0 B7R1.1 BrCC1=CSC=N1 YH05414 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 BrCC1=NC=CN1 RT8753 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 C#CC1=CSC=C1 HL4323 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 CCC1=CC=CS1 XJ1420 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.1 CCC1=NC=CN1 LT6532 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 CCN1C=NC=N1 JZ5098 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 COC1=CC=CO1 XJ4809 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.1 COC1=NC=CS1 JZ1049 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CSC1=NC=CS1 JZ0965 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 ClCC1=CC=CS1 LT1710 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.1 ClCC1=NC=CO1 YH65723 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.1 N#CC1=CC=CS1 HL0573 [0,0,0,0,0,0|1,0,1]=2 12 B7R1.1 N#CC1=COC=C1 XJ5045 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.1 N#CC1=NOC=C1 YH13980 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.1 NCC1=CC=CO1 RT4371 [0,0,0,0,0,0|1,1,0]=2 15 B7R1.1 NCC1=CC=CS1 LT5820 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.1 NCC1=CSC=C1 YH51468 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 NCC1=NC=CO1 YH92552 [0,0,0,0,0,0|2,1,0]=3 18 B7R1.1 NCC1=NC=NN1 YH08493 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.1 O=CC1=CC=CN1 HL3957 [0,0,0,0,0,0|1,0,2]=3 20 B7R1.1 O=CC1=CC=CN1 RT5965 [0,0,0,0,0,0|1,0,2]=3 21 B7R1.1 O=CC1=CC=CS1 LT6658 [0,0,0,0,0,0|0,0,2]=2 22 B7R1.1 O=CC1=CC=NN1 YH58836 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.1 O=CC1=CC=NS1 YH05211 [0,0,0,0,0,0|1,0,2]=3 24 B7R1.1 O=CC1=CNC=N1 LX3143 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.1 O=CC1=CSC=C1 LT0654 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.1 O=CC1=NC=CN1 RT10129 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.1 O=CC1=NOC=C1 YH93674 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.1 OCC1=CC=CN1 RT14126 [0,0,0,0,0,0|1,0,0]=1 29 B7R1.1 OCC1=CC=CO1 XJ0217 [0,0,0,0,0,0|0,1,0]=1 30 B7R1.1 OCC1=CN=CS1 LT6037 [0,0,0,0,0,0|1,0,0]=1 31 B7R1.1 OCC1=CNC=C1 RT14164 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.1 OCC1=CNC=N1 LT5215 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.1 OCC1=CNC=N1 LT6077 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.1 OCC1=CSC=C1 LT2643 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.1 OCC1=NC=CN1 YH57629 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.1 OCC1=NC=CS1 LQ3757 [0,0,0,0,0,0|1,0,0]=1 37 B7R1.1 OCC1=NNC=C1 JZ5592 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.1 OCC1CC=CC1 YH65504 [0,0,0,0,0,0|1,0,2]=3 39 B7R1.1 SCC1=CC=CO1 LL2412 [0,0,0,0,0,0|0,2,0]=2 40 B7R1.1 [Na]SC1=CN=NS1 YH90687 [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 BrC1=CC=CO1 XJ1019 [1,0,0,0,0,0|1,1,0]=3 42 B6R1.2 