0 B7R1.1 C=CC1=CN=CN1 4743AB [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 C=CC1=NC=CS1 Y1855 [0,0,0,0,0,0|2,1,1]=4 2 B7R1.1 CCC1=CC=CN1 Y7642 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 CCC1=CSC=C1 X4152 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 CCN1C=CC=C1 6758AE [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 CCN1C=NC=N1 8559AA [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 CNC1=NC=CS1 W7369 [0,0,0,0,0,0|3,1,0]=4 7 B7R1.1 CSC1=CC=CS1 Z0707 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.1 CSC1=CSC=C1 Z0368 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 CSC1=NC=CN1 5294AJ [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 CSC1=NC=CS1 R552 [0,0,0,0,0,0|3,1,0]=4 11 B7R1.1 ClCC1=CC=NN1 0765AC [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 ClCC1=CN=CS1 Z4079 [0,0,0,0,0,0|2,1,0]=3 13 B7R1.1 ClCC1=CNC=N1 1651AB [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 ClCC1=CNC=N1 V5652 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 ClCC1=NC=CO1 X7958 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.1 ClCC1=NOC=N1 X2943 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 N#CC1=CC=CN1 Y6238 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.1 N#CC1=CN=CS1 W4910 [0,0,0,0,0,0|2,1,1]=4 19 B7R1.1 N#CC1=CNC=C1 1058AC [0,0,0,0,0,0|3,0,1]=4 20 B7R1.1 N#CC1=COC=N1 Y5469 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 N#CC1=NC=CN1 3456AB [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 N#CC1=NNC=C1 W5786 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 N#CC1=NOC=C1 0622AC [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 NCC1=CC=CN1 X9903 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.1 NCC1=CC=NO1 6076AB [0,0,0,0,0,0|2,0,0]=2 26 B7R1.1 NCC1=CN=CO1 7605AH [0,0,0,0,0,0|2,0,0]=2 27 B7R1.1 NCC1=CN=CO1 X9388 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.1 NCC1=CN=CS1 7784AH [0,0,0,0,0,0|2,1,0]=3 29 B7R1.1 NCC1=CN=CS1 W3518 [0,0,0,0,0,0|2,1,0]=3 30 B7R1.1 NCC1=CN=CS1 Z3440 [0,0,0,0,0,0|2,1,0]=3 31 B7R1.1 NCC1=CNC=C1 4647AC [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 NCC1=CNC=N1 W7724 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.1 NCC1=COC=N1 Y6958 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.1 NCC1=CSC=C1 Y8534 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.1 NCC1=CSC=N1 6554AH [0,0,0,0,0,0|3,0,0]=3 36 B7R1.1 NCC1=NC=CN1 6710AA [0,0,0,0,0,0|3,0,0]=3 37 B7R1.1 NCC1=NC=CS1 3144AC [0,0,0,0,0,0|2,1,0]=3 38 B7R1.1 NCC1=NC=CS1 W6779 [0,0,0,0,0,0|2,1,0]=3 39 B7R1.1 NCC1=NNC=C1 W5849 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.1 NCC1=NNC=C1 X6524 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 NCC1=NOC=C1 5768AA [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 O=CC1=CC=NS1 7399AB [0,0,0,0,0,0|1,2,1]=4 43 B7R1.1 O=CC1=NC=CS1 0841AA [0,0,0,0,0,0|1,2,1]=4 44 B7R1.1 OCC1=CC=NN1 1603AB [0,0,0,0,0,0|2,1,0]=3 45 B7R1.1 OCC1=CN=CO1 X9696 [0,0,0,0,0,0|1,1,0]=2 46 B7R1.1 