0 B6R1.2 BrC1=CC=NS1 7852AB [0,0,0,0,0,0|2,1,0]=3 1 B6R1.2 BrC1=NC=NS1 Z4751 [0,0,0,0,0,0|3,1,0]=4 2 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,0,0,0|1,0,2]=3 3 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,0,0,0|0,0,2]=2 4 B6R1.2 CC1=CNN=N1 W5081 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 CC1=CON=C1 9884AB [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 CC1=CSN=N1 Y8051 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 CC1=NNCC1 6440AD [0,0,0,0,0,0|2,0,2]=4 8 B6R1.2 CC1=NOC=C1 Z4582 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 CC1=NON=C1 W4957 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 CC1COCO1 6593AL [0,0,0,0,0,0|1,0,3]=4 11 B6R1.2 CC1OCCO1 7260AF [0,0,0,0,0,0|1,0,3]=4 12 B6R1.2 CN1C=NN=N1 X6249 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,0,0,0|2,0,2]=4 14 B6R1.2 ClC1=NC=CS1 W5278 [0,0,0,0,0,0|2,1,0]=3 15 B6R1.2 IC1=CC=NN1 Z6311 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 IC1=NC=CS1 X7912 [0,0,0,0,0,0|2,1,0]=3 17 B6R1.2 IC1=NN=CS1 Z7518 [0,0,0,0,0,0|3,1,0]=4 18 B6R1.2 NC1=CN=CN1 5028AA [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 NC1=CNC=N1 B191 [0,0,0,0,0,0|3,0,0]=3 20 B6R1.2 NC1=CSN=C1 W7611 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 NC1=NCCO1 5489AL [0,0,0,0,0,0|2,0,2]=4 22 B6R1.2 NN1C=CC=N1 5269AB [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,0,0,0|2,0,1]=3 24 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,0,0,0|1,1,1]=3 25 B6R1.2 OC1=CSC=C1 8873AA [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 S=C1NCCO1 1519AL [0,0,0,0,0,0|2,0,2]=4 27 B5R1.1 C1=CSN=C1 Z4550 [1,0,0,0,0,0|1,1,0]=3 28 B5R1.1 C1=NN=CO1 2890AB [1,0,0,0,0,0|2,0,0]=3 29 B7R1.1 BrCC1=CN=CS1 Y7777 [0,1,0,0,0,0|1,1,0]=3 30 B7R1.1 BrCC1=COC=N1 1429AA [0,1,0,0,0,0|2,0,0]=3 31 B7R1.1 BrCC1=NC=CN1 1423AC [0,1,0,0,0,0|2,0,0]=3 32 B7R1.1 CCC1=CC=NO1 3273AB [0,1,0,0,0,0|1,0,0]=2 33 B7R1.1 CCC1=CNC=N1 6226AL [0,1,0,0,0,0|2,0,0]=3 34 B7R1.1 CCC1=CNN=C1 5501AD [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 CCC1=NN=CO1 5828AA [0,1,0,0,0,0|2,0,0]=3 36 B7R1.1 CCC1=NNC=C1 6654AA [0,1,0,0,0,0|2,0,0]=3 37 B7R1.1 CNC1=NC=CO1 6947AC [0,1,0,0,0,0|1,0,0]=2 38 B7R1.1 COC1=CC=CO1 2109AL [0,1,0,0,0,0|0,0,0]=1 39 B7R1.1 CSC1=CNC=N1 X6327 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 CSC1=NC=CO1 6777AD [0,1,0,0,0,0|1,0,0]=2 41 B7R1.1 ClCC1=CN=CO1 8892AA [0,1,0,0,0,0|1,0,0]=2 42 B7R1.1 ClCC1=COC=N1 0393AC [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 ClCC1=NC=CS1 1126AC [0,1,0,0,0,0|1,1,0]=3 44 B7R1.1 ClCC1=NC=CS1 W5535 [0,1,0,0,0,0|1,1,0]=3 45 B7R1.1 ClCC1=NN=CO1 1392AC [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 N#CC1=CN=CO1 X3473 [0,1,0,0,0,0|1,0,1]=3 47 B7R1.1 N#CC1=COC=C1 0818AQ [0,1,0,0,0,0|2,0,1]=4 48 B7R1.1 N#CC1=CSC=N1 W3169 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.1 N#CC1=NC=CO1 0624AC [0,1,0,0,0,0|1,0,1]=3 50 B7R1.1 NCC1=CC=CN1 W7617 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.1 NCC1=CC=NN1 4193AH [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 NCC1=CNN=N1 0294AA [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 NCC1=CNN=N1 9846AH [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 NCC1=COC=C1 Y7389 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 NCC1=COC=C1 Y9148 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.1 NCC1=COC=N1 Y1477 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 NCC1=CON=C1 3103AA [0,1,0,0,0,0|3,0,0]=4 58 B7R1.1 NCC1=CON=C1 