BrC1=CC=CS1 LT0578 [1,0,0,0,0,0|1,0,0]=2 43 B6R1.2 BrC1=CC=NS1 YH06358 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 BrC1=CN=CS1 HL2419 [1,0,0,0,0,0|2,0,0]=3 45 B6R1.2 BrC1=CNC=N1 HL2203 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 BrC1=COC=C1 JZ5489 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 BrC1=CSC=C1 LT6206 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 BrC1=NC=CO1 RT14562 [1,0,0,0,0,0|2,1,0]=4 49 B6R1.2 BrC1=NC=CS1 HL2418 [1,0,0,0,0,0|2,0,0]=3 50 B6R1.2 BrC1=NC=NS1 YH01463 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 BrC1=NNC=C1 YH35048 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 BrC1=NSC=C1 YH06973 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 CC1=CC=CC1 LQ4531 [1,0,0,0,0,0|1,0,0]=2 54 B6R1.2 CC1=CC=CO1 RT14148 [1,0,0,0,0,0|0,1,0]=2 55 B6R1.2 CC1=CC=CS1 HL0035 [1,0,0,0,0,0|0,0,0]=1 56 B6R1.2 CC1=CC=NO1 XJ2996 [1,0,0,0,0,0|1,1,0]=3 57 B6R1.2 CC1=CN=CS1 JZ2359 [1,0,0,0,0,0|1,0,0]=2 58 B6R1.2 CC1=CNC=C1 YH10214 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 CC1=CNC=N1 RT8712 [1,0,0,0,0,0|2,0,0]=3 60 B6R1.2 CC1=CNN=C1 LX2319 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 CC1=CNN=N1 YH65775 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 CC1=COC=C1 LQ1543 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 CC1=CSC=C1 LT0736 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 CC1=CSC=C1 LT6829 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 CC1=CSC=N1 JZ1146 [1,0,0,0,0,0|2,0,0]=3 66 B6R1.2 CC1=NC=CN1 RT6736 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 CC1=NC=CS1 LT1779 [1,0,0,0,0,0|1,0,0]=2 68 B6R1.2 CC1=NNC=N1 YH15428 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 CC1N=CCS1 LT2114 [1,0,0,0,0,0|1,0,2]=4 70 B6R1.2 CN1C=CC=N1 LQ1547 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 CN1C=CN=C1 RT14814 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 CN1C=NC=N1 JZ2858 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 ClC1=CC=CS1 LL0241 [1,0,0,0,0,0|1,0,0]=2 74 B6R1.2 ClC1=CN=CN1 JZ5089 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 ClC1=CN=NS1 XJ2632 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 ClC1=CSC=C1 LT6771 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 ClC1=NC=CS1 YH39640 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 FC1=CC=CS1 YH59293 [1,0,0,0,0,0|1,0,0]=2 79 B6R1.2 IC1=CC=CS1 LQ2449 [1,0,0,0,0,0|1,0,0]=2 80 B6R1.2 IC1=CSC=C1 LQ3435 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 IC1=NC=CN1 LT6074 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 NC1=CC=CS1 LQ1192 [1,0,0,0,0,0|1,0,0]=2 83 B6R1.2 NC1=CN=CS1 JZ5184 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 NC1=CN=NS1 XJ2617 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 NC1=CNC=N1 XJ2788 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 NC1=CSC=C1 JZ5185 