OCC1=CNC=N1 W8610 [0,0,0,0,0,0|2,1,0]=3 47 B7R1.1 OCC1=CNN=C1 W4849 [0,0,0,0,0,0|3,1,0]=4 48 B7R1.1 OCC1=COC=N1 V3523 [0,0,0,0,0,0|2,1,0]=3 49 B7R1.1 OCC1=CSC=N1 X0268 [0,0,0,0,0,0|2,1,0]=3 50 B7R1.1 OCC1=CSN=N1 7580AJ [0,0,0,0,0,0|3,1,0]=4 51 B7R1.1 OCC1=NC=CO1 5578AA [0,0,0,0,0,0|1,1,0]=2 52 B7R1.1 OCC1=NC=CS1 W3175 [0,0,0,0,0,0|1,2,0]=3 53 B7R1.1 OCC1=NOC=C1 Z5286 [0,0,0,0,0,0|2,1,0]=3 54 B7R1.1 OCN1C=CC=N1 X8992 [0,0,0,0,0,0|2,1,0]=3 55 B7R1.1 OCN1C=NC=N1 1023AL [0,0,0,0,0,0|3,1,0]=4 56 B7R1.1 SCC1=CC=CO1 Z5487 [0,0,0,0,0,0|0,0,0]=0 57 B7R1.1 SCC1=CC=CS1 7988AJ [0,0,0,0,0,0|0,1,0]=1 58 B6R1.2 BrC1=NNC=C1 W3171 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 BrC1=NOC=C1 2067AA [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 BrC1=NSC=C1 Z4879 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 CC1=CN=CS1 W5735 [1,0,0,0,0,0|1,1,0]=3 62 B6R1.2 CC1=COC=N1 Z5040 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 CC1=NN=CO1 Z4625 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 CN1C=CC=C1 W9812 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 ClC1=CNC=N1 W3465 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 ClC1=NNC=C1 7033AA [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 FC1=CN=CN1 Z6040 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 IC1=NNC=C1 Y5436 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 NC1=CC=NO1 Z4172 [1,0,0,0,0,0|2,0,0]=3 70 B6R1.2 NC1=CN=CS1 W9667 [1,0,0,0,0,0|2,1,0]=4 71 B6R1.2 NC1=CSC=C1 2074AB [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 NC1=CSC=C1 W8854 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 NC1=NC=CN1 V6725 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 NC1=NC=CN1 Z4665 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 NC1=NN=CO1 0114AP [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 O=C1C=CNN1 X9987 [1,0,0,0,0,0|2,1,0]=4 77 B6R1.2 O=C1C=CSN1 Z3786 [1,0,0,0,0,0|2,1,0]=4 78 B6R1.2 ON1C=CC=N1 2689AC [1,0,0,0,0,0|2,1,0]=4 79 B6R1.2 S=C1SC=CS1 Z2256 [1,0,0,0,0,0|1,1,1]=4 80 B8R1.1 C#CC1=CC=C(Br)S1 5481AJ [0,1,0,0,0,0|1,1,1]=4 81 B8R1.1 CC1=CC(CO)=NO1 W5683 [0,1,0,0,0,0|2,1,0]=4 82 B8R1.1 CC1=CC=C(C#N)N1 2253AB [0,1,0,0,0,0|2,0,1]=4 83 B8R1.1 CC1=CC=C(C#N)S1 1306AC [0,1,0,0,0,0|1,1,1]=4 84 B8R1.1 CC1=CC=C(CO)O1 Y8951 [0,1,0,0,0,0|0,1,0]=2 85 B8R1.1 CC1=CN=C(CO)S1 W4281 [0,1,0,0,0,0|1,2,0]=4 86 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [0,1,0,0,0,0|0,2,1]=4 87 B8R1.1 CC1=CSC(CO)=C1 Y9977 [0,1,0,0,0,0|0,2,0]=3 88 B8R1.1 CC1=CSC(CO)=N1 Y5277 [0,1,0,0,0,0|1,2,0]=4 89 B8R1.1 CC1=NC(CBr)=CS1 Y9993 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.1 CC1=NC(CN)=CS1 Y6880 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.1 CC1=NC(CO)=CS1 Y4033 [0,1,0,0,0,0|2,1,0]=4 92 B8R1.1 CC1=NC=C(CO)S1 8183AB [0,1,0,0,0,0|1,2,0]=4 93 B8R1.1 CC1=NN=C(CCl)O1 X2009 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.1 CC1=NN=C(CN)O1 6665AE [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 CC1=NN=C(CO)O1 8855AH [0,1,0,0,0,0|2,1,0]=4 96 B8R1.1 CC1=NOC(CBr)=C1 Y8895 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.1 CC1=NOC(CCl)=N1 X2011 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CC1=NOC(CO)=C1 Y7569 [0,1,0,0,0,0|1,1,0]=3 99 B8R1.1 CCN1C=C(N)C=N1 3909AC [0,1,0,0,0,0|3,0,0]=4 100 B8R1.1 CN1C=CC(CN)=N1 Y5488 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.1 CN1C=NC(CO)=C1 Y7819 [0,1,0,0,0,0|2,1,0]=4 102 B8R1.1 COC1=CC(N)=NO1 R093 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.1 ClCC1=CC(Br)=NO1 Y7302 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.1 ClCC1=CC=C(Cl)S1 Z4464 [0,1,0,0,0,0|1,1,0]=3 105 B8R1.1 ClCC1=CSC(Cl)=N1 Y5458 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.1 N#CC1=CC=C(N)S1 7417AB [0,1,0,0,0,0|1,1,1]=4 107 B8R1.1 NC1=NC(CCl)=CS1 1241AC [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 NC1=NC(CCl)=CS1 W7244 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 NC1=NNC(CO)=C1 6290AC [0,1,0,0,0,0|2,1,0]=4 110 B8R1.1 NCC1=CC=C(Br)S1 Z6237 [0,1,0,0,0,0|1,1,0]=3 111 B8R1.1 NCC1=CN=C(Cl)S1 W3344 [0,1,0,0,0,0|2,1,0]=4 112 B8R1.1 NCC1=CN=C(Cl)S1 X9440 [0,1,0,0,0,0|2,1,0]=4 113 B8R1.1 O=C1C=C(CBr)CO1 5995AJ [0,1,0,0,0,0|3,0,0]=4 114 B8R1.1 O=CC1=CC(I)=CN1 Y8757 [0,1,0,0,0,0|1,1,1]=4 115 B8R1.1 O=CC1=CC(I)=CS1 9807AA [0,1,0,0,0,0|0,2,1]=4 116 B8R1.1 O=CC1=CC=C(Br)N1 5759AC [0,1,0,0,0,0|1,1,1]=4 117 B8R1.1 O=CC1=CC=C(Cl)O1 9756AL [0,1,0,0,0,0|0,1,1]=3 118 B8R1.1 O=CC1=CC=C(I)O1 F087 [0,1,0,0,0,0|0,1,1]=3 119 B8R1.1 OCC1=CC(Br)=NO1 W4909 [0,1,0,0,0,0|1,1,0]=3 120 B8R1.1 OCC1=CC=C(Br)S1 X5386 [0,1,0,0,0,0|0,2,0]=3 121 B8R1.1 OCC1=CC=C(Cl)S1 1513AC [0,1,0,0,0,0|0,2,0]=3 122 B8R1.1 OCC1=CN=C(Br)S1 W7872 [0,1,0,0,0,0|1,2,0]=4 123 B8R1.1 OCC1=CN=C(Cl)S1 W3166 [0,1,0,0,0,0|1,2,0]=4 124 B8R1.1 OCC1=CSC(Br)=N1 W6686 [0,1,0,0,0,0|2,1,0]=4 125 B8R1.7 CC(C)=C1C=CC=C1 1050AB [0,1,0,0,0,0|2,0,1]=4 126 B8R1.7 CC(C)C1=CC=CO1 U090 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.7 CC(N)C1=COC=C1 2007AB [0,1,0,0,0,0|3,0,0]=4 128 B8R1.7 CC(N)C1=NC=CS1 V9472 [0,1,0,0,0,0|2,1,0]=4 129 B8R1.7 CC(N)C1=NC=CS1 W6267 [0,1,0,0,0,0|2,1,0]=4 130 B8R1.7 N=C(N)C1=CC=CS1 7913AB [0,1,0,0,0,0|1,1,1]=4 131 B8R1.7 NC(=O)C1=CC=CS1 X6987 [0,1,0,0,0,0|0,2,1]=4 132 B8R1.7 NC(=O)C1=NC=CO1 4142AC [0,1,0,0,0,0|1,1,1]=4 133 B8R1.7 NC(=S)C1=CC=CO1 5874AD [0,1,0,0,0,0|0,0,2]=3 134 B8R1.7 O=C(O)C1=CC=CN1 Q622 [0,1,0,0,0,0|1,1,1]=4 135 B8R1.7 O=C(O)C1=CN=CO1 X4661 [0,1,0,0,0,0|1,1,1]=4 136 B8R1.7 O=C([O-])C1=CC=CS1 Z2610 [0,1,0,0,0,0|0,2,1]=4 137 B8R1.7 O=[N+]([O-])C1=CC=CN1 W7207 [0,1,0,0,0,0|2,1,0]=4 138 B8R1.7 O=[N+]([O-])C1=CC=CS1 L329 [0,1,0,0,0,0|1,2,0]=4 139 B8R1.8 CCCC1=NC=CS1 9241AA [0,1,0,0,0,0|2,1,0]=4 140 B8R1.8 CCCN1C=CC=N1 Z0507 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.8 CNCC1=CC=CS1 V7562 [0,1,0,0,0,0|1,1,0]=3 142 B8R1.8 CNCC1=CC=CS1 W7142 [0,1,0,0,0,0|1,1,0]=3 143 B8R1.8 CSCC1=CC=CO1 9711AJ [0,1,0,0,0,0|0,0,0]=1 144 B8R1.8 ClCCN1C=CC=N1 X5413 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.8 