8976AA [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 NCC1=CSC=C1 Z3907 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.1 NCC1=CSC=N1 0159AD [0,1,0,0,0,0|2,0,0]=3 61 B7R1.1 NCC1=NC=CN1 1371AB [0,1,0,0,0,0|2,0,0]=3 62 B7R1.1 NCC1=NC=CO1 0960AA [0,1,0,0,0,0|1,0,0]=2 63 B7R1.1 NCC1=NC=NN1 1729AJ [0,1,0,0,0,0|3,0,0]=4 64 B7R1.1 NCC1=NC=NN1 8323AH [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 NCC1=NOC=N1 1799AE [0,1,0,0,0,0|3,0,0]=4 66 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,1,0,0,0,0|0,1,1]=3 67 B7R1.1 O=CC1=NC=CO1 7478AE [0,1,0,0,0,0|1,0,1]=3 68 B7R1.1 OCC1=CC=NO1 6850AC [0,1,0,0,0,0|1,0,0]=2 69 B7R1.1 OCC1=NNC=C1 X6393 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 OCN1C=CN=C1 9540AF [0,1,0,0,0,0|3,0,0]=4 71 B7R1.2 BrC1=CC=C(Br)[Se]1 5359AL [0,1,0,0,0,0|1,1,0]=3 72 B7R1.2 BrC1=NC=C(I)S1 X8877 [0,1,0,0,0,0|2,1,0]=4 73 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,1,0,0,0,0|0,1,0]=2 74 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,1,0,0,0,0|0,1,0]=2 75 B7R1.2 CC1=CN=C(N)N1 0439AC [0,1,0,0,0,0|2,0,0]=3 76 B7R1.2 CC1=CN=C(N)N1 3105AA [0,1,0,0,0,0|2,0,0]=3 77 B7R1.2 CC1=CN=C(N)N1 X7979 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.2 CC1=COC(C)=N1 5323AL [0,1,0,0,0,0|1,0,0]=2 79 B7R1.2 CC1=CSC(N)=C1 5740AC [0,1,0,0,0,0|1,1,0]=3 80 B7R1.2 CC1=NC(Br)=CN1 W3545 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.2 CC1=NC(Br)=NN1 8783AD [0,1,0,0,0,0|3,0,0]=4 82 B7R1.2 CC1=NC(Cl)=NN1 4748AD [0,1,0,0,0,0|3,0,0]=4 83 B7R1.2 CC1=NC(N)=CS1 7776AC [0,1,0,0,0,0|1,1,0]=3 84 B7R1.2 CC1=NC=C(N)S1 Z5289 [0,1,0,0,0,0|1,1,0]=3 85 B7R1.2 CC1=NN(C)N=C1 8968AB [0,1,0,0,0,0|3,0,0]=4 86 B7R1.2 CC1=NN=C(C)O1 Z4081 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.2 CC1=NNC(Br)=C1 Z4899 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,0,0,0|2,0,1]=4 89 B7R1.2 CC1=NOC(N)=N1 1713AE [0,1,0,0,0,0|3,0,0]=4 90 B7R1.2 CC1=NSC(Br)=N1 7937AB [0,1,0,0,0,0|3,0,0]=4 91 B7R1.2 CC1=NSC(N)=C1 1797AB [0,1,0,0,0,0|2,0,0]=3 92 B7R1.2 CC1=NSC(N)=N1 3695AA [0,1,0,0,0,0|3,0,0]=4 93 B7R1.2 CC1CNC(=O)O1 8398AC [0,1,0,0,0,0|1,0,2]=4 94 B7R1.2 CN1C=C(N)N=N1 0396AC [0,1,0,0,0,0|3,0,0]=4 95 B7R1.2 CN1C=CC(Cl)=N1 9664AB [0,1,0,0,0,0|2,0,0]=3 96 B7R1.2 CN1C=CC(N)=N1 0807AQ [0,1,0,0,0,0|2,0,0]=3 97 B7R1.2 CN1C=NC(Cl)=N1 5746AE [0,1,0,0,0,0|3,0,0]=4 98 B7R1.2 CN1C=NC(I)=C1 V8393 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.2 CN1C=NC(N)=C1 W8501 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.2 CN1C=NC(N)=N1 6721AB [0,1,0,0,0,0|3,0,0]=4 101 B7R1.2 ClC1=CC(Br)=CS1 3619AB [0,1,0,0,0,0|1,1,0]=3 102 B7R1.2 ClC1=NC(Br)=CS1 V9244 [0,1,0,0,0,0|2,1,0]=4 103 B7R1.2 FC1=CSC(Br)=C1 5520AL [0,1,0,0,0,0|1,1,0]=3 104 B7R1.2 IC1=CNC(I)=N1 6473AD [0,1,0,0,0,0|3,0,0]=4 105 B7R1.2 IC1=COC(I)=N1 0733AQ [0,1,0,0,0,0|2,0,0]=3 106 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,0,0,0|2,0,1]=4 107 B7R1.2 NC1=CC(N)=NN1 8122AA [0,1,0,0,0,0|3,0,0]=4 108 B7R1.2 NC1=CN=C(Br)S1 Y1249 [0,1,0,0,0,0|2,1,0]=4 109 B7R1.2 NC1=CSC(Br)=N1 W6192 [0,1,0,0,0,0|2,1,0]=4 110 B7R1.2 NC1=NC(=O)CO1 9344AA [0,1,0,0,0,0|2,0,1]=4 111 B7R1.2 NN1C=C(Br)C=N1 4268AA [0,1,0,0,0,0|3,0,0]=4 112 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,0,0,0|2,0,1]=4 113 B7R1.2 OC1=NSC(Cl)=C1 Z4502 [0,1,0,0,0,0|2,1,0]=4 114 B7R1.4 BrC1=CSC=C1I 1469AC [0,1,0,0,0,0|3,0,0]=4 115 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,1,0,0,0,0|0,0,0]=1 116 B7R1.4 CC1=C(C)OC=N1 X5138 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.4 