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 NC1=CSC=C1 LX2986 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 NC1=CSC=N1 YH65483 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 NC1=NC=CN1 JZ3169 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 NC1=NC=CN1 M0300317 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 NC1=NC=CS1 XJ5842 [1,0,0,0,0,0|2,0,0]=3 92 B6R1.2 NC1=NNC=C1 LT6717 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 NC1=NOC=C1 JZ4770 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 NC1=NOC=C1 YH02226 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 O=C1C=CCC1 LQ1544 [1,0,0,0,0,0|1,0,2]=4 96 B6R1.2 O=C1C=CCN1 RT14585 [1,0,0,0,0,0|1,0,2]=4 97 B6R1.2 O=C1C=CCO1 XJ0818 [1,0,0,0,0,0|0,1,2]=4 98 B6R1.2 O=C1OC=CO1 XJ1417 [1,0,0,0,0,0|1,1,1]=4 99 B6R1.2 OC1=NOC=C1 RT14361 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 OC1CC=CC1 XJ4083 [1,0,0,0,0,0|1,0,2]=4 101 B6R1.2 S=C1C=CSS1 RT14520 [1,0,0,0,0,0|1,1,0]=3 102 B6R1.2 S=C1SC=CS1 LQ1546 [1,0,0,0,0,0|1,1,0]=3 103 B6R1.2 SC1=CC=CS1 JZ3241 [1,0,0,0,0,0|0,1,0]=2 104 B6R1.2 SC1=NC=CN1 XJ1416 [1,0,0,0,0,0|2,1,0]=4 105 B6R1.2 SC1=NN=CS1 LT6572 [1,0,0,0,0,0|2,1,0]=4 106 B6R1.2 [Co]C1C=CC=C1 LQ3485 [1,0,0,0,0,0|2,0,1]=4 107 B6R1.2 [Mn]C1C=CC=C1 LT4683 [1,0,0,0,0,0|2,0,1]=4 108 B6R1.2 [Mo+4]C1=CC=CC1 XJ5999 [1,0,0,0,0,0|2,0,0]=3 109 B6R1.2 [Ti+3]C1=CC=CC1 XJ1684 [1,0,0,0,0,0|2,0,0]=3 110 B6R1.2 [TlH2]C1=CC=CC1 XJ5195 [1,0,0,0,0,0|2,0,0]=3 111 B6R1.2 [Zr+3]C1=CC=CC1 XJ5181 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.1 C=CC1=NC(C)=CS1 LT1724 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.1 CC1=CC(CO)=NO1 YH56334 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [0,1,0,0,0,0|0,0,2]=3 115 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [0,1,0,0,0,0|0,0,2]=3 116 B8R1.1 CC1=CSC(C=O)=N1 YH33412 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.1 CC1=NC=C(C=O)S1 YH20366 [0,1,0,0,0,0|1,0,2]=4 118 B8R1.1 CC1=NN=C(CCl)S1 YH17197 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.1 CC1=NOC(CO)=C1 YH35431 [0,1,0,0,0,0|1,1,0]=3 120 B8R1.1 CCC1=CN=C(N)S1 YH58784 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.1 CCC1=NC(Br)=CN1 YH65474 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CCC1=NC(C)=CN1 YH96350 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 CN1C=C(CO)C=N1 YH25019 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 CN1C=CC(CO)=N1 YH88989 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.1 CN1C=NC(CO)=N1 YH32685 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 COC1=CN=C(C)S1 LT1946 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.1 ClCC1=CC=C(Cl)S1 XJ4740 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.1 ClCC1=CN=C(Cl)S1 CJ3020 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 N#CC1=CC=C(Br)S1 YH46505 [0,1,0,0,0,0|1,0,1]=3 