NCCC1=CN=CN1 Y9749 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.8 NCCC1=CSC=C1 Y8818 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.8 NCCC1=NC=CS1 Y1661 [0,1,0,0,0,0|2,1,0]=4 148 B8R1.8 NCCC1=NC=CS1 Y8064 [0,1,0,0,0,0|2,1,0]=4 149 B8R1.8 OCCC1=CNC=N1 W8955 [0,1,0,0,0,0|2,1,0]=4 150 B8R1.8 OCCN1C=CC=N1 V7005 [0,1,0,0,0,0|2,1,0]=4 151 B8R1.8 ON\C=C1/C=CC=N1 0268AE [0,1,0,0,0,0|1,1,1]=4 152 B8R1.11 BrCC1=C(Br)SC=C1 5296AB [0,1,0,0,0,0|3,0,0]=4 153 B8R1.11 CC1=C(C#N)SC=C1 V6586 [0,1,0,0,0,0|1,1,1]=4 154 B8R1.11 CC1=C(C=O)NC=C1 1713AB [0,1,0,0,0,0|1,1,1]=4 155 B8R1.11 CC1=C(CO)N=CN1 3032AB [0,1,0,0,0,0|2,1,0]=4 156 B8R1.11 CN1C=CC=C1CN Y9856 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.11 CN1C=CN=C1CCl 9984AA [0,1,0,0,0,0|3,0,0]=4 158 B8R1.11 CN1C=NC=C1CO Y8968 [0,1,0,0,0,0|2,1,0]=4 159 B8R1.11 CN1N=CC=C1CCl 0463AF [0,1,0,0,0,0|3,0,0]=4 160 B8R1.11 CN1N=CC=C1CCl 6276AJ [0,1,0,0,0,0|3,0,0]=4 161 B8R1.11 CN1N=CC=C1CN Y5590 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.11 N#CC1=C(Cl)C=CS1 4491AD [0,1,0,0,0,0|1,1,1]=4 163 B8R1.11 N#CC1=CC=CN1N W3457 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.11 O=CC1=C(Cl)C=CS1 V7231 [0,1,0,0,0,0|0,2,1]=4 165 B8R1.11 OCC1=C(Br)C=CS1 1100AL [0,1,0,0,0,0|0,2,0]=3 166 B8R1.11 OCC1=C(Br)N=CS1 W4969 [0,1,0,0,0,0|1,2,0]=4 167 B6R0.1 C=COC(=O)CC 7389AF [0,0,1,0,0,0|2,0,0]=3 168 B6R0.1 C\C=C\C(=O)CC 2730AL [0,0,1,0,0,0|1,0,2]=4 169 B6R0.6 C\C=C\C=C\CO X5865 [0,0,1,0,0,0|1,1,0]=3 170 B8R1.2 BrCC1=CC=NC=C1 Y7030 [0,0,0,0,0,1|2,0,0]=3 171 B8R1.2 BrCC1=NC=CN=C1 5266AJ [0,0,0,0,0,1|2,0,0]=3 172 B8R1.2 C#CC1=NC=CC=N1 W5876 [0,0,0,0,0,1|2,0,1]=4 173 B8R1.2 CNC1=NC=CN=C1 3544AB [0,0,0,0,0,1|3,0,0]=4 174 B8R1.2 COC1=CC=NC=N1 Y3333 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.2 COC1=CCC=CC1 Y5373 [0,0,0,0,0,1|3,0,0]=4 176 B8R1.2 CSC1=NC=CC=C1 L314 [0,0,0,0,0,1|3,0,0]=4 177 B8R1.2 CSC1=NC=CC=N1 X0139 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.2 ClCC1=CN=CC=N1 0741AB [0,0,0,0,0,1|2,0,0]=3 179 B8R1.2 ClCC1=NC=CC=N1 W6849 [0,0,0,0,0,1|2,0,0]=3 180 B8R1.2 Cl[Hg]C1=CC=CC=C1 7627AF [0,0,0,0,0,1|3,0,0]=4 181 B8R1.2 N#CC1=CC=CC=C1 E085 [0,0,0,0,0,1|2,0,1]=4 182 B8R1.2 N#CC1=CC=CN=N1 7702AB [0,0,0,0,0,1|2,0,1]=4 183 B8R1.2 NCC1=CC=NC=C1 Z3385 [0,0,0,0,0,1|2,0,0]=3 184 B8R1.2 NCC1=CN=CN=C1 W4845 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.2 NCC1=NC=CN=C1 W5959 [0,0,0,0,0,1|2,0,0]=3 186 B8R1.2 NCC1=NC=NC=C1 9281AB [0,0,0,0,0,1|2,0,0]=3 187 B8R1.2 NNC1=CC=CN=C1 Z1664 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.2 NNC1=NC=CC=N1 W8254 [0,0,0,0,0,1|3,0,0]=4 189 B8R1.2 NNC1=NN=CC=C1 X0228 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.2 O=CC1=CC=NC=N1 W4791 [0,0,0,0,0,1|1,1,1]=4 191 B8R1.2 OCC1=CC=NC=N1 W5525 [0,0,0,0,0,1|1,1,0]=3 192 B8R1.2 OCC1=CN=CN=C1 W4842 [0,0,0,0,0,1|2,1,0]=4 193 B8R1.2 OCC1=CN=NC=C1 7045AB [0,0,0,0,0,1|2,1,0]=4 194 B8R1.2 OCC1=NC=CC=N1 W6241 [0,0,0,0,0,1|1,1,0]=3 195 B5R0.1 C=CNC(C)=O 8689AL [1,0,1,0,0,0|1,0,1]=4 196 B5R0.2 CC\C=C/CO 3214AL [1,0,1,0,0,0|0,0,2]=4 197 B5R0.2 C\C=C\C=C\C 5333AL [1,0,1,0,0,0|1,0,0]=3 198 B5R0.3 C=CC(O)CC 7733AJ [1,0,1,0,0,0|1,0,1]=4 199 B5R0.3 C=CC(O)CO V0531 [1,0,1,0,0,0|0,1,1]=4 200 B5R1.1 C1=CNC=N1 8065AL [2,0,0,0,0,0|2,0,0]=4 201 B5R1.1 C1=C[Se]C=C1 9056AJ [2,0,0,0,0,0|0,1,0]=3 202 B7R0.3 CCC(O)\C=C\C=O 1086AH [0,1,1,0,0,0|1,0,1]=4 203 B7R0.1 CC\C=C\C=C\CO 3900AB [0,1,1,0,0,0|1,0,0]=3 204 B7R1.2 CC1=CC(Br)=NO1 2132AB [1,1,0,0,0,0|1,0,0]=3 205 B7R1.2 CC1=CC(Cl)=NN1 Y7686 [1,1,0,0,0,0|2,0,0]=4 206 B7R1.2 CC1=CC(I)=NN1 5774AC [1,1,0,0,0,0|2,0,0]=4 207 B7R1.2 CC1=CC(N)=NN1 2288AA [1,1,0,0,0,0|2,0,0]=4 208 B7R1.2 CC1=CC=C(C)N1 9441AB [1,1,0,0,0,0|1,0,0]=3 209 B7R1.2 CC1=CC=C(I)S1 Z5470 [1,1,0,0,0,0|0,1,0]=3 210 B7R1.2 CC1=CN=C(Cl)S1 W5507 [1,1,0,0,0,0|1,1,0]=4 211 B7R1.2 CC1=CN=C(I)N1 1451AC [1,1,0,0,0,0|2,0,0]=4 212 B7R1.2 CC1=CNC(Br)=N1 Y8369 [1,1,0,0,0,0|2,0,0]=4 213 B7R1.2 CC1=COC(N)=N1 W5715 [1,1,0,0,0,0|2,0,0]=4 214 B7R1.2 CC1=CSC(Br)=C1 7530AB [1,1,0,0,0,0|1,1,0]=4 215 B7R1.2 CC1=CSC(Br)=N1 W8107 [1,1,0,0,0,0|2,0,0]=4 216 B7R1.2 CC1=CSC(C)=C1 X6352 [1,1,0,0,0,0|0,1,0]=3 217 B7R1.2 CC1=CSC(Cl)=N1 Y8510 [1,1,0,0,0,0|2,0,0]=4 218 B7R1.2 CC1=CSC(N)=N1 9210AB [1,1,0,0,0,0|2,0,0]=4 219 B7R1.2 CC1=NC(Br)=CS1 X4179 [1,1,0,0,0,0|1,1,0]=4 220 B7R1.2 CC1=NC(Br)=NO1 2584AD [1,1,0,0,0,0|2,0,0]=4 221 B7R1.2 CC1=NC(I)=CN1 W8177 [1,1,0,0,0,0|2,0,0]=4 222 B7R1.2 CC1=NC(N)=NO1 5458AB [1,1,0,0,0,0|2,0,0]=4 223 B7R1.2 CC1=NN=C(N)O1 X7978 [1,1,0,0,0,0|2,0,0]=4 224 B7R1.2 CC1=NSC(Br)=C1 0520AB [1,1,0,0,0,0|2,0,0]=4 225 B7R1.2 CN1C=C(Cl)C=N1 W5738 [1,1,0,0,0,0|2,0,0]=4 226 B7R1.2 CN1C=C(O)C=N1 Y5106 [1,1,0,0,0,0|2,0,0]=4 227 B7R1.2 CN1C=CC(=O)N1 7479AB [1,1,0,0,0,0|2,0,0]=4 228 B7R1.2 CN1C=CC(Br)=N1 W3298 [1,1,0,0,0,0|2,0,0]=4 229 B7R1.2 CN1C=CC(I)=N1 X5406 [1,1,0,0,0,0|2,0,0]=4 230 B7R1.2 ClC1=CC=C(Cl)S1 Z5505 [1,1,0,0,0,0|1,1,0]=4 231 B7R1.2 IC1=CC=C(I)S1 L094 [1,1,0,0,0,0|1,1,0]=4 232 B7R1.4 CC1=C(Br)C=NO1 0948AC [1,1,0,0,0,0|1,0,0]=3 233 B7R1.4 CC1=C(Br)N=CS1 5945AA [1,1,0,0,0,0|1,1,0]=4 234 B7R1.4 CC1=C(Br)SC=N1 Y7050 [1,1,0,0,0,0|2,0,0]=4 235 B7R1.4 CC1=C(C)NC=N1 7566AB [1,1,0,0,0,0|2,0,0]=4 236 B7R1.4 CC1=C(C)OC=C1 5235AL [1,1,0,0,0,0|0,0,0]=2 237 B7R1.4 CC1=CSC=C1N 1699AB [1,1,0,0,0,0|2,0,0]=4 238 B7R1.4 CC1=NNC=C1N Z7407 [1,1,0,0,0,0|2,0,0]=4 239 B7R1.4 CN1N=CC=C1Br X2128 [1,1,0,0,0,0|2,0,0]=4 240 B7R1.4 CN1N=CC=C1O 3947AB [1,1,0,0,0,0|2,0,0]=4 241 B7R1.4 CN1NC=CC1=O 3785AB [1,1,0,0,0,0|2,0,0]=4 242 B7R1.4 ClC1=C(Br)SC=C1 2211AC [1,1,0,0,0,0|1,1,0]=4 243 B7R1.4 ClC1=C(Cl)SC=C1 U562 [1,1,0,0,0,0|1,1,0]=4 244 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [0,1,0,0,0,1|1,0,0]=3 245 B9R1.1 CC1=CN=C(CCl)C=C1 Y5002 [0,1,0,0,0,1|2,0,0]=4 246 B9R1.1 CC1=CN=C(CO)C=C1 1457AB [0,1,0,0,0,1|1,1,0]=4 247 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.1 CCC1=CC=C(Br)N=C1 0198AB [0,1,0,0,0,1|2,0,0]=4 249 B9R1.1 CCC1=CC=C(Cl)C=C1 6872AE [0,1,0,0,0,1|2,0,0]=4 250 B9R1.1 CCC1=CC=C(F)C=C1 W6384 [0,1,0,0,0,1|2,0,0]=4 251 B9R1.1 CCC1=CN=C(N)C=C1 Y5080 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.1 CCC1=NC=C(Br)C=C1 W5934 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.1 ClC1=NC=C(CBr)C=C1 X4352 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [0,1,0,0,0,1|2,0,0]=4 255 B9R1.1 ClCC1=NN=C(Cl)C=C1 Z2720 [0,1,0,0,0,1|2,0,0]=4 256 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [0,1,0,0,0,1|2,0,0]=4 257 B9R1.1 NCC1=CC=C(Br)N=C1 X9441 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.1 NCC1=CC=C(N)C=N1 2034AC [0,1,0,0,0,1|2,0,0]=4 259 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [0,1,0,0,0,1|2,0,0]=4 260 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [0,1,0,0,0,1|2,0,0]=4 261 B9R1.1 NCC1=CN=C(F)C=C1 0174AP [0,1,0,0,0,1|2,0,0]=4 262 B9R1.1 NCC1=NC=C(Cl)C=C1 Y9067 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.1 OCC1=NC=C(Br)C=N1 Z4443 [0,1,0,0,0,1|1,1,0]=4 264 B9R1.1 OCC1=NC=C(Cl)C=C1 Y8215 [0,1,0,0,0,1|1,1,0]=4 265 B9R1.1 OCC1=NC=C(Cl)N=C1 W8125 [0,1,0,0,0,1|1,1,0]=4 266 B9R1.1 OCC1=NC=C(F)C=C1 W8534 [0,1,0,0,0,1|1,1,0]=4 267 B9R1.1 [O-][N+]1=CC=C(CO)C=C1 1337AQ [0,1,0,0,0,1|1,1,0]=4 268 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.2 CC1=CC(CN)=NC=C1 4854AH [0,1,0,0,0,1|2,0,0]=4 270 B9R1.2 CC1=CC=CC(CCl)=N1 W5316 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.2 CC1=CC=CC(CN)=N1 W7727 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.2 CC1=CN=CC(CCl)=C1 X8521 [0,1,0,0,0,1|2,0,0]=4 273 B9R1.2 CC1=CN=CC(CO)=C1 W9908 [0,1,0,0,0,1|1,1,0]=4 274 B9R1.2 CC1=NC(CCl)=CC=C1 W9926 [0,1,0,0,0,1|2,0,0]=4 275 B9R1.2 CC1=NC(CN)=CC=C1 3382AC [0,1,0,0,0,1|2,0,0]=4 276 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,1,0,0,0,1|2,0,0]=4 277 B9R1.2 CC1=NC=CC(CO)=C1 X8748 [0,1,0,0,0,1|1,1,0]=4 278 B9R1.2 CCC1=CN=CC(Br)=C1 W3099 [0,1,0,0,0,1|2,0,0]=4 279 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [0,1,0,0,0,1|2,0,0]=4 280 B9R1.2 ClCC1=CC(Cl)=NC=C1 W9907 [0,1,0,0,0,1|2,0,0]=4 281 B9R1.2 ClCC1=CC(I)=CC=C1 8955AB [0,1,0,0,0,1|2,0,0]=4 282 B9R1.2 ClCC1=CC=CC(Br)=N1 5484AJ [0,1,0,0,0,1|2,0,0]=4 283 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.2 ClCC1=NC=CC(Cl)=C1 0456AA [0,1,0,0,0,1|2,0,0]=4 285 B9R1.2 ClCC1=NC=CC(Cl)=C1 3322AA [0,1,0,0,0,1|2,0,0]=4 286 B9R1.2 NC1=CC(CCl)=CC=N1 3076AA [0,1,0,0,0,1|2,0,0]=4 287 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [0,1,0,0,0,1|2,0,0]=4 288 B9R1.2 NC1=CC=CC(CO)=N1 2443AC [0,1,0,0,0,1|1,1,0]=4 289 B9R1.2 NCC1=CC(Br)=NC=C1 Z5201 [0,1,0,0,0,1|2,0,0]=4 290 B9R1.2 NCC1=CC(Cl)=NC=C1 Y5114 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.2 NCC1=NC(Cl)=CC=C1 9828AA [0,1,0,0,0,1|2,0,0]=4 292 B9R1.2 NCC1=NC=CC(Cl)=C1 2441AA [0,1,0,0,0,1|2,0,0]=4 293 B9R1.2 NCC1=NC=CC(Cl)=C1 W3925 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [0,1,0,0,0,1|1,1,0]=4 295 B9R1.2 OCC1=CC(F)=NC=C1 Y5012 [0,1,0,0,0,1|1,1,0]=4 296 B9R1.2 OCC1=CC=CC(F)=N1 V5103 [0,1,0,0,0,1|1,1,0]=4 297 B9R1.2 OCC1=CC=CC(I)=C1 W7081 [0,1,0,0,0,1|1,1,0]=4 