CC1=C(Cl)SN=N1 5149AE [0,1,0,0,0,0|3,0,0]=4 118 B7R1.4 CC1=C(N)ON=C1 4334AB [0,1,0,0,0,0|2,0,0]=3 119 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,0,0,0|1,0,1]=3 120 B7R1.4 CC1=CNC=C1C 2295AL [0,1,0,0,0,0|2,0,0]=3 121 B7R1.4 CC1=CNN=C1N 9912AB [0,1,0,0,0,0|3,0,0]=4 122 B7R1.4 CC1=NN=CN1N 8795AD [0,1,0,0,0,0|3,0,0]=4 123 B7R1.4 CC1=NOC=C1N 4428AB [0,1,0,0,0,0|2,0,0]=3 124 B7R1.4 CN1C=CN=C1N Z5007 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.4 CN1C=NC=C1N Y1665 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.4 CN1N=CN=C1Cl 5751AE [0,1,0,0,0,0|3,0,0]=4 127 B7R1.4 CN1N=NC=C1N 4755AF [0,1,0,0,0,0|3,0,0]=4 128 B7R1.4 CN1SC=CC1=O P432 [0,1,0,0,0,0|1,1,0]=3 129 B7R1.4 IC1=CNN=C1I 0212AC [0,1,0,0,0,0|3,0,0]=4 130 B7R1.4 NC1=NNC=C1Cl 7818AB [0,1,0,0,0,0|3,0,0]=4 131 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,0,0,0|2,0,1]=4 132 B5R0.1 C=C(C)CON 4430AJ [0,0,1,0,0,0|3,0,0]=4 133 B5R0.1 C=CCC(=C)C 5694AL [0,0,1,0,0,0|1,0,0]=2 134 B5R0.1 C=CCC(C)C 6595AL [0,0,1,0,0,0|1,0,2]=4 135 B5R0.1 C=CCC(C)O 7318AF [0,0,1,0,0,0|0,0,2]=3 136 B5R0.1 C=CCC(N)=O Y1568 [0,0,1,0,0,0|1,0,2]=4 137 B5R0.1 C=COC(C)C 3476AL [0,0,1,0,0,0|0,0,2]=3 138 B5R0.1 CC(C)=CCCl 7671AJ [0,0,1,0,0,0|2,0,1]=4 139 B5R0.1 CCC=C(C)C 7499AF [0,0,1,0,0,0|1,0,2]=4 140 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,1,0,0,0|2,0,1]=4 141 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,1,0,0,0|2,0,1]=4 142 B5R0.1 C\C=C\B(O)O X4905 [0,0,1,0,0,0|2,0,1]=4 143 B5R0.1 C\C=C\C(C)C 7501AF [0,0,1,0,0,0|1,0,2]=4 144 B5R0.1 C\C=C\C(N)=O 7909AD [0,0,1,0,0,0|1,0,2]=4 145 B5R0.1 O=C(O)\C=C/Br V3608 [0,0,1,0,0,0|2,0,0]=3 146 B5R0.1 O=C(O)\C=C/I 9333AB [0,0,1,0,0,0|2,0,0]=3 147 B5R0.1 O=C(O)\C=C\I V7047 [0,0,1,0,0,0|2,0,0]=3 148 B5R0.2 C=CCOCC 5601AE [0,0,1,0,0,0|0,0,2]=3 149 B5R0.2 C=CCSSC 7031AL [0,0,1,0,0,0|1,1,1]=4 150 B5R0.2 C=CC\C=C/C 0307AQ [0,0,1,0,0,0|1,0,1]=3 151 B5R0.2 CCC\C=N\O 7272AF [0,0,1,0,0,0|1,0,2]=4 152 B5R0.2 CC\C=C\C#N 5776AL [0,0,1,0,0,0|1,0,2]=4 153 B5R0.3 C\C(C=O)=C/N 3293AB [0,0,1,0,0,0|3,0,0]=4 154 B5R0.3 C\C=C(/C)CC 0241AQ [0,0,1,0,0,0|1,0,2]=4 155 B5R0.3 C\C=C(/C)CC 9220AL [0,0,1,0,0,0|1,0,2]=4 156 B5R0.3 C\C=C(\C)CC 7440AL [0,0,1,0,0,0|1,0,2]=4 157 B7R1.3 CC1=CC=CN=N1 X0232 [0,0,0,0,0,1|1,0,0]=2 158 B7R1.3 CC1=CCC=CC1 7751AF [0,0,0,0,0,1|1,0,0]=2 159 B7R1.3 CC1C=CCCC1 6090AL [0,0,0,0,0,1|1,0,2]=4 160 B7R1.3 C[N+]1=CC=CC=C1 1581AB [0,0,0,0,0,1|2,0,0]=3 161 B7R1.3 ClC1=NN=CC=C1 X0225 [0,0,0,0,0,1|2,0,0]=3 162 B7R1.3 FC1=CN=CN=C1 W7798 [0,0,0,0,0,1|3,0,0]=4 163 B7R1.3 F[N+]1=CC=CC=C1 4861AL [0,0,0,0,0,1|3,0,0]=4 164 B7R1.3 O=C1C=CCCN1 9030AB [0,0,0,0,0,1|2,0,1]=4 165 B7R1.3 O=C1C=CCOC1 6867AC [0,0,0,0,0,1|1,0,1]=3 166 B7R1.3 SC1=NC=CN=C1 2178AE [0,0,0,0,0,1|2,0,0]=3 167 B7R1.3 [O-][N+]1=CC=NC=C1 1770AB [0,0,0,0,0,1|3,0,0]=4 168 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [0,0,0,0,0,1|2,0,0]=3 169 B4R0.1 C=C=C(C)C 6086AL [1,0,1,0,0,0|0,0,2]=4 170 B4R0.1 C=CC(C)C 7308AF [1,0,1,0,0,0|0,0,2]=4 171 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,1,0,0,0|1,0,1]=4 172 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,1,0,0,0|1,0,1]=4 173 B4R0.2 C=C=CCO 0432AQ [1,0,1,0,0,0|0,0,2]=4 174 B4R0.2 CCC=NO 0148AQ [1,0,1,0,0,0|1,0,1]=4 175 B4R0.2 C\C=C/CC 7428AL [1,0,1,0,0,0|0,0,2]=4 176 B4R0.2 N\C=C/C=O 4699AJ [1,0,1,0,0,0|1,0,1]=4 177 B6R0.1 CC(\C=N\O)=N/O P687 [0,1,1,0,0,0|2,0,0]=4 178 B6R0.1 COC(=O)\C=C/Br 6846AE [0,1,1,0,0,0|1,0,1]=4 179 B6R0.1 COC(=O)\C=C/I 6847AE [0,1,1,0,0,0|1,0,1]=4 