0 B6R1.2 BrC1=CC=NS1 7852AB [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=CCCC1 Z8081 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 BrC1=NSC=C1 Z4879 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 CC1=CNN=N1 W5081 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 CC1=CON=C1 9884AB [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 CC1=CSN=N1 Y8051 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 CC1=NC=CO1 1470AB [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 CC1=NOC=C1 Z4582 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 CC1=NON=C1 W4957 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 CC1CCNC1 X9461 [0,0,0,0,0,0|1,0,3]=4 11 B6R1.2 CN1C=NN=N1 X6249 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,0,0,0|1,0,3]=4 13 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,0,0,0|1,0,3]=4 14 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,0,0,0|3,0,1]=4 15 B6R1.2 ClC1=NC=NS1 W5914 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 IC1=NN=CS1 Z7518 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 NC1=CN=CN1 0957AP [0,0,0,0,0,0|3,0,0]=3 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=CON=C1 X8883 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 NC1=CSN=C1 2850AJ [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 NC1=NN=CO1 0114AP [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 NC1=NN=NS1 Z2240 [0,0,0,0,0,0|3,0,1]=4 24 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,0,0,0|4,0,0]=4 26 B5R1.1 C1=CSN=C1 Z4550 [1,0,0,0,0,0|1,0,0]=2 27 B5R1.1 C1=NN=CO1 2890AB [1,0,0,0,0,0|1,0,1]=3 28 B5R1.1 C1=NNCC1 5793AL [1,0,0,0,0,0|0,0,2]=3 29 B7R1.1 BrCC1=COC=N1 1429AA [0,1,0,0,0,0|3,0,0]=4 30 B7R1.1 BrCC1=NOC=C1 2020AJ [0,1,0,0,0,0|3,0,0]=4 31 B7R1.1 CCC1=CC=NO1 3273AB [0,1,0,0,0,0|2,0,0]=3 32 B7R1.1 CCC1=CNC=N1 6226AL [0,1,0,0,0,0|2,0,0]=3 33 B7R1.1 CCC1=NNC=C1 6654AA [0,1,0,0,0,0|2,0,0]=3 34 B7R1.1 COC1=CC=CO1 2109AL [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 CSC1=CNC=N1 X6327 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.1 ClCC1=CC=NO1 8534AB [0,1,0,0,0,0|2,0,0]=3 37 B7R1.1 ClCC1=COC=N1 0393AC [0,1,0,0,0,0|3,0,0]=4 38 B7R1.1 N#CC1=CN=CO1 X3473 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.1 N#CC1=COC=C1 0818AQ [0,1,0,0,0,0|2,0,1]=4 40 B7R1.1 NCC1=CC=CN1 W7617 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.1 NCC1=CC=NO1 6076AB [0,1,0,0,0,0|2,0,0]=3 42 B7R1.1 NCC1=CN=CS1 7784AH [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 NCC1=CNC=C1 4647AC [0,1,0,0,0,0|1,0,0]=2 44 B7R1.1 NCC1=CNC=N1 1263AC [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 NCC1=CNC=N1 W7724 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 NCC1=CNN=N1 9846AH [0,1,0,0,0,0|1,0,0]=2 47 B7R1.1 NCC1=COC=C1 Y9148 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 NCC1=COC=N1 Y1477 