1,0,0]=3 663 B8R1.5 NC1=C(F)C=CC=C1 15382 [0,2,0,0,0,0|0,0,0]=2 664 B8R1.5 NC1=C(F)C=CC=C1 5245 [0,2,0,0,0,0|0,0,0]=2 665 B8R1.5 NC1=C(F)C=NC=C1 1261 [0,2,0,0,0,0|1,0,0]=3 666 B8R1.5 NC1=C(F)C=NC=C1 26667 [0,2,0,0,0,0|1,0,0]=3 667 B8R1.5 NC1=C(I)C=CC=C1 10573 [0,2,0,0,0,0|0,0,0]=2 668 B8R1.5 NC1=C(I)C=CN=C1 6681 [0,2,0,0,0,0|1,0,0]=3 669 B8R1.5 NC1=C(I)C=NC=C1 6632 [0,2,0,0,0,0|1,0,0]=3 670 B8R1.5 NC1=C(N)C=CC=C1 32376 [0,2,0,0,0,0|0,0,0]=2 671 B8R1.5 NC1=C(N)C=NC=C1 1295 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.5 NC1=C(O)C=CN=C1 6679 [0,2,0,0,0,0|1,0,0]=3 673 B8R1.5 NC1=C(O)C=NC=C1 6654 [0,2,0,0,0,0|1,0,0]=3 674 B8R1.5 NC1=C(S)C=CC=C1 5424 [0,2,0,0,0,0|0,0,0]=2 675 B8R1.5 NC1=CC=CN=C1Br 5766 [0,2,0,0,0,0|1,0,0]=3 676 B8R1.5 NC1=CC=CN=C1Cl 1096 [0,2,0,0,0,0|1,0,0]=3 677 B8R1.5 NC1=CC=CN=C1F 1259 [0,2,0,0,0,0|1,0,0]=3 678 B8R1.5 NC1=CC=CN=C1I 9292 [0,2,0,0,0,0|1,0,0]=3 679 B8R1.5 NC1=CC=CN=C1N 1296 [0,2,0,0,0,0|1,0,0]=3 680 B8R1.5 NC1=CC=CN=C1N 5394 [0,2,0,0,0,0|1,0,0]=3 681 B8R1.5 NC1=CC=CN=C1O 1263 [0,2,0,0,0,0|1,0,0]=3 682 B8R1.5 NC1=CN=CN=C1Br 34253 [0,2,0,0,0,0|2,0,0]=4 683 B8R1.5 NC1=CN=CN=C1N 44977 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.5 NC1=CN=CN=C1N 7057 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.5 NC1=NC=CC=C1Br 1241 [0,2,0,0,0,0|1,0,0]=3 686 B8R1.5 NC1=NC=CC=C1Cl 5562 [0,2,0,0,0,0|1,0,0]=3 687 B8R1.5 NC1=NC=CC=C1F 2976 [0,2,0,0,0,0|1,0,0]=3 688 B8R1.5 NC1=NC=CC=C1I 1265 [0,2,0,0,0,0|1,0,0]=3 689 B8R1.5 NC1=NC=CC=C1O 2574 [0,2,0,0,0,0|1,0,0]=3 690 B8R1.5 NC1=NC=CC=C1S 16432 [0,2,0,0,0,0|1,0,0]=3 691 B8R1.5 NC1=NC=CN=C1Br 27947 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.5 NC1=NC=CN=C1Cl 16808 [0,2,0,0,0,0|2,0,0]=4 693 B8R1.5 NC1=NC=CN=C1Cl 2044 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.5 NC1=NC=CN=C1N 32139 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.5 NC1=NC=CN=C1O 27948 