180 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,1,0,0,0|1,0,1]=4 181 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,1,0,0,0|0,0,2]=4 182 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,1,0,0,0|1,0,1]=4 183 B6R0.4 C=CCCC(=C)C 5696AL [0,1,1,0,0,0|1,0,0]=3 184 B6R0.4 C=CCOC(N)=O 0515AQ [0,1,1,0,0,0|2,0,0]=4 185 B6R0.4 CC\C=C\C(=O)O 6805AA [0,1,1,0,0,0|1,0,1]=4 186 B6R0.5 C=COC(C)(C)C 9102AJ [0,1,1,0,0,0|0,0,2]=4 187 B6R0.6 C=CCC\C=C\C 4658AL [0,1,1,0,0,0|1,0,1]=4 188 B6R0.6 C=CCOCC=C 7030AL [0,1,1,0,0,0|0,0,2]=4 189 B6R0.6 CC=C=CCCO 1076AQ [0,1,1,0,0,0|0,0,2]=4 190 B6R0.6 CCC\C=C/CO 7423AL [0,1,1,0,0,0|0,0,2]=4 191 B6R0.8 C=C[Si](C)(C)C=C 1189AA [0,1,1,0,0,0|1,1,0]=4 192 B8R1.2 BrCC1=CC=NC=C1 V2331 [0,1,0,0,0,1|1,0,0]=3 193 B8R1.2 BrCC1=NC=NC=C1 6571AA [0,1,0,0,0,1|1,0,0]=3 194 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [0,1,0,0,0,1|2,0,0]=4 195 B8R1.2 C=CC1=NC=CN=C1 R581 [0,1,0,0,0,1|1,0,1]=4 196 B8R1.2 CC[N+]1=CC=CC=C1 E438 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.2 CNC1=CN=CN=C1 5460AB [0,1,0,0,0,1|2,0,0]=4 198 B8R1.2 COC1=CC=NN=C1 Z5489 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,1,0,0,0,1|1,0,0]=3 200 B8R1.2 FCC1=CC=NC=C1 2557AL [0,1,0,0,0,1|1,0,0]=3 201 B8R1.2 ICC1=CN=CC=C1 5715AJ [0,1,0,0,0,1|1,0,0]=3 202 B8R1.2 N#CC1=CC=NC=N1 W6240 [0,1,0,0,0,1|1,0,1]=4 203 B8R1.2 NCC1=CC=CC=C1 7149AL [0,1,0,0,0,1|1,0,0]=3 204 B8R1.2 NCC1=CC=NC=N1 Y7101 [0,1,0,0,0,1|1,0,0]=3 205 B8R1.2 NCC1=CC=NN=C1 X9904 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.2 NCC1=CN=NC=C1 0175AP [0,1,0,0,0,1|2,0,0]=4 207 B8R1.2 NNC1=CC=NC=C1 0864AQ [0,1,0,0,0,1|2,0,0]=4 208 B8R1.2 NNC1=NN=CC=C1 5599AB [0,1,0,0,0,1|2,0,0]=4 209 B8R1.2 NOC1=CC=CC=C1 X4801 [0,1,0,0,0,1|2,0,0]=4 210 B8R1.2 O=CC1=NC=CC=N1 Y3220 [0,1,0,0,0,1|1,0,1]=4 211 B8R1.2 O=[As]C1=CC=CC=C1 7620AF [0,1,0,0,0,1|2,0,0]=4 212 B8R1.2 ONC1=CC=CC=C1 0019AQ [0,1,0,0,0,1|2,0,0]=4 213 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,1,0,0,0,1|1,0,0]=3 214 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [0,1,0,0,0,1|1,0,0]=3 215 B8R1.3 CC1=CN=C(C)N=C1 1431AB [0,1,0,0,0,1|1,0,0]=3 216 B8R1.3 CC1=CN=C(I)C=C1 5573AJ [0,1,0,0,0,1|1,0,0]=3 217 B8R1.3 CC1=NC=C(F)C=N1 7849AB [0,1,0,0,0,1|1,0,0]=3 218 B8R1.3 FC1=NC=C(I)C=N1 0786AC [0,1,0,0,0,1|2,0,0]=4 219 B8R1.3 NC1=CN=C(N)C=C1 X9372 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.3 NC1=CN=C(N)C=N1 1979AC [0,1,0,0,0,1|2,0,0]=4 221 B8R1.3 NC1=CN=C(O)C=C1 X9224 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.3 NC1=NC=C(O)C=C1 X4178 [0,1,0,0,0,1|2,0,0]=4 223 B8R1.3 NC1=NNC(=O)C=C1 0249AA [0,1,0,0,0,1|2,0,0]=4 224 B8R1.3 O=C1C=CC(Br)=NN1 X3918 [0,1,0,0,0,1|2,0,0]=4 225 B8R1.3 S=C1N=CC(Cl)=CN1 0391AQ [0,1,0,0,0,1|2,0,0]=4 226 B8R1.4 CC1=CC(=O)NC=C1 X3603 [0,1,0,0,0,1|1,0,0]=3 227 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.4 CC1=CC(N)=NN=C1 7108AA [0,1,0,0,0,1|2,0,0]=4 229 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [0,1,0,0,0,1|1,0,0]=3 230 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [0,1,0,0,0,1|1,0,0]=3 231 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [0,1,0,0,0,1|1,0,0]=3 232 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,1,0,0,0,1|2,0,0]=4 233 B8R1.4 ClC1=NC=CC(Br)=N1 V4511 [0,1,0,0,0,1|2,0,0]=4 234 B8R1.4 IC1=CC(I)=NC=N1 V4101 [0,1,0,0,0,1|2,0,0]=4 235 B8R1.4 IC1=CN=CC(I)=C1 7672AB [0,1,0,0,0,1|2,0,0]=4 236 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [0,1,0,0,0,1|2,0,0]=4 237 