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 NCC1=CON=C1 8978AA [0,1,0,0,0,0|1,0,0]=2 50 B7R1.1 NCC1=CSC=C1 Z3907 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 NCC1=CSC=N1 0159AD [0,1,0,0,0,0|3,0,0]=4 52 B7R1.1 NCC1=CSC=N1 8187AA [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 NCC1=NC=NN1 8323AH [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 NCC1=NNN=N1 V5109 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 NCC1=NOC=C1 3959AJ [0,1,0,0,0,0|3,0,0]=4 56 B7R1.1 O=CC1=CC=NS1 7399AB [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 O=CC1=CN=CO1 X9341 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.1 O=CC1=CON=C1 0015AC [0,1,0,0,0,0|1,0,1]=3 59 B7R1.1 O=CC1=CSN=C1 4169AJ [0,1,0,0,0,0|1,0,1]=3 60 B7R1.1 OCC1=CNC=N1 W5446 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.1 OCC1=CON=C1 2836AJ [0,1,0,0,0,0|1,0,0]=2 62 B7R1.1 OCC1=NNC=C1 X6393 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 OCN1C=CN=C1 9540AF [0,1,0,0,0,0|2,0,0]=3 64 B7R1.2 BrC1=CNC(Br)=N1 V7098 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.2 BrC1=NC=C(I)S1 X8877 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,1,0,0,0,0|3,0,0]=4 68 B7R1.2 CC1=CC=C(N)S1 5777AB [0,1,0,0,0,0|3,0,0]=4 69 B7R1.2 CC1=CN(C)C=N1 9650AB [0,1,0,0,0,0|2,0,0]=3 70 B7R1.2 CC1=CN=C(N)N1 0439AC [0,1,0,0,0,0|2,0,0]=3 71 B7R1.2 CC1=CN=C(N)N1 3105AA [0,1,0,0,0,0|2,0,0]=3 72 B7R1.2 CC1=CN=C(N)O1 X6056 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.2 CC1=COC(Br)=N1 X8790 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.2 CC1=COC(C)=N1 5323AL [0,1,0,0,0,0|3,0,0]=4 75 B7R1.2 CC1=CSC(Br)=C1 7530AB [0,1,0,0,0,0|2,0,0]=3 76 B7R1.2 CC1=CSC(N)=C1 5740AC [0,1,0,0,0,0|2,0,0]=3 77 B7R1.2 CC1=NC(Br)=CN1 W3545 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.2 CC1=NC(Br)=NN1 8783AD [0,1,0,0,0,0|3,0,0]=4 79 B7R1.2 CC1=NC(Br)=NO1 2584AD [0,1,0,0,0,0|3,0,0]=4 80 B7R1.2 CC1=NC(Cl)=NN1 4748AD [0,1,0,0,0,0|3,0,0]=4 81 B7R1.2 CC1=NC=C(N)S1 Z5289 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.2 CC1=NN(C)N=C1 8968AB [0,1,0,0,0,0|1,0,0]=2 83 B7R1.2 CC1=NN=C(C)O1 Z4081 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.2 CC1=NNC(I)=C1 Y2583 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.2 CC1=NSC(Br)=C1 0520AB [0,1,0,0,0,0|3,0,0]=4 86 B7R1.2 CC1=NSC(I)=C1 6767AD [0,1,0,0,0,0|3,0,0]=4 87 B7R1.2 CC1=NSC(N)=C1 1797AB [0,1,0,0,0,0|3,0,0]=4 88 B7R1.2 CN1C=C(N)N=N1 0396AC [0,1,0,0,0,0|2,0,0]=3 89 B7R1.2 CN1C=NC(Cl)=N1 5746AE [0,1,0,0,0,0|3,0,0]=4 90 B7R1.2 CN1C=NC(I)=C1 V8393 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.2 ClC1=CC(Br)=CS1 3619AB [0,1,0,0,0,0|3,0,0]=4 92 B7R1.2 ClC1=NC=C(Br)S1 3170AB [0,1,0,0,0,0|3,0,0]=4 93 B7R1.2 FC1=CSC(Br)=C1 5520AL [0,1,0,0,0,0|3,0,0]=4 94 B7R1.2 IC1=CNC(I)=N1 6473AD [0,1,0,0,0,0|3,0,0]=4 95 B7R1.2 NC1=CC(=O)NO1 2723AC [0,1,0,0,0,0|3,0,0]=4 