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.5 NC1=NC=NC=C1Br 14978 [0,2,0,0,0,0|2,0,0]=4 697 B8R1.5 Nc1ccccc1N 23346 [0,2,0,0,0,0|0,0,0]=2 698 B8R1.5 O=C1C=COC=C1O 25209 [0,2,0,0,0,0|1,0,0]=3 699 B8R1.5 OC1=C(Br)C=CC=C1 3841 [0,2,0,0,0,0|0,0,0]=2 700 B8R1.5 OC1=C(Br)C=CN=C1 6661 [0,2,0,0,0,0|1,0,0]=3 701 B8R1.5 OC1=C(Br)C=NC=C1 6678 [0,2,0,0,0,0|1,0,0]=3 702 B8R1.5 OC1=C(Cl)C=CC=C1 12600 [0,2,0,0,0,0|0,0,0]=2 703 B8R1.5 OC1=C(Cl)C=CN=C1 6669 [0,2,0,0,0,0|1,0,0]=3 704 B8R1.5 OC1=C(Cl)C=NC=C1 6680 [0,2,0,0,0,0|1,0,0]=3 705 B8R1.5 OC1=C(F)C=CC=C1 2313 [0,2,0,0,0,0|0,0,0]=2 706 B8R1.5 OC1=C(I)C=CC=C1 3963 [0,2,0,0,0,0|0,0,0]=2 707 B8R1.5 OC1=C(S)C=CC=C1 6827 [0,2,0,0,0,0|0,0,0]=2 708 B8R1.5 OC1=CC=CN=C1Br 2572 [0,2,0,0,0,0|1,0,0]=3 709 B8R1.5 OC1=CC=CN=C1Cl 2577 [0,2,0,0,0,0|1,0,0]=3 710 B8R1.5 OC1=CC=CN=C1F 6290 [0,2,0,0,0,0|1,0,0]=3 711 B8R1.5 OC1=CC=CN=C1I 6571 [0,2,0,0,0,0|1,0,0]=3 712 B8R1.5 OC1=CC=CN=C1O 2580 [0,2,0,0,0,0|1,0,0]=3 713 B8R1.5 OC1=NC=CC=C1Br 1177 [0,2,0,0,0,0|1,0,0]=3 714 B8R1.5 OC1=NC=CC=C1Cl 6538 [0,2,0,0,0,0|1,0,0]=3 715 B8R1.5 OC1=NC=CC=C1F 1200 [0,2,0,0,0,0|1,0,0]=3 716 B8R1.5 OC1=NC=CC=C1I 6701 [0,2,0,0,0,0|1,0,0]=3 717 B8R1.5 OC1=NC=NC=C1Br 24352 [0,2,0,0,0,0|2,0,0]=4 718 B8R1.5 OC1=NC=NC=C1F 7191 [0,2,0,0,0,0|2,0,0]=4 719 B8R1.5 SC1=C(Br)C=CC=C1 4009 [0,2,0,0,0,0|0,0,0]=2 720 B8R1.5 SC1=C(Cl)C=CC=C1 6776 [0,2,0,0,0,0|0,0,0]=2 721 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 13510 [0,2,0,0,0,0|1,0,0]=3 722 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 1196 [0,2,0,0,0,0|1,0,0]=3 723 B8R1.5 [O-][N+]1=CC=CC=C1O 26927 [0,2,0,0,0,0|1,0,0]=3 724 B8R1.72 NC1(Br)C=CC=CN1 28918 [0,2,0,0,0,0|1,0,1]=4 725 B8R1.49 C1=CCCC=CCC1 16018 [0,0,0,0,0,2|0,0,2]=4 726 B8R1.49 C1=CCCC=CCC1 16019 [0,0,0,0,0,2|0,0,2]=4 727 B8R1.49 C1=CCCC=CCC1 24863 [0,0,0,0,0,2|0,0,2]=4 728 B8R1.49 C1=CCCC=CCC1 35299 [0,0,0,0,0,2|0,0,2]=4 729 B8R1.49 C1=CCCC=CCC1 36028 [0,0,0,0,0,2|0,0,2]=4