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.4 NC1=CC(I)=NC=N1 W6793 [0,1,0,0,0,1|2,0,0]=4 239 B8R1.4 NC1=CC(O)=CC=C1 I722 [0,1,0,0,0,1|2,0,0]=4 240 B8R1.4 NC1=CC(O)=CN=C1 X9269 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.4 NC1=CC=CC(N)=N1 7294AA [0,1,0,0,0,1|2,0,0]=4 242 B8R1.4 NC1=CC=CC(O)=C1 7262AB [0,1,0,0,0,1|2,0,0]=4 243 B8R1.4 NC1=CN=CC(N)=N1 W6186 [0,1,0,0,0,1|2,0,0]=4 244 B8R1.4 NC1=CN=CC(N)=N1 Z4125 [0,1,0,0,0,1|2,0,0]=4 245 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [0,1,0,0,0,1|2,0,0]=4 246 B8R1.4 NC1=NN=CC(Cl)=C1 Y1523 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.4 O=C1C=CN=C(Cl)N1 8163AB [0,1,0,0,0,1|2,0,0]=4 248 B8R1.4 OC1=CC(F)=NC=C1 W4593 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.4 OC1=CN=CC(I)=C1 7258AD [0,1,0,0,0,1|2,0,0]=4 250 B8R1.4 SC1=CC=CC(S)=C1 4506AL [0,1,0,0,0,1|2,0,0]=4 251 B8R1.5 CC1=C(Br)C=CN=C1 A900 [0,1,0,0,0,1|1,0,0]=3 252 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [0,1,0,0,0,1|1,0,0]=3 253 B8R1.5 CC1=C(F)C=CN=C1 2798AB [0,1,0,0,0,1|1,0,0]=3 254 B8R1.5 CC1=C(I)C=NC=N1 W9510 [0,1,0,0,0,1|1,0,0]=3 255 B8R1.5 CC1=C(N)N=CC=C1 3663AB [0,1,0,0,0,1|1,0,0]=3 256 B8R1.5 CC1=C(O)N=CN=C1 Z4298 [0,1,0,0,0,1|2,0,0]=4 257 B8R1.5 CC1=C(S)C=CC=C1 7880AF [0,1,0,0,0,1|1,0,0]=3 258 B8R1.5 CC1=CC=CC=C1O Z3651 [0,1,0,0,0,1|1,0,0]=3 259 B8R1.5 CC1=NN=CN=C1O 5164AD [0,1,0,0,0,1|2,0,0]=4 260 B8R1.5 ClC1=C(Cl)C=NC=C1 5074AD [0,1,0,0,0,1|2,0,0]=4 261 B8R1.5 FC1=C(Cl)C=NC=C1 V8604 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.5 FC1=NC=CN=C1F 4974AE [0,1,0,0,0,1|2,0,0]=4 263 B8R1.5 FC1=NC=CN=C1I 6988AD [0,1,0,0,0,1|2,0,0]=4 264 B8R1.5 IC1=C(I)N=CC=C1 0321AF [0,1,0,0,0,1|2,0,0]=4 265 B8R1.5 NC1=C(F)C=NC=N1 Y5108 [0,1,0,0,0,1|2,0,0]=4 266 B8R1.5 NC1=C(I)C=NC=N1 W9386 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.5 NC1=C(O)C=NC=C1 5564AH [0,1,0,0,0,1|2,0,0]=4 268 B8R1.5 NC1=CC=CC=C1N 7683AF [0,1,0,0,0,1|2,0,0]=4 269 B8R1.5 NC1=CC=CN=C1Br 1627AJ [0,1,0,0,0,1|2,0,0]=4 270 B8R1.5 NC1=CC=CN=C1F 1722AJ [0,1,0,0,0,1|2,0,0]=4 271 B8R1.5 NC1=CC=CNC1=S W5899 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.5 NC1=CC=NN=C1N 9138AB [0,1,0,0,0,1|2,0,0]=4 273 B8R1.5 NC1=CC=NNC1=O 8057AB [0,1,0,0,0,1|2,0,0]=4 274 B8R1.5 NC1=CN=CN=C1O 5791AH [0,1,0,0,0,1|2,0,0]=4 275 B8R1.5 NC1=[N+]([O-])C=CC=C1 6877AA [0,1,0,0,0,1|2,0,0]=4 276 B8R1.5 O=C1NC=NC=C1Br W9821 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.5 OC1=C(Cl)C=NC=N1 W6278 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.5 OC1=C(I)C=NC=N1 W6277 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.5 SC1=NC=CC=C1Br V7160 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.1 BrCC1=CC(Br)=NO1 4667AC [0,2,0,0,0,0|1,0,0]=3 281 B8R1.1 BrCC1=CSC(Br)=C1 Z2517 [0,2,0,0,0,0|1,1,0]=4 282 B8R1.1 C#CC1=CC=C(Cl)S1 6808AA [0,2,0,0,0,0|0,1,1]=4 283 B8R1.1 CC1=CC(C#N)=CS1 5746AB [0,2,0,0,0,0|0,1,0]=3 284 B8R1.1 CC1=CC(C#N)=NN1 W5930 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.1 CC1=CC(C#N)=NO1 V0794 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.1 CC1=CC(CBr)=NO1 Y7388 [0,2,0,0,0,0|1,0,0]=3 287 B8R1.1 CC1=CC(CN)=NO1 8858AH [0,2,0,0,0,0|1,0,0]=3 288 B8R1.1 CC1=CC=C(C#N)O1 4023AD [0,2,0,0,0,0|0,0,0]=2 289 B8R1.1 CC1=CC=C(C=O)N1 3298AA [0,2,0,0,0,0|1,0,0]=3 290 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,2,0,0,0,0|0,1,0]=3 291 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,2,0,0,0,0|0,1,0]=3 292 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,2,0,0,0,0|0,1,0]=3 293 