96 B7R1.2 O=C1C=C(O)CN1 6921AB [0,1,0,0,0,0|2,0,1]=4 97 B7R1.2 OC1=NSC(Cl)=C1 Z4502 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.4 BrC1=C(Br)NC=N1 V0764 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.4 BrC1=C(I)SC=C1 9000AB [0,1,0,0,0,0|3,0,0]=4 100 B7R1.4 BrC1=CSC=C1I 1469AC [0,1,0,0,0,0|3,0,0]=4 101 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,1,0,0,0,0|3,0,0]=4 102 B7R1.4 CC1=C(Br)N=CS1 5945AA [0,1,0,0,0,0|2,0,0]=3 103 B7R1.4 CC1=C(Br)SN=C1 3135AJ [0,1,0,0,0,0|1,0,0]=2 104 B7R1.4 CC1=C(C)OC=N1 X5138 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.4 CC1=C(Cl)SN=N1 5149AE [0,1,0,0,0,0|2,0,0]=3 106 B7R1.4 CC1=C(I)NN=C1 Y3268 [0,1,0,0,0,0|0,0,0]=1 107 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,0,0,0|2,0,0]=3 108 B7R1.4 CC1=CNC=C1C 2295AL [0,1,0,0,0,0|1,0,0]=2 109 B7R1.4 CC1=CON=C1N 9062AA [0,1,0,0,0,0|1,0,0]=2 110 B7R1.4 CC1=CSC=C1N 1699AB [0,1,0,0,0,0|2,0,0]=3 111 B7R1.4 CC1=NN=CN1N 8795AD [0,1,0,0,0,0|2,0,1]=4 112 B7R1.4 CC1=NOC=C1N 4428AB [0,1,0,0,0,0|2,0,0]=3 113 B7R1.4 CC1=NSC=C1Br 5743AC [0,1,0,0,0,0|2,0,0]=3 114 B7R1.4 CC1=NSC=C1N 7616AB [0,1,0,0,0,0|2,0,0]=3 115 B7R1.4 CC1C=NNC1=O 1336AQ [0,1,0,0,0,0|0,0,1]=2 116 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,0,0,0|1,0,2]=4 117 B7R1.4 CN1C=CN=C1N Z5007 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.4 CN1C=NC=C1N Y1665 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.4 CN1N=CN=C1Cl 5751AE [0,1,0,0,0,0|3,0,0]=4 120 B7R1.4 CN1N=CN=C1N 7927AA [0,1,0,0,0,0|3,0,0]=4 121 B7R1.4 CN1N=NC=C1N 4755AF [0,1,0,0,0,0|2,0,1]=4 122 B7R1.4 IC1=CNN=C1I 0212AC [0,1,0,0,0,0|1,0,0]=2 123 B7R1.4 NC1=CSC=C1N 2314AC [0,1,0,0,0,0|3,0,0]=4 124 B7R1.4 NC1=NNC=C1Cl 7818AB [0,1,0,0,0,0|1,0,0]=2 125 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,0,0,0|3,0,0]=4 126 B5R0.1 C=C(C)CCBr Z4377 [0,0,1,0,0,0|2,0,1]=4 127 B5R0.1 C=C(C)CON 4430AJ [0,0,1,0,0,0|1,0,1]=3 128 B5R0.1 C=CCC(=C)C 5694AL [0,0,1,0,0,0|2,0,1]=4 129 B5R0.1 CC(C)=CCCl 7671AJ [0,0,1,0,0,0|2,0,1]=4 130 B5R0.1 CCC=C(C)C 7499AF [0,0,1,0,0,0|2,0,1]=4 131 B5R0.1 CNCC(C)=O 4565AF [0,0,1,0,0,0|2,0,1]=4 132 B5R0.1 CNOC(C)=O 8699AL [0,0,1,0,0,0|3,0,0]=4 133 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,0,1,0,0,0|3,0,0]=4 134 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,1,0,0,0|2,0,0]=3 135 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,1,0,0,0|3,0,0]=4 136 B5R0.3 C=CC(C)ON 4429AJ [0,0,1,0,0,0|2,0,1]=4 137 B5R0.3 C\C(C=O)=C/N 3293AB [0,0,1,0,0,0|1,0,0]=2 138 B5R0.3 C\C=C(/C)CC 0241AQ [0,0,1,0,0,0|2,0,1]=4 139 B5R0.3 C\C=C(/C)CC 9220AL [0,0,1,0,0,0|2,0,1]=4 140 B5R0.3 C\C=C(\C)CC 7440AL [0,0,1,0,0,0|2,0,1]=4 141 B7R1.3 BrC1=CC=NC=N1 2731AJ [0,0,0,0,0,1|2,0,0]=3 142 B7R1.3 BrC1=CN=NC=C1 Z1972 [0,0,0,0,0,1|1,0,1]=3 143 B7R1.3 CC1=CCC=CC1 7751AF [0,0,0,0,0,1|2,0,0]=3 144 B7R1.3 CC1=CCCNC1 V9748 [0,0,0,0,0,1|1,0,1]=3 