130 B8R1.1 NC1=NC=C(C=O)S1 HL0577 [0,1,0,0,0,0|1,0,2]=4 131 B8R1.1 NC1=NC=C(CO)S1 RT4658 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.1 NCC1=CN=C(Cl)S1 YH28200 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.1 O=C1C=C[C@H](CO)O1 LL1404 [0,1,0,0,0,0|0,1,1]=3 134 B8R1.1 O=CC1=CC(Br)=CN1 RT4583 [0,1,0,0,0,0|1,0,2]=4 135 B8R1.1 O=CC1=CC(Br)=CO1 JZ5461 [0,1,0,0,0,0|0,1,2]=4 136 B8R1.1 O=CC1=CC(Br)=CS1 LQ4096 [0,1,0,0,0,0|0,0,2]=3 137 B8R1.1 O=CC1=CC=C(Br)O1 RT15017 [0,1,0,0,0,0|0,1,2]=4 138 B8R1.1 O=CC1=CC=C(I)O1 XJ2246 [0,1,0,0,0,0|0,1,2]=4 139 B8R1.1 O=CC1=CN=C(Cl)S1 YH97918 [0,1,0,0,0,0|1,0,2]=4 140 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [0,1,0,0,0,0|0,0,2]=3 141 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [0,1,0,0,0,0|1,1,0]=3 142 B8R1.7 CC(C)C1=NC=CN1 LT1583 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.7 CC(N)C1=CN=CO1 RT14536 [0,1,0,0,0,0|2,1,0]=4 144 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [0,1,0,0,0,0|1,1,0]=3 145 B8R1.7 N=C(N)C1=CC=CS1 LT0593 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [0,1,0,0,0,0|0,1,2]=4 147 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [0,1,0,0,0,0|0,0,2]=3 148 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [0,1,0,0,0,0|0,1,1]=3 150 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [0,1,0,0,0,0|0,1,1]=3 151 B8R1.7 O=C(O)C1=CC=NS1 YH21736 [0,1,0,0,0,0|1,0,1]=3 152 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [0,1,0,0,0,0|1,0,1]=3 154 B8R1.7 O=C(O)C1=COC=N1 LQ4340 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.7 O=C(O)C1=NC=CS1 JZ4900 [0,1,0,0,0,0|1,0,1]=3 157 B8R1.7 O=C(O)C1=NNC=C1 XJ1870 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.7 O=C(O)C1=NOC=C1 JZ2260 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.7 O=C(O)C1C=CC=C1 LT5432 [0,1,0,0,0,0|1,0,2]=4 160 B8R1.7 O=[N+]([O-])C1=CC=CS1 XJ1078 [0,1,0,0,0,0|1,0,1]=3 161 B8R1.7 O=[S@@]([Fe+])C1=CC=CC1 HL3389 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.7 OB(O)C1=CC=CO1 XJ3842 [0,1,0,0,0,0|1,1,0]=3 163 B8R1.7 OB(O)C1=CC=CS1 XJ3044 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.7 OB(O)C1=CN=CS1 YH97029 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.7 OB(O)C1=COC=C1 LT7692 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.7 OB(O)C1=CSC=C1 XJ3045 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.7 OB(O)C1=NC=CN1 YH28840 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.7 OB(O)C1=NNC=C1 YH57912 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.8 CCOC1=NC=CS1 LT1725 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.8 CNCC1=CC=NO1 YH59432 [0,1,0,0,0,0|2,1,0]=4 171 B8R1.8 CNCC1=NC=CS1 YH34770 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.8 CSCC1=CC=CO1 LT5048 [0,1,0,0,0,0|0,2,0]=3 173 B8R1.8 ClCCC1=CNC=N1 YH65151 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.8 