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,2,0,0,0,0|2,0,0]=4 294 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,2,0,0,0,0|1,0,0]=3 295 B8R1.1 CC1=CSC(C#N)=C1 8938AE [0,2,0,0,0,0|0,1,1]=4 296 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,2,0,0,0,0|0,1,0]=3 297 B8R1.1 CC1=CSC(NN)=N1 7074AA [0,2,0,0,0,0|2,0,0]=4 298 B8R1.1 CC1=CSC(NN)=N1 8798AH [0,2,0,0,0,0|2,0,0]=4 299 B8R1.1 CC1=NC(CBr)=NO1 4500AF [0,2,0,0,0,0|2,0,0]=4 300 B8R1.1 CC1=NC(CCl)=CS1 2148AC [0,2,0,0,0,0|1,1,0]=4 301 B8R1.1 CC1=NC(CO)=NO1 8569AD [0,2,0,0,0,0|2,0,0]=4 302 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,2,0,0,0,0|1,1,0]=4 303 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,2,0,0,0,0|1,0,0]=3 304 B8R1.1 CC1=NN=C(CN)O1 8854AH [0,2,0,0,0,0|2,0,0]=4 305 B8R1.1 CC1=NOC(C#N)=C1 7530AE [0,2,0,0,0,0|1,0,1]=4 306 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [0,2,0,0,0,0|1,0,1]=4 307 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,2,0,0,0,0|1,0,0]=3 308 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,2,0,0,0,0|1,0,0]=3 309 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,2,0,0,0,0|1,0,0]=3 310 B8R1.1 CC1=NOC(CN)=N1 8442AD [0,2,0,0,0,0|2,0,0]=4 311 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,2,0,0,0,0|1,1,0]=4 312 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,2,0,0,0,0|2,0,0]=4 313 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.1 CCC1=NC(Br)=CS1 2688AJ [0,2,0,0,0,0|1,1,0]=4 315 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,2,0,0,0,0|1,1,0]=4 316 B8R1.1 CCC1=NN=C(O)O1 1883AE [0,2,0,0,0,0|2,0,0]=4 317 B8R1.1 CCC1=NOC(N)=C1 2151AC [0,2,0,0,0,0|2,0,0]=4 318 B8R1.1 CCN1C=C(Cl)C=N1 9799AC [0,2,0,0,0,0|2,0,0]=4 319 B8R1.1 CCN1C=C(I)C=N1 V3768 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,2,0,0,0,0|2,0,0]=4 321 B8R1.1 CCN1C=CC(C)=N1 9609AD [0,2,0,0,0,0|2,0,0]=4 322 B8R1.1 CCN1C=CC(I)=N1 X6246 [0,2,0,0,0,0|2,0,0]=4 323 B8R1.1 CN1C=C(CCl)C=N1 8978AE [0,2,0,0,0,0|2,0,0]=4 324 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,2,0,0,0,0|2,0,0]=4 325 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,2,0,0,0,0|2,0,0]=4 326 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,2,0,0,0,0|2,0,0]=4 328 B8R1.1 CNC1=NC(C)=CS1 V4374 [0,2,0,0,0,0|1,1,0]=4 329 B8R1.1 COC1=CC(N)=NN1 2004AA [0,2,0,0,0,0|2,0,0]=4 330 B8R1.1 COC1=NC=C(Br)S1 Y9132 [0,2,0,0,0,0|1,1,0]=4 331 B8R1.1 CSC1=CC(Br)=CS1 Z0932 [0,2,0,0,0,0|0,1,0]=3 332 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,2,0,0,0,0|0,1,0]=3 333 B8R1.1 CSC1=CN=C(N)S1 6948AC [0,2,0,0,0,0|1,1,0]=4 334 B8R1.1 CSC1=NC(Br)=CS1 Y8174 [0,2,0,0,0,0|1,1,0]=4 335 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,2,0,0,0,0|1,1,0]=4 336 B8R1.1 ClC1=NC(CBr)=CO1 Y5526 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.1 ClCC1=CC(Br)=CS1 8780AA [0,2,0,0,0,0|0,1,0]=3 338 B8R1.1 ClCC1=CSC(Br)=N1 7296AB [0,2,0,0,0,0|2,0,0]=4 339 B8R1.1 N#CC1=CC(Cl)=CS1 5194AC [0,2,0,0,0,0|0,1,1]=4 340 B8R1.1 N#CC1=CC(N)=CS1 1456AC [0,2,0,0,0,0|0,1,1]=4 341 B8R1.1 N#CC1=CC=C(F)S1 3613AB [0,2,0,0,0,0|0,1,1]=4 342 B8R1.1 N#CC1=CC=C(I)S1 6376AD [0,2,0,0,0,0|0,1,1]=4 343 B8R1.1 N#CC1=CC=C(I)S1 9875AA [0,2,0,0,0,0|0,1,1]=4 344 B8R1.1 N#CC1=CSC(Br)=C1 0108AP [0,2,0,0,0,0|1,1,0]=4 345 B8R1.1 N#CC1=CSC(Cl)=C1 2002AA [0,2,0,0,0,0|1,1,0]=4 346 B8R1.1 NCC1=CC(Br)=CS1 W6461 [0,2,0,0,0,0|0,1,0]=3 347 B8R1.1 NCC1=CC(Br)=NO1 W9337 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.1 NCC1=CC=C(Br)S1 9162AB [0,2,0,0,0,0|0,1,0]=3 349 B8R1.1 