145 B7R1.3 C[N+]1=CC=CC=C1 1581AB [0,0,0,0,0,1|3,0,0]=4 146 B7R1.3 C[N+]1=CC=CC=C1 K323 [0,0,0,0,0,1|3,0,0]=4 147 B7R1.3 ClC1=NN=CC=C1 X0225 [0,0,0,0,0,1|3,0,0]=4 148 B7R1.3 FC1=CN=CN=C1 W7798 [0,0,0,0,0,1|1,0,1]=3 149 B7R1.3 IC1=CN=CN=C1 W5347 [0,0,0,0,0,1|1,0,1]=3 150 B7R1.3 NC1=CC=CC=C1 7089AL [0,0,0,0,0,1|3,0,0]=4 151 B7R1.3 [O-][N+]1=CC=NC=C1 1770AB [0,0,0,0,0,1|3,0,0]=4 152 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [0,0,0,0,0,1|3,0,0]=4 153 B4R0.1 CC(=N)NN 5131AB [1,0,1,0,0,0|1,0,0]=3 154 B4R0.1 CC(=O)NBr 6847AF [1,0,1,0,0,0|2,0,0]=4 155 B4R0.1 C\C(N)=N/O 5291AE [1,0,1,0,0,0|2,0,0]=4 156 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,1,0,0,0|2,0,0]=4 157 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,1,0,0,0|2,0,0]=4 158 B4R0.2 C\C=C/CC 7428AL [1,0,1,0,0,0|1,0,1]=4 159 B4R0.2 C\C=C\SC AMTGC066 [1,0,1,0,0,0|1,0,1]=4 160 B4R0.2 N\C=C/C=O 4699AJ [1,0,1,0,0,0|1,0,0]=3 161 B6R0.1 CC(\C=N\O)=N/O P687 [0,1,1,0,0,0|2,0,0]=4 162 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,1,0,0,0|2,0,0]=4 163 B6R0.6 C=CCC\C=C\C 4658AL [0,1,1,0,0,0|2,0,0]=4 164 B8R1.2 BrCC1=NC=CN=C1 5266AJ [0,1,0,0,0,1|1,0,0]=3 165 B8R1.2 C=CC1=NC=CN=C1 R581 [0,1,0,0,0,1|1,0,1]=4 166 B8R1.2 CNC1=CN=CN=C1 5460AB [0,1,0,0,0,1|0,0,1]=3 167 B8R1.2 CNC1=NN=CC=N1 4345AJ [0,1,0,0,0,1|2,0,0]=4 168 B8R1.2 COC1=CC=NN=C1 Z5489 [0,1,0,0,0,1|0,0,1]=3 169 B8R1.2 ClCC1=CN=CC=N1 0741AB [0,1,0,0,0,1|1,0,0]=3 170 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,1,0,0,0,1|2,0,0]=4 171 B8R1.2 FCC1=CC=NC=C1 2557AL [0,1,0,0,0,1|1,0,0]=3 172 B8R1.2 N#CC1=CC=NN=C1 X2036 [0,1,0,0,0,1|0,0,2]=4 173 B8R1.2 NCC1=CC=CC=C1 7149AL [0,1,0,0,0,1|2,0,0]=4 174 B8R1.2 NCC1=CC=NC=C1 Z3385 [0,1,0,0,0,1|1,0,0]=3 175 B8R1.2 NCC1=CC=NC=N1 Y7101 [0,1,0,0,0,1|1,0,0]=3 176 B8R1.2 NCC1=CC=NN=C1 X9904 [0,1,0,0,0,1|0,0,1]=3 177 B8R1.2 NCC1=CN=NC=C1 0175AP [0,1,0,0,0,1|0,0,1]=3 178 B8R1.2 NCC1=NC=NC=C1 9281AB [0,1,0,0,0,1|1,0,0]=3 179 B8R1.2 NCC1=NN=CC=C1 5795AC [0,1,0,0,0,1|2,0,0]=4 180 B8R1.2 NNC1=CC=NC=C1 0864AQ [0,1,0,0,0,1|2,0,0]=4 181 B8R1.2 O=CC1=CN=NC=C1 7044AB [0,1,0,0,0,1|0,0,2]=4 182 B8R1.2 O=CC1=NC=CN=C1 X7048 [0,1,0,0,0,1|1,0,1]=4 183 B8R1.2 OCC1=CC=NC=N1 W5525 [0,1,0,0,0,1|1,0,0]=3 184 B8R1.2 OCC1=CN=NC=C1 7045AB [0,1,0,0,0,1|0,0,1]=3 185 B8R1.2 OCC1=NC=CN=C1 W7769 [0,1,0,0,0,1|1,0,0]=3 186 B8R1.2 OCC1=NN=CC=C1 W5830 [0,1,0,0,0,1|2,0,0]=4 187 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,1,0,0,0,1|1,0,0]=3 188 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [0,1,0,0,0,1|1,0,0]=3 189 B8R1.3 CC1=CN=C(C)N=C1 1431AB [0,1,0,0,0,1|0,0,1]=3 190 B8R1.3 CC1=CNC(=S)N=C1 Z2992 [0,1,0,0,0,1|0,0,0]=2 191 B8R1.3 CC1=NN=C(C)C=C1 X3917 [0,1,0,0,0,1|2,0,0]=4 192 B8R1.3 FC1=NC=C(I)C=N1 0786AC [0,1,0,0,0,1|1,0,1]=4 193 B8R1.3 NC1=CN=C(Br)N=C1 W7027 [0,1,0,0,0,1|1,0,1]=4 194 B8R1.3 NC1=CN=C(N)C=C1 X9372 [0,1,0,0,0,1|2,0,0]=4 195 B8R1.3 NC1=NC=C(O)C=C1 V8126 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.3 NC1=NC=C(O)C=C1 X4178 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.3 S=C1N=CC(Cl)=CN1 0391AQ [0,1,0,0,0,1|1,0,0]=3 198 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,1,0,0,0,1|0,0,0]=2 199 B8R1.4 CC1=CC(Cl)=NN=C1 W9219 [0,1,0,0,0,1|0,0,1]=3 200 B8R1.4 CC1=CC(I)=NC=C1 1274AB [0,1,0,0,0,1|1,0,0]=3 201 B8R1.4 CC1=CC(N)=CC=C1 5136AF [0,1,0,0,0,1|2,0,0]=4 202 B8R1.4 CC1=CC(N)=NN=C1 7108AA [0,1,0,0,0,1|0,0,1]=3 203 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [0,1,0,0,0,1|1,0,0]=3 204 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [0,1,0,0,0,1|1,0,0]=3 205 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,1,0,0,0,1|0,0,1]=3 206 B8R1.4 ClC1=CC(I)=CN=C1 2091AC [0,1,0,0,0,1|2,0,0]=4 207 B8R1.4 ClC1=CC(I)=NC=C1 1450AB [0,1,0,0,0,1|2,0,0]=4 208 B8R1.4 ClC1=NC(Br)=NC=C1 4405AC [0,1,0,0,0,1|2,0,0]=4 209 B8R1.4 FC1=CC(Cl)=NC=N1 7159AB [0,1,0,0,0,1|2,0,0]=4 210 B8R1.4 IC1=CN=CC(I)=C1 7672AB [0,1,0,0,0,1|2,0,0]=4 211 B8R1.4 NC1=CC(=O)NN=C1 W9199 [0,1,0,0,0,1|1,0,0]=3 212 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [0,1,0,0,0,1|2,0,0]=4 213 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [0,1,0,0,0,1|2,0,0]=4 214 B8R1.4 NC1=CC(I)=CN=C1 8472AD [0,1,0,0,0,1|2,0,0]=4 215 B8R1.4 NC1=CC(I)=NC=N1 W6793 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.4 NC1=CC=NC(F)=N1 2081AL [0,1,0,0,0,1|2,0,0]=4 217 B8R1.4 NC1=CN=CC(F)=N1 3111AD [0,1,0,0,0,1|2,0,0]=4 218 B8R1.4 NC1=CN=CC(N)=N1 W6186 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.4 NC1=NC(=O)NN=C1 3530AF [0,1,0,0,0,1|1,0,0]=3 220 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [0,1,0,0,0,1|2,0,0]=4 221 B8R1.4 NC1=NN=CC(Cl)=C1 Y1523 [0,1,0,0,0,1|1,0,1]=4 222 B8R1.4 OC1=CN=CC(I)=C1 7258AD [0,1,0,0,0,1|2,0,0]=4 223 B8R1.4 OC1=NC=CC(S)=N1 Z2909 [0,1,0,0,0,1|2,0,0]=4 224 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [0,1,0,0,0,1|1,0,0]=3 225 B8R1.5 CC1=C(Cl)N=CN=C1 W6679 [0,1,0,0,0,1|0,0,1]=3 226 B8R1.5 CC1=C(I)C=NC=N1 W9510 [0,1,0,0,0,1|1,0,0]=3 227 B8R1.5 CC1=C(N)N=CC=C1 3663AB [0,1,0,0,0,1|1,0,0]=3 228 B8R1.5 CC1=CC=CC=C1O Z3651 [0,1,0,0,0,1|2,0,0]=4 229 B8R1.5 CC1=CC=NN=C1Cl V2362 [0,1,0,0,0,1|0,0,1]=3 230 B8R1.5 CC1=CC=NN=C1N V8933 [0,1,0,0,0,1|0,0,1]=3 231 B8R1.5 CC1=CN=CN=C1Cl 2777AJ [0,1,0,0,0,1|0,0,1]=3 232 B8R1.5 CC1=NC=CC=C1I 7575AA [0,1,0,0,0,1|2,0,0]=4 233 B8R1.5 CC1=NC=NC=C1N B201 [0,1,0,0,0,1|1,0,0]=3 234 B8R1.5 CC1=NN=CN=C1O 5164AD [0,1,0,0,0,1|1,0,1]=4 235 B8R1.5 ClC1=C(Cl)C=NC=C1 5074AD [0,1,0,0,0,1|2,0,0]=4 236 B8R1.5 ClC1=C(Cl)C=NN=C1 Y3243 [0,1,0,0,0,1|1,0,1]=4 237 B8R1.5 ClC1=CC=CN=C1I W8392 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.5 ClC1=CC=NN=C1Cl W3654 [0,1,0,0,0,1|1,0,1]=4 239 B8R1.5 FC1=C(F)C=NC=C1 2808AC [0,1,0,0,0,1|2,0,0]=4 240 B8R1.5 