N#CCC1=CC=CS1 LT2195 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.8 N#CCC1=CC=NO1 RT9281 [0,1,0,0,0,0|2,1,0]=4 176 B8R1.8 N#CCC1=CSC=C1 LT0742 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.8 N#CCC1=NC=CO1 RT9280 [0,1,0,0,0,0|2,1,0]=4 178 B8R1.8 NCCC1=CC=NN1 RT1410 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.8 NCCC1=CNC=N1 HL1018 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.8 NCCC1=CNC=N1 LQ0056 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.8 O=C=NC1=CC=CS1 HL2074 [0,1,0,0,0,0|0,0,2]=3 182 B8R1.8 O=C=NC1=NC=CS1 XJ6203 [0,1,0,0,0,0|1,0,2]=4 183 B8R1.8 OCCC1=CC=CS1 LT0210 [0,1,0,0,0,0|0,0,0]=1 184 B8R1.8 OCCC1=CNC=N1 XJ1421 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.8 O\N=C\C1=CC=CS1 XJ4987 [0,1,0,0,0,0|0,0,1]=2 186 B8R1.11 C=CC1=C(C)N=CS1 JZ1141 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.11 CC1=C(C=O)SC=N1 LT2846 [0,1,0,0,0,0|1,0,2]=4 188 B8R1.11 CC1=C(CO)N=CN1 LX2659 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.11 CC1=C(CO)NC=N1 LT2845 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.11 CC1=C(CO)SC=N1 YH43789 [0,1,0,0,0,0|1,0,0]=2 191 B8R1.11 CN1C=CC=C1C#N XJ5209 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.11 CN1C=CC=C1C=O JZ4460 [0,1,0,0,0,0|1,0,2]=4 193 B8R1.11 CN1N=CC=C1CN YH90470 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.11 CN1N=CC=C1CO YH88988 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.11 ClCC1=C(Cl)SC=C1 HL3229 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.11 N#CC1=C(Br)C=CS1 LQ4097 [0,1,0,0,0,0|1,0,1]=3 197 B8R1.11 N#CC1=C(N)C=CS1 YH66595 [0,1,0,0,0,0|1,0,1]=3 198 B8R1.11 O=CC1=C(Br)C=CS1 CJ3010 [0,1,0,0,0,0|0,0,2]=3 199 B8R1.11 O=CC1=C(Cl)C=CS1 YH13244 [0,1,0,0,0,0|0,0,2]=3 200 B8R1.11 OC[C@@H]1CC=C[C@@H]1O RT18647 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.1 C=COC(=O)CC XJ0313 [0,0,1,0,0,0|2,1,0]=4 202 B6R0.1 C=COC(=O)CCl LQ2227 [0,0,1,0,0,0|2,1,0]=4 203 B6R0.1 CCC(=O)\C=C\Cl RT1219 [0,0,1,0,0,0|2,1,0]=4 204 B6R0.6 C=CCSSCC LT5765 [0,0,1,0,0,0|2,0,1]=4 205 B6R0.6 CCC\C=C/CO LQ1528 [0,0,1,0,0,0|1,0,2]=4 206 B6R0.6 CCC\C=C\C=O LQ3146 [0,0,1,0,0,0|1,1,1]=4 207 B6R0.6 CC\C=C/CCO LT4581 [0,0,1,0,0,0|1,0,2]=4 208 B6R0.6 C\C=C\CCCO XJ3000 [0,0,1,0,0,0|1,0,2]=4 209 B6R0.6 C\C=C\SCCC YH55419 [0,0,1,0,0,0|1,0,2]=4 210 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.2 BrCC1=CC=CN=C1 YH03265 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.2 BrCC1=CC=CN=C1 YH65568 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.2 BrCC1=CN=CN=C1 YH49551 [0,0,0,0,0,1|3,0,0]=4 214 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.2 C#CC1=CC=NC=C1 YH65004 [0,0,0,0,0,1|2,0,1]=4 217 B8R1.2 C#CC1=NC=CC=C1 JZ1801 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [0,0,0,0,0,1|2,0,1]=4 219 B8R1.2 C=CC1=CC=CN=C1 RT7678 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.2 