298 B9R1.2 OCC1=CN=CC(F)=C1 1380AB [0,1,0,0,0,1|1,1,0]=4 299 B9R1.2 OCC1=NC(Cl)=CN=C1 Z4013 [0,1,0,0,0,1|1,1,0]=4 300 B9R1.6 CC(Br)C1=NC=CN=C1 5526AC [0,1,0,0,0,1|2,0,0]=4 301 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [0,1,0,0,0,1|2,0,0]=4 302 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [0,1,0,0,0,1|2,0,0]=4 303 B9R1.6 CC(N)C1=CC=NC=C1 W3800 [0,1,0,0,0,1|2,0,0]=4 304 B9R1.6 CC(N)C1=CC=NC=C1 W6570 [0,1,0,0,0,1|2,0,0]=4 305 B9R1.6 CC(N)C1=NC=CN=C1 Z2224 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [0,1,0,0,0,1|1,1,0]=4 307 B9R1.6 C[C@@H](N)C1=CC=NC=C1 4791AJ [0,1,0,0,0,1|2,0,0]=4 308 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [0,1,0,0,0,1|2,0,0]=4 309 B9R1.6 C[C@@H](O)C1=CC=NC=C1 2673AB [0,1,0,0,0,1|1,1,0]=4 310 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,1,0,0,0,1|1,1,0]=4 311 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [0,1,0,0,0,1|2,0,0]=4 312 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.6 C[C@H](O)C1=CC=NC=C1 7927AB [0,1,0,0,0,1|1,1,0]=4 314 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,1,0,0,0,1|1,1,0]=4 315 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [0,1,0,0,0,1|1,1,0]=4 316 B9R1.6 FC(F)C1=CC=CC=C1 X8304 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.6 FC(F)C1=CC=CC=N1 2389AA [0,1,0,0,0,1|2,0,0]=4 318 B9R1.6 FC(F)C1=CN=CC=C1 9427AE [0,1,0,0,0,1|2,0,0]=4 319 B9R1.8 BrCCC1=NC=CC=C1 W8132 [0,1,0,0,0,1|2,0,0]=4 320 B9R1.8 CCCC1=NC=CC=C1 C946 [0,1,0,0,0,1|2,0,0]=4 321 B9R1.8 CCCC1=NC=CN=C1 6087AD [0,1,0,0,0,1|2,0,0]=4 322 B9R1.8 CCNC1=CC=CC=N1 5047AL [0,1,0,0,0,1|2,0,0]=4 323 B9R1.8 CCOC1=NN=CC=C1 W7464 [0,1,0,0,0,1|2,0,0]=4 324 B9R1.8 CNCC1=CN=CC=C1 7435AH [0,1,0,0,0,1|2,0,0]=4 325 B9R1.8 COCC1=CC=CN=C1 5231AH [0,1,0,0,0,1|1,1,0]=4 326 B9R1.8 COCC1=CC=NC=C1 5493AH [0,1,0,0,0,1|1,1,0]=4 327 B9R1.8 COCC1=NC=CC=C1 V2195 [0,1,0,0,0,1|1,1,0]=4 328 B9R1.8 CSCC1=CC=CC=C1 7914AF [0,1,0,0,0,1|1,0,0]=3 329 B9R1.8 ClCCC1=NC=CC=C1 W3687 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.8 ICCC1=CC=CC=C1 4037AL [0,1,0,0,0,1|2,0,0]=4 331 B9R1.8 N#CCC1=NC=CN=C1 7112AB [0,1,0,0,0,1|2,0,0]=4 332 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,1,0,0,0,1|2,0,0]=4 333 B9R1.8 NCCC1=CC=CN=C1 9756AD [0,1,0,0,0,1|2,0,0]=4 334 B9R1.8 NCCC1=CC=CN=C1 W8702 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.8 NCCC1=CC=NC=C1 W7604 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.8 NNCC1=CC=NC=C1 2364AF [0,1,0,0,0,1|2,0,0]=4 337 B9R1.8 OCCC1=CC=CC=C1 V0900 [0,1,0,0,0,1|1,1,0]=4 338 B9R1.8 OCCC1=CC=CN=C1 Y9667 [0,1,0,0,0,1|1,1,0]=4 339 B9R1.8 OCCC1=CC=NC=C1 6680AL [0,1,0,0,0,1|1,1,0]=4 340 B9R1.8 ONCC1=CC=CC=C1 9353AB [0,1,0,0,0,1|1,1,0]=4 341 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 Y9586 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.15 BrCC1=CC=CN=C1Br Y4790 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.15 CC1=C(CCl)N=CC=C1 6035AB [0,1,0,0,0,1|2,0,0]=4 345 B9R1.15 CC1=C(CN)N=CC=C1 7725AA [0,1,0,0,0,1|2,0,0]=4 