FC1=NC=CN=C1F 4974AE [0,1,0,0,0,1|2,0,0]=4 241 B8R1.5 IC1=C(I)N=CC=C1 0321AF [0,1,0,0,0,1|2,0,0]=4 242 B8R1.5 NC1=CC=CN=C1Br 1627AJ [0,1,0,0,0,1|2,0,0]=4 243 B8R1.5 NC1=CC=CN=C1F 1722AJ [0,1,0,0,0,1|2,0,0]=4 244 B8R1.5 NC1=CC=NN=C1Cl W6981 [0,1,0,0,0,1|1,0,1]=4 245 B8R1.5 NC1=CC=NN=C1N 9138AB [0,1,0,0,0,1|1,0,1]=4 246 B8R1.5 NC1=CC=NNC1=O 8057AB [0,1,0,0,0,1|1,0,0]=3 247 B8R1.5 NC1=CN=CN=C1O 5791AH [0,1,0,0,0,1|1,0,1]=4 248 B8R1.5 NC1=CN=NC=C1Cl 7539AB [0,1,0,0,0,1|1,0,1]=4 249 B8R1.5 NC1=CN=NC=C1N 2824AB [0,1,0,0,0,1|1,0,1]=4 250 B8R1.5 NC1=NC=NC=C1O 7434AB [0,1,0,0,0,1|1,0,1]=4 251 B8R1.5 OC1=C(Cl)C=NN=C1 Y3271 [0,1,0,0,0,1|1,0,1]=4 252 B8R1.5 OC1=C(O)C=NC=C1 Y6808 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.5 OC1=NC=CN=C1O Y4736 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.1 BrCC1=CC(Br)=NO1 4667AC [0,2,0,0,0,0|2,0,0]=4 255 B8R1.1 BrCC1=CSC(Br)=C1 Z2517 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.1 C#CC1=CN(C)N=C1 Y6211 [0,2,0,0,0,0|0,0,1]=3 257 B8R1.1 CC1=CC(C#N)=NO1 V0794 [0,2,0,0,0,0|2,0,0]=4 258 B8R1.1 CC1=CN=C(CCl)S1 X4782 [0,2,0,0,0,0|2,0,0]=4 259 B8R1.1 CC1=CN=C(CN)S1 4774AJ [0,2,0,0,0,0|2,0,0]=4 260 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,2,0,0,0,0|2,0,0]=4 261 B8R1.1 CC1=CNC(CN)=N1 8794AH [0,2,0,0,0,0|2,0,0]=4 262 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,2,0,0,0,0|1,0,0]=3 263 B8R1.1 CC1=CSC(C#N)=C1 8938AE [0,2,0,0,0,0|2,0,0]=4 264 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,2,0,0,0,0|2,0,0]=4 265 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,2,0,0,0,0|2,0,0]=4 266 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,2,0,0,0,0|2,0,0]=4 267 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,2,0,0,0,0|2,0,0]=4 268 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,2,0,0,0,0|2,0,0]=4 269 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,2,0,0,0,0|2,0,0]=4 271 B8R1.1 CCN1C=C[N+](C)=C1 4849AL [0,2,0,0,0,0|2,0,0]=4 272 B8R1.1 CCN1C=C[N+](C)=C1 4850AL [0,2,0,0,0,0|2,0,0]=4 273 B8R1.1 CCN1C=NC(Br)=C1 1287AF [0,2,0,0,0,0|2,0,0]=4 274 B8R1.1 CN1C=C(CCl)C=N1 8978AE [0,2,0,0,0,0|0,0,0]=2 275 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,2,0,0,0,0|2,0,0]=4 276 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,2,0,0,0,0|2,0,0]=4 277 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,2,0,0,0,0|2,0,0]=4 278 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,2,0,0,0,0|2,0,0]=4 279 B8R1.1 CN1C=NC(CN)=C1 W6486 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.1 CN1C=NC(CO)=C1 6785AC [0,2,0,0,0,0|2,0,0]=4 281 B8R1.1 CNC1=NOC(C)=C1 4341AJ [0,2,0,0,0,0|2,0,0]=4 282 B8R1.1 COC1=CC(N)=NN1 2004AA [0,2,0,0,0,0|2,0,0]=4 283 B8R1.1 COC1=CC(N)=NN1 5689AB [0,2,0,0,0,0|2,0,0]=4 284 B8R1.1 COC1=CC(N)=NO1 R093 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,2,0,0,0,0|2,0,0]=4 286 B8R1.1 