C=CC1=NC=CN=C1 JZ1744 [0,0,0,0,0,1|2,0,1]=4 221 B8R1.2 CCC1=CC=CN=C1 JZ1084 [0,0,0,0,0,1|2,0,0]=3 222 B8R1.2 CCC1=CC=NC=C1 LL0974 [0,0,0,0,0,1|2,0,0]=3 223 B8R1.2 CNC1=CC=CN=C1 LT2493 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.2 CNC1=CC=NC=C1 LT6892 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.2 COC1=CC=CCC1 JZ1877 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.2 COC1=CC=CN=C1 LT6817 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.2 COC1=NC=CC=C1 LT2109 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.2 COC1=NC=CN=C1 LT2105 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.2 CSC1=NC=CC=C1 LT2167 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.2 CSC1=NC=CN=C1 LT1494 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.2 ClCC1=CC=CC=C1 HL1268 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [0,0,0,0,0,1|2,0,0]=3 234 B8R1.2 ClCC1=CC=CN=C1 YH53620 [0,0,0,0,0,1|2,0,0]=3 235 B8R1.2 ClCC1=CN=CN=C1 YH20882 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [0,0,0,0,0,1|2,0,0]=3 237 B8R1.2 ClCC1=NC=CC=C1 LT2316 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.2 ClCC1=NC=CC=N1 YH06236 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.2 ClCC1=NC=CN=C1 YH58834 [0,0,0,0,0,1|2,0,0]=3 240 B8R1.2 ClCC1=NC=CN=C1 YH66696 [0,0,0,0,0,1|2,0,0]=3 241 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [0,0,0,0,0,1|2,0,1]=4 242 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [0,0,0,0,0,1|2,0,1]=4 243 B8R1.2 N#CC1=CC=CN=C1 LT3052 [0,0,0,0,0,1|2,0,1]=4 244 B8R1.2 N#CC1=CC=NC=C1 JZ0789 [0,0,0,0,0,1|2,0,1]=4 245 B8R1.2 N#CC1=NC=CC=C1 JZ0735 [0,0,0,0,0,1|2,0,1]=4 246 B8R1.2 N#CC1=NC=CC=N1 YH34055 [0,0,0,0,0,1|2,0,1]=4 247 B8R1.2 NCC1=CC=CC=C1 LQ1371 [0,0,0,0,0,1|2,0,0]=3 248 B8R1.2 NCC1=CC=CN=C1 RT2311 [0,0,0,0,0,1|2,0,0]=3 249 B8R1.2 NCC1=CC=NC=C1 LL1070 [0,0,0,0,0,1|2,0,0]=3 250 B8R1.2 NCC1=CC=NC=C1 RT10176 [0,0,0,0,0,1|2,0,0]=3 251 B8R1.2 NCC1=NC=CC=C1 HL2591 [0,0,0,0,0,1|2,0,0]=3 252 B8R1.2 NCC1=NC=CC=N1 YH17523 [0,0,0,0,0,1|2,0,0]=3 253 B8R1.2 NCC1=NC=CN=C1 YH58835 [0,0,0,0,0,1|2,0,0]=3 254 B8R1.2 NNC1=CC=CC=C1 HL1279 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.2 NNC1=CC=CC=C1 JZ5772 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.2 NNC1=CC=CN=C1 YH00904 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.2 NNC1=CC=CN=C1 YH12082 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.2 NNC1=CC=CN=C1 YH57193 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.2 NNC1=NC=CN=C1 YH06483 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.2 O=CC1=CC=CC=N1 JZ0732 [0,0,0,0,0,1|1,0,2]=4 261 B8R1.2 O=CC1=CC=CN=C1 RT10183 [0,0,0,0,0,1|1,0,2]=4 262 B8R1.2 O=CC1=NC=CC=N1 YH51306 [0,0,0,0,0,1|1,0,2]=4 263 B8R1.2 O=CC1=NC=CN=C1 HL3002 [0,0,0,0,0,1|1,0,2]=4 264 B8R1.2 O=CC1=NC=NC=C1 YH48930 [0,0,0,0,0,1|1,0,2]=4 265 B8R1.2 