NCC1=CC=C(Cl)S1 5432AE [0,2,0,0,0,0|0,1,0]=3 350 B8R1.1 O=CC1=CC(Br)=NO1 W4557 [0,2,0,0,0,0|1,0,1]=4 351 B8R1.1 O=CC1=CC(Cl)=CS1 8472AB [0,2,0,0,0,0|0,1,1]=4 352 B8R1.1 OCC1=CC(Br)=CO1 8845AB [0,2,0,0,0,0|0,0,0]=2 353 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,2,0,0,0,0|0,0,0]=2 354 B8R1.1 OCC1=CC=C(F)S1 2754AC [0,2,0,0,0,0|0,1,0]=3 355 B8R1.1 OCC1=COC(Br)=N1 1802AA [0,2,0,0,0,0|2,0,0]=4 356 B8R1.1 OCC1=COC(Cl)=N1 Y5525 [0,2,0,0,0,0|2,0,0]=4 357 B8R1.1 OCC1=CSC(Cl)=C1 1477AC [0,2,0,0,0,0|1,1,0]=4 358 B8R1.1 OCC1=CSC(Cl)=N1 7297AB [0,2,0,0,0,0|2,0,0]=4 359 B8R1.1 OCC1=NC(Br)=CS1 0499AB [0,2,0,0,0,0|1,1,0]=4 360 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,2,0,0,0,0|1,1,0]=4 361 B8R1.7 C=C(C)C1=NC=CS1 5670AL [0,2,0,0,0,0|1,1,0]=4 362 B8R1.7 CC(=O)C1=CC=NO1 4156AC [0,2,0,0,0,0|1,0,0]=3 363 B8R1.7 CC(=O)C1=CN=CS1 5381AC [0,2,0,0,0,0|1,1,0]=4 364 B8R1.7 CC(=O)C1=NC=CO1 W8389 [0,2,0,0,0,0|1,0,0]=3 365 B8R1.7 CC(=O)C1=NOC=C1 4155AC [0,2,0,0,0,0|2,0,0]=4 366 B8R1.7 CC(C)C1=NC=CS1 V3543 [0,2,0,0,0,0|1,1,0]=4 367 B8R1.7 CC(N)C1=CC=CS1 9580AB [0,2,0,0,0,0|0,1,0]=3 368 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,2,0,0,0,0|2,0,0]=4 369 B8R1.7 CC(N)C1=CSC=N1 4743AH [0,2,0,0,0,0|2,0,0]=4 370 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,2,0,0,0,0|1,0,0]=3 371 B8R1.7 CC(O)C1=CC=CO1 0311AQ [0,2,0,0,0,0|0,0,0]=2 372 B8R1.7 CC(O)C1=COC=C1 3660AD [0,2,0,0,0,0|2,0,0]=4 373 B8R1.7 FC(F)N1C=CC=N1 5122AC [0,2,0,0,0,0|2,0,0]=4 374 B8R1.7 NC(=O)C1=CC=CN1 V6031 [0,2,0,0,0,0|1,0,1]=4 375 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [0,2,0,0,0,0|1,0,1]=4 376 B8R1.7 NC(=S)C1=CN=CO1 Y4507 [0,2,0,0,0,0|1,0,1]=4 377 B8R1.7 NC(=S)C1=NC=CO1 4442AJ [0,2,0,0,0,0|1,0,1]=4 378 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,2,0,0,0,0|1,0,1]=4 379 B8R1.8 BrCCC1=CC=CS1 Z5496 [0,2,0,0,0,0|0,1,0]=3 380 B8R1.8 C=CCN1C=CC=N1 9666AH [0,2,0,0,0,0|2,0,0]=4 381 B8R1.8 CCCC1=CC=CO1 Z5525 [0,2,0,0,0,0|0,0,0]=2 382 B8R1.8 CCCC1=CSC=C1 Z5466 [0,2,0,0,0,0|2,0,0]=4 383 B8R1.8 CCCC1=NN=CO1 5829AA [0,2,0,0,0,0|2,0,0]=4 384 B8R1.8 CCNC1=CC=CS1 W4294 [0,2,0,0,0,0|0,1,0]=3 385 B8R1.8 CCNC1=NC=CS1 4125AJ [0,2,0,0,0,0|1,1,0]=4 386 B8R1.8 CNCC1=CC=CO1 7008AC [0,2,0,0,0,0|0,0,0]=2 387 B8R1.8 CNCC1=CC=NN1 0420AC [0,2,0,0,0,0|2,0,0]=4 388 B8R1.8 CNCC1=CC=NO1 4172AJ [0,2,0,0,0,0|1,0,0]=3 389 B8R1.8 CNCC1=CN=CS1 Z3350 [0,2,0,0,0,0|1,1,0]=4 390 B8R1.8 CNCC1=CSC=N1 3622AA [0,2,0,0,0,0|2,0,0]=4 391 B8R1.8 CNCC1=NC=CN1 4097AE [0,2,0,0,0,0|2,0,0]=4 392 B8R1.8 CNCC1=NC=CS1 4356AD [0,2,0,0,0,0|1,1,0]=4 393 B8R1.8 CNCC1=NOC=C1 4335AJ [0,2,0,0,0,0|2,0,0]=4 394 B8R1.8 CNCC1=NOC=C1 7285AH [0,2,0,0,0,0|2,0,0]=4 395 B8R1.8 ClCCC1=CNC=N1 X4176 [0,2,0,0,0,0|2,0,0]=4 396 B8R1.8 N#CCC1=NC=CS1 4664AJ [0,2,0,0,0,0|1,1,0]=4 397 B8R1.8 N#CCC1=NNC=C1 Z1629 [0,2,0,0,0,0|2,0,0]=4 398 B8R1.8 N#CCN1C=CC=N1 9014AC [0,2,0,0,0,0|2,0,0]=4 399 B8R1.8 NCCC1=CC=CN1 1070AJ [0,2,0,0,0,0|1,0,0]=3 400 B8R1.8 NCCC1=CSC=C1 8829AB [0,2,0,0,0,0|2,0,0]=4 401 B8R1.8 NCCC1=NC=CN1 9985AA [0,2,0,0,0,0|2,0,0]=4 402 B8R1.8 NCCC1=NC=CS1 5806AE [0,2,0,0,0,0|1,1,0]=4 403 B8R1.8 NCCN1C=CC=C1 3045AB [0,2,0,0,0,0|2,0,0]=4 404 B8R1.8 OCCN1C=CC=C1 4278AL [0,2,0,0,0,0|2,0,0]=4 405 B8R1.11 CC1=C(C#N)C=CN1 1782AJ [0,2,0,0,0,0|1,0,0]=3 406 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [0,2,0,0,0,0|0,0,0]=2 407 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,2,0,0,0,0|0,0,1]=3 408 B8R1.11 CC1=C(C=O)OC=N1 5034AD [0,2,0,0,0,0|1,0,1]=4 409 B8R1.11 CC1=C(CN)SC=N1 3343AC [0,2,0,0,0,0|1,1,0]=4 410 B8R1.11 CC1=C(CO)C=CO1 8108AB [0,2,0,0,0,0|0,0,0]=2 411 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,2,0,0,0,0|0,0,0]=2 412 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,2,0,0,0,0|0,1,0]=3 413 B8R1.11 CC1=CSC=C1C#N 1373AC [0,2,0,0,0,0|2,0,0]=4 414 B8R1.11 CC1=NSC=C1C#N 8734AB [0,2,0,0,0,0|2,0,0]=4 415 B8R1.11 CCC1=NNC=C1I 2420AL [0,2,0,0,0,0|2,0,0]=4 416 B8R1.11 CCN1N=CC=C1Br 5279AA [0,2,0,0,0,0|2,0,0]=4 417 B8R1.11 CCN1N=CC=C1C 3292AE [0,2,0,0,0,0|2,0,0]=4 418 B8R1.11 CCN1N=CC=C1I V2890 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.11 CN1C=CC=C1CO 7329AB [0,2,0,0,0,0|1,0,0]=3 420 B8R1.11 CN1C=CN=C1CN 7571AB [0,2,0,0,0,0|2,0,0]=4 421 B8R1.11 CN1C=CN=C1CN 8167AA [0,2,0,0,0,0|2,0,0]=4 422 B8R1.11 CN1N=CC=C1C#N 7596AE [0,2,0,0,0,0|2,0,0]=4 423 B8R1.11 CN1N=CC=C1CN 0380AD [0,2,0,0,0,0|2,0,0]=4 424 B8R1.11 CSC1=C(Br)C=CS1 Z0767 [0,2,0,0,0,0|0,1,0]=3 425 B8R1.11 N#CC1=C(Br)C=CS1 Y5323 [0,2,0,0,0,0|0,1,1]=4 426 B8R1.11 N#CC1=C(Br)OC=C1 5571AC [0,2,0,0,0,0|1,0,0]=3 427 B8R1.11 N#CC1=C(Br)SC=C1 0110AP [0,2,0,0,0,0|1,1,0]=4 428 B8R1.11 N#CC1=C(N)C=CS1 4387AA [0,2,0,0,0,0|0,1,1]=4 429 B8R1.11 N#CC1=C(N)C=CS1 Y9485 [0,2,0,0,0,0|0,1,1]=4 430 B8R1.11 N#CC1=C(N)OC=C1 4127AD [0,2,0,0,0,0|1,0,0]=3 431 B8R1.11 N#CC1=C(N)OC=N1 7056AB [0,2,0,0,0,0|2,0,0]=4 432 B8R1.11 NC1=C(C=O)SC=C1 8259AB [0,2,0,0,0,0|0,1,1]=4 433 B8R1.11 NCC1=C(Br)C=CS1 4220AA [0,2,0,0,0,0|0,1,0]=3 434 B8R1.11 O=CC1=C(Br)C=CN1 5568AB [0,2,0,0,0,0|1,0,1]=4 435 B8R1.11 OCC1=C(Cl)C=CS1 6537AD [0,2,0,0,0,0|0,1,0]=3 436 B8R1.18 CC1=C(Br)N=C(N)S1 3656AA [0,2,0,0,0,0|1,1,0]=4 437 B8R1.18 CC1=C(Br)SC(Br)=N1 Y5554 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.18 CC1=C(C)NC(=O)N1 1527AA [0,2,0,0,0,0|2,0,0]=4 439 B8R1.18 CC1=C(C)OC(N)=N1 6278AB [0,2,0,0,0,0|1,0,0]=3 440 B8R1.18 CC1=C(Cl)SC(Cl)=C1 F300 [0,2,0,0,0,0|1,1,0]=4 441 B8R1.18 CC1=C(Cl)SC(N)=N1 V6431 [0,2,0,0,0,0|2,0,0]=4 442 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,2,0,0,0,0|0,0,0]=2 443 B8R1.18 CC1=NC(Br)=C(Br)N1 V0765 [0,2,0,0,0,0|2,0,0]=4 444 B8R1.18 CC1=NN(C)C=C1Cl 5020AD [0,2,0,0,0,0|2,0,0]=4 445 B8R1.18 CN1N=C(N)C=C1Br 4711AC [0,2,0,0,0,0|2,0,0]=4 446 B8R1.18 ClC1=C(Cl)SC(Br)=C1 2884AC [0,2,0,0,0,0|1,1,0]=4 447 B8R1.18 O=C1C=C(Br)C(=O)N1 3917AE [0,2,0,0,0,0|2,0,0]=4 448 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,2,0,0,0,0|1,0,1]=4 449 B8R1.50 CC1=C(Br)C(Br)=NN1 2073AJ [0,2,0,0,0,0|2,0,0]=4 450 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,2,0,0,0,0|2,0,0]=4 451 B8R1.50 CC1=C(N)C=NN1C 3015AA [0,2,0,0,0,0|2,0,0]=4 452 B8R1.50 CC1=CC=C(C)N1C 4413AL [0,2,0,0,0,0|1,0,0]=3 453 B8R1.50 CC1=CSC(C)=C1Br 2426AC [0,2,0,0,0,0|0,1,0]=3 454 B8R1.50 CC1=NNC(C)=C1C 5490AE [0,2,0,0,0,0|2,0,0]=4 455 B8R1.50 CC1=NNC(C)=C1N V6403 [0,2,0,0,0,0|2,0,0]=4 456 B8R1.50 CC1=NNC(O)=C1C 4394AD [0,2,0,0,0,0|2,0,0]=4 457 B8R1.50 CC1=NOC(C)=C1Cl 8232AC [0,2,0,0,0,0|1,0,0]=3 458 B8R1.50 CC1=NOC(N)=C1Br 0892AQ [0,2,0,0,0,0|2,0,0]=4 459 B8R1.50 CC1=NSC(N)=C1Br 0891AQ [0,2,0,0,0,0|2,0,0]=4 460 B8R1.50 CC1=NSC(N)=C1Cl 4539AF [0,2,0,0,0,0|2,0,0]=4 461 B8R1.50 O=C1C=CC(=O)N1O P914 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.50 O=C1OCC(Cl)=C1Cl 0792AQ [0,2,0,0,0,0|1,0,1]=4 463 B8R1.19 CC1(C)OC=CC1=O 0580AQ [0,2,0,0,0,0|0,0,1]=3 464 B6R1.1 C1=CC=NC=C1 9032AJ [0,0,1,1,0,0|1,0,1]=4 465 B6R1.1 C1=CC=NC=C1 I569 [0,0,1,1,0,0|1,0,1]=4 466 B6R1.1 C1=CN=NC=C1 9247AB [0,0,1,1,0,0|2,0,0]=4 467 B8R1.22 O=C1C=CC=CC=C1 1296AQ [0,0,0,0,0,2|2,0,0]=4