ClCC1=CC(Br)=NO1 Y7302 [0,2,0,0,0,0|2,0,0]=4 287 B8R1.1 NCC1=CC(Br)=NO1 W9337 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.1 OCC1=CSC(Cl)=C1 1477AC [0,2,0,0,0,0|2,0,0]=4 289 B8R1.7 CC(=O)C1=CN=NS1 X9965 [0,2,0,0,0,0|1,0,1]=4 290 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,2,0,0,0,0|2,0,0]=4 291 B8R1.7 CC(N)C1=COC=C1 2007AB [0,2,0,0,0,0|2,0,0]=4 292 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,2,0,0,0,0|2,0,0]=4 293 B8R1.7 CC(O)C1=CNC=N1 1361AL [0,2,0,0,0,0|2,0,0]=4 294 B8R1.7 CC(O)C1=COC=C1 3660AD [0,2,0,0,0,0|2,0,0]=4 295 B8R1.7 NC(=O)C1=CNC=C1 1113AC [0,2,0,0,0,0|1,0,1]=4 296 B8R1.7 NC(=S)C1=CNN=C1 9870AH [0,2,0,0,0,0|0,0,1]=3 297 B8R1.7 O=C(O)C1=CON=C1 V2366 [0,2,0,0,0,0|1,0,1]=4 298 B8R1.7 O=[N+]([O-])C1=CON=C1 X8994 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.7 O=[N+]([O-])C1=CSN=C1 2791AL [0,2,0,0,0,0|2,0,0]=4 300 B8R1.8 BrCCC1=CSC=C1 W7060 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.8 CCCC1=CSC=C1 Z5466 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.8 CNCC1=CC=NN1 0420AC [0,2,0,0,0,0|2,0,0]=4 303 B8R1.8 CNCC1=CC=NO1 4172AJ [0,2,0,0,0,0|2,0,0]=4 304 B8R1.8 CNCC1=COC=C1 7832AD [0,2,0,0,0,0|2,0,0]=4 305 B8R1.8 COCN1C=CN=C1 X6041 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.8 ClCCC1=CNC=N1 X4176 [0,2,0,0,0,0|2,0,0]=4 307 B8R1.8 ClCCC1=CNN=C1 9537AF [0,2,0,0,0,0|0,0,0]=2 308 B8R1.8 N#CCC1=CNC=N1 W3999 [0,2,0,0,0,0|2,0,0]=4 309 B8R1.8 N#CCC1=NNC=C1 Z1629 [0,2,0,0,0,0|2,0,0]=4 310 B8R1.8 NCCC1=CON=C1 5076AH [0,2,0,0,0,0|1,0,0]=3 311 B8R1.8 NCCC1=NNC=C1 4102AD [0,2,0,0,0,0|2,0,0]=4 312 B8R1.8 NCCN1C=CN=C1 4503AH [0,2,0,0,0,0|2,0,0]=4 313 B8R1.8 NCCN1C=CN=C1 8445AB [0,2,0,0,0,0|2,0,0]=4 314 B8R1.8 NCCN1C=NN=C1 5228AJ [0,2,0,0,0,0|1,0,1]=4 315 B8R1.8 OCCC1=CSC=C1 J11110 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.8 OCCC1=NNC=C1 1008AJ [0,2,0,0,0,0|2,0,0]=4 317 B8R1.11 CC1=C(C#N)C=CN1 1782AJ [0,2,0,0,0,0|1,0,1]=4 318 B8R1.11 CC1=C(C#N)SN=N1 8224AJ [0,2,0,0,0,0|2,0,0]=4 319 B8R1.11 CC1=C(C=O)N=CS1 2250AB [0,2,0,0,0,0|2,0,0]=4 320 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,2,0,0,0,0|2,0,0]=4 321 B8R1.11 CC1=C(C=O)SN=C1 4154AC [0,2,0,0,0,0|1,0,0]=3 322 B8R1.11 CC1=C(CN)C=CO1 8523AH [0,2,0,0,0,0|2,0,0]=4 323 B8R1.11 CC1=C(CN)C=NN1 1085AA [0,2,0,0,0,0|0,0,0]=2 324 B8R1.11 CC1=C(CN)SC=N1 3343AC [0,2,0,0,0,0|2,0,0]=4 325 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,2,0,0,0,0|2,0,0]=4 326 B8R1.11 CC1=C(CO)OC=N1 3918AE [0,2,0,0,0,0|2,0,0]=4 327 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,2,0,0,0,0|2,0,0]=4 328 B8R1.11 CC1=CSC=C1C#N 1373AC [0,2,0,0,0,0|2,0,0]=4 329 B8R1.11 CC1=NOC=C1CN 6776AA [0,2,0,0,0,0|1,0,0]=3 330 B8R1.11 CC1=NON=C1CBr 2757AF [0,2,0,0,0,0|2,0,0]=4 331 B8R1.11 CC1=NON=C1CN 0152AE [0,2,0,0,0,0|2,0,0]=4 332 B8R1.11 CC1=NON=C1CN 2596AA [0,2,0,0,0,0|2,0,0]=4 333 B8R1.11 CCC1=NNC=C1I 