346 B9R1.15 CC1=C(CO)C=NC=C1 6388AB [0,1,0,0,0,1|1,1,0]=4 347 B9R1.15 CC1=C(CO)N=CC=C1 9578AB [0,1,0,0,0,1|1,1,0]=4 348 B9R1.15 CC1=CC=CN=C1CCl Z4758 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.15 CC1=CC=CN=C1CN Y7623 [0,1,0,0,0,1|2,0,0]=4 350 B9R1.15 CC1=CC=NC=C1CN 4365AD [0,1,0,0,0,1|2,0,0]=4 351 B9R1.15 CCC1=C(Br)C=CC=N1 5014AB [0,1,0,0,0,1|2,0,0]=4 352 B9R1.15 CCC1=C(Br)C=NC=N1 V9538 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.15 CCC1=CC=CC=C1Cl 2607AF [0,1,0,0,0,1|2,0,0]=4 354 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [0,1,0,0,0,1|2,0,0]=4 355 B9R1.15 CCC1=CC=CN=C1N 5897AB [0,1,0,0,0,1|2,0,0]=4 356 B9R1.15 CCC1=NC=CN=C1Cl 9678AB [0,1,0,0,0,1|2,0,0]=4 357 B9R1.15 ClCC1=NC=CC=C1Br V3162 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.15 ClCC1=NC=CC=C1Cl 9689AA [0,1,0,0,0,1|2,0,0]=4 359 B9R1.15 FC1=CC=CN=C1CCl V3424 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.15 NC1=C(CO)C=CN=C1 Z2696 [0,1,0,0,0,1|1,1,0]=4 361 B9R1.15 NCC1=C(Br)C=NC=C1 4743AJ [0,1,0,0,0,1|2,0,0]=4 362 B9R1.15 NCC1=C(Cl)C=CC=N1 6797AB [0,1,0,0,0,1|2,0,0]=4 363 B9R1.15 NCC1=C(I)C=CC=C1 5274AB [0,1,0,0,0,1|2,0,0]=4 364 B9R1.15 NCC1=NC=CC=C1F 3344AB [0,1,0,0,0,1|2,0,0]=4 365 B9R1.15 NCC1=NC=CN=C1Cl W8381 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.15 NCC1=NC=CN=C1Cl W9640 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.15 OCC1=C(Br)C=NC=C1 W3202 [0,1,0,0,0,1|1,1,0]=4 368 B9R1.15 OCC1=C(Cl)C=CN=C1 Z4482 [0,1,0,0,0,1|1,1,0]=4 369 B9R1.15 OCC1=C(S)C=CC=C1 3883AE [0,1,0,0,0,1|1,1,0]=4 370 B9R1.15 OCC1=NC=CC=C1F W5329 [0,1,0,0,0,1|1,1,0]=4 371 B9R1.15 OCC1=NC=CC=C1O V3086 [0,1,0,0,0,1|1,1,0]=4 372 B9R1.7 CCOC1C=CC(=O)O1 2768AB [0,2,0,0,0,0|1,0,1]=4 373 B9R1.7 CNCC1=CC=C(C)O1 7273AA [0,2,0,0,0,0|1,0,0]=3 374 B9R1.7 NCCC1=CC=C(Br)S1 1208AJ [0,2,0,0,0,0|1,1,0]=4 375 B9R1.21 CCC1=NOC(CO)=C1 4493AD [0,2,0,0,0,0|1,1,0]=4 376 B9R1.21 N#CC1=CC=C(CBr)S1 Z4102 [0,2,0,0,0,0|1,1,0]=4 377 B9R1.35 CC(C)C1=CC(N)=NO1 Z2690 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.35 NC(=O)C1=CC(Br)=CO1 6539AC [0,2,0,0,0,0|0,1,1]=4 379 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,2,0,0,0,0|0,1,1]=4 380 B9R1.35 O=C(O)C1=CC(Br)=CO1 Z4623 [0,2,0,0,0,0|0,1,1]=4 381 B9R1.11 CCC(=O)C1=CC=CN1 2175AL [0,2,0,0,0,0|2,0,0]=4 382 B9R1.11 CSC(=O)C1=CC=CO1 9771AJ [0,2,0,0,0,0|0,0,1]=3 383 B9R1.11 O=C(CBr)C1=CC=CN1 Z2515 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.11 O=C(CBr)C1=CC=CS1 Y6915 [0,2,0,0,0,0|1,1,0]=4 385 B9R1.41 O=C(O)C1=C(Br)C=CO1 Z5464 [0,2,0,0,0,0|0,1,1]=4 386 B9R1.12 CCCCC1=CC=CS1 Z5462 [0,2,0,0,0,0|1,1,0]=4 387 B9R1.12 CCNCC1=CC=CS1 V6759 [0,2,0,0,0,0|1,1,0]=4 388 B9R1.12 CCOCC1=CC=CO1 Z4965 [0,2,0,0,0,0|0,1,0]=3 389 B9R1.12 OCCCC1=CC=CS1 X0200 [0,2,0,0,0,0|0,2,0]=4 390 B9R1.13 CN(C)CC1=CC=CN1 4514AD [0,2,0,0,0,0|2,0,0]=4 391 B9R1.13 O=C(O)CC1=CC=CO1 V2403 [0,2,0,0,0,0|0,1,0]=3 392 B7R1.24 C1=CC=CCC=C1 7866AB [0,0,1,1,0,0|2,0,0]=4 393 B9R2.50 C1=CC2=C(C=C1)CC2 M026 [0,0,0,1,0,1|2,0,0]=4