2420AL [0,2,0,0,0,0|1,0,0]=3 334 B8R1.11 CCN1C=NN=C1S 2716AL [0,2,0,0,0,0|1,0,1]=4 335 B8R1.11 CCN1N=NNC1=O 7683AJ [0,2,0,0,0,0|2,0,0]=4 336 B8R1.11 CN1C=CN=C1C#N 3919AE [0,2,0,0,0,0|2,0,0]=4 337 B8R1.11 CN1C=CN=C1CN 4586AA [0,2,0,0,0,0|2,0,0]=4 338 B8R1.11 CN1C=NN=C1CCl 3904AD [0,2,0,0,0,0|1,0,1]=4 339 B8R1.11 CN1C=NN=C1CN V3370 [0,2,0,0,0,0|1,0,1]=4 340 B8R1.11 CNC1=NC=CN1C 1684AA [0,2,0,0,0,0|2,0,0]=4 341 B8R1.11 COC1=NON=C1N 9711AE [0,2,0,0,0,0|2,0,0]=4 342 B8R1.11 ClCC1=C(Cl)SC=C1 B880 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.11 ClCC1=C(Cl)SN=N1 1536AF [0,2,0,0,0,0|2,0,0]=4 344 B8R1.11 N#CC1=C(Cl)NN=N1 1784AF [0,2,0,0,0,0|1,0,1]=4 345 B8R1.11 N#CC1=CNN=C1I 2782AC [0,2,0,0,0,0|0,0,1]=3 346 B8R1.11 O=CC1=C(Br)C=CN1 5568AB [0,2,0,0,0,0|2,0,0]=4 347 B8R1.11 O=CC1=NNC=C1Cl Y9646 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.11 OCC1=C(Cl)N=CS1 0635AA [0,2,0,0,0,0|2,0,0]=4 349 B8R1.18 CC1=C(Br)N=C(N)S1 3656AA [0,2,0,0,0,0|2,0,0]=4 350 B8R1.18 CC1=C(C)NC(Cl)=N1 8068AC [0,2,0,0,0,0|2,0,0]=4 351 B8R1.18 CC1=C(C)NC(N)=N1 6648AA [0,2,0,0,0,0|2,0,0]=4 352 B8R1.18 CC1=C(C)OC(S)=N1 V7193 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.18 CC1=C(Cl)SC(Cl)=C1 F300 [0,2,0,0,0,0|2,0,0]=4 354 B8R1.18 CC1=CN(C)C(Br)=N1 Y8377 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.18 CC1=CN(C)N=C1N 9631AH [0,2,0,0,0,0|0,0,0]=2 356 B8R1.18 CC1=NN(C)N=C1Br 6070AC [0,2,0,0,0,0|1,0,0]=3 357 B8R1.18 CN1C=C(Br)N=C1Br V6494 [0,2,0,0,0,0|2,0,0]=4 358 B8R1.18 O=C1C=C(Br)C(=O)N1 3917AE [0,2,0,0,0,0|2,0,0]=4 359 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,2,0,0,0,0|1,0,0]=3 360 B8R1.50 CC1=C(N)C=NN1C 2425AA [0,2,0,0,0,0|1,0,0]=3 361 B8R1.50 CC1=C(N)C=NN1C 3015AA [0,2,0,0,0,0|1,0,0]=3 362 B8R1.50 CC1=C(N)N(C)C=N1 6311AJ [0,2,0,0,0,0|2,0,0]=4 363 B8R1.50 CC1=C(N)N(C)N=C1 Z2447 [0,2,0,0,0,0|0,0,0]=2 364 B8R1.50 CC1=C(N)N=CN1C 6070AJ [0,2,0,0,0,0|2,0,0]=4 365 B8R1.50 CC1=CN=C(Br)N1C V4574 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.50 CC1=CSC(C)=C1Br 2426AC [0,2,0,0,0,0|2,0,0]=4 367 B8R1.50 CC1=NN=C(S)N1C V5669 [0,2,0,0,0,0|1,0,1]=4 368 B8R1.50 CC1=NNC(C)=C1C 5490AE [0,2,0,0,0,0|0,0,0]=2 369 B8R1.50 CC1=NNC(C)=C1Cl 5060AD [0,2,0,0,0,0|1,0,0]=3 370 B8R1.50 CC1=NOC(=O)C1C W3412 [0,2,0,0,0,0|1,0,1]=4 371 B8R1.50 CC1=NOC(C)=C1Cl 8232AC [0,2,0,0,0,0|2,0,0]=4 372 B8R1.50 CC1=NOC(N)=C1Cl X6146 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.50 CC1=NSC(N)=C1Cl 4539AF [0,2,0,0,0,0|2,0,0]=4 374 B8R1.50 CN1C(=O)CNC1=O 0568AC [0,2,0,0,0,0|2,0,0]=4 375 B8R1.50 CN1C(I)=CN=C1I V8150 [0,2,0,0,0,0|2,0,0]=4 376 B8R1.50 CN1N=[O+]C([O-])=C1I 6791AD [0,2,0,0,0,0|2,0,0]=4 377 B8R1.50 NC1=C(N)C(=O)NN1 4834AE [0,2,0,0,0,0|1,0,1]=4 378 B6R1.1 C1=CC=NC=C1 9032AJ [0,0,1,1,0,0|1,0,1]=4 379 B6R1.1 C1=CC=NC=C1 I569 [0,0,1,1,0,0|1,0,1]=4 380 B4R1.2 C[C@H]1CN1 1289AL [0,0,0,0,2,0|0,0,2]=4