O=CC1=NN=CC=C1 XJ5876 [0,0,0,0,0,1|1,0,2]=4 266 B8R1.2 O=NC1=CC=CC=C1 YH08587 [0,0,0,0,0,1|2,0,1]=4 267 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.2 OCC1=CC=CC=C1 HL1271 [0,0,0,0,0,1|1,0,0]=2 269 B8R1.2 OCC1=CC=CC=N1 LT2170 [0,0,0,0,0,1|1,0,0]=2 270 B8R1.2 OCC1=CN=CC=C1 HL1274 [0,0,0,0,0,1|1,0,0]=2 271 B8R1.2 OCC1=CN=CN=C1 LX3222 [0,0,0,0,0,1|2,0,0]=3 272 B8R1.2 OCC1=NC=CN=C1 YH13049 [0,0,0,0,0,1|1,0,0]=2 273 B8R1.2 OCC1=NC=NC=C1 YH55246 [0,0,0,0,0,1|1,0,0]=2 274 B8R1.2 OCC1CCC=CO1 LT2060 [0,0,0,0,0,1|0,1,2]=4 275 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.2 SCC1=CC=CC=C1 HL1273 [0,0,0,0,0,1|1,1,0]=3 277 B8R1.2 SCC1=NC=CN=C1 LQ5467 [0,0,0,0,0,1|1,1,0]=3 278 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [0,0,0,0,0,1|2,0,1]=4 279 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [0,0,0,0,0,1|3,0,0]=4 280 B5R0.1 C=COC(C)=O LQ0375 [1,0,1,0,0,0|1,1,0]=4 281 B5R0.1 C=COC(C)=O LQ4456 [1,0,1,0,0,0|1,1,0]=4 282 B5R0.1 C=COC(C)=O XJ3468 [1,0,1,0,0,0|1,1,0]=4 283 B5R0.1 C\C=C\C(=O)O HL1378 [1,0,1,0,0,0|0,1,1]=4 284 B5R0.2 C#C\C=C\CO JZ2763 [1,0,1,0,0,0|0,0,2]=4 285 B5R0.2 C=CC\C=C\C HL0119 [1,0,1,0,0,0|1,0,1]=4 286 B5R0.2 C=C\C=C\C=O XJ1340 [1,0,1,0,0,0|0,0,2]=4 287 B5R0.2 OC\C=C\CBr RT1108 [1,0,1,0,0,0|1,0,1]=4 288 B5R0.3 C=CC(O)C=C HL0553 [1,0,1,0,0,0|1,0,1]=4 289 B5R0.3 C=CC(O)CO RT18762 [1,0,1,0,0,0|0,1,1]=4 290 B5R0.3 C=C[C@@H](N)CO YH53874 [1,0,1,0,0,0|1,0,1]=4 291 B5R0.3 C=C[C@H](N)CO LX2169 [1,0,1,0,0,0|1,0,1]=4 292 B5R0.3 C\C(=C/Br)CO RT0550 [1,0,1,0,0,0|1,0,1]=4 293 B5R1.1 C1=CCC=C1 HL0727 [2,0,0,0,0,0|1,0,0]=3 294 B5R1.1 C1=CCC=C1 LQ3537 [2,0,0,0,0,0|1,0,0]=3 295 B5R1.1 C1=CCC=C1 XJ0961 [2,0,0,0,0,0|1,0,0]=3 296 B5R1.1 C1=CNC=N1 YH35329 [2,0,0,0,0,0|2,0,0]=4 297 B5R1.1 C1=CNN=C1 LL0624 [2,0,0,0,0,0|2,0,0]=4 298 B5R1.1 C1=COC=C1 RT8598 [2,0,0,0,0,0|0,1,0]=3 299 B5R1.1 C1=CON=C1 LL0625 [2,0,0,0,0,0|1,1,0]=4 300 B5R1.1 C1=CSN=C1 YH52084 [2,0,0,0,0,0|1,0,0]=3 301 B5R1.1 C1=[C-]CC=C1 LQ3516 [2,0,0,0,0,0|1,0,1]=4 302 B7R0.1 CC\C=C\C=C\C=O LQ2607 [0,1,1,0,0,0|1,1,0]=4 303 B7R0.1 CC\C=C\C=C\CO RT14062 [0,1,1,0,0,0|1,0,0]=3 304 B7R1.2 BrC1=CC=C(Br)S1 LT0144 [1,1,0,0,0,0|1,0,0]=3 305 B7R1.2 BrC1=CSC(Br)=C1 LQ2406 [1,1,0,0,0,0|1,0,0]=3 306 B7R1.2 BrC1=CSC(Br)=N1 HL2692 [1,1,0,0,0,0|2,0,0]=4 307 B7R1.2 CC1=CC(=O)CC1 HL2331 [1,1,0,0,0,0|1,0,1]=4 308 B7R1.2 CC1=CC(C)=NN1 YH13269 [1,1,0,0,0,0|2,0,0]=4 309 B7R1.2 CC1=CC(C)=NO1 LL0658 [1,1,0,0,0,0|1,1,0]=4 310 B7R1.2 CC1=CC(N)=NN1 LT6115 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.2 CC1=CC(N)=NO1 JZ4347 [1,1,0,0,0,0|1,1,0]=4 312 B7R1.2 CC1=CC=C(C)N1 XJ1201 [1,1,0,0,0,0|1,0,0]=3 313 B7R1.2 CC1=CC=C(C)O1 JZ0985 [1,1,0,0,0,0|0,1,0]=3 314 B7R1.2 CC1=CC=C(C)S1 LT0161 [1,1,0,0,0,0|0,0,0]=2 315 B7R1.2 CC1=CCC(=O)O1 HL0093 [1,1,0,0,0,0|0,1,1]=4 316 B7R1.2 CC1=CN=C(Br)S1 XJ5466 [1,1,0,0,0,0|1,0,0]=3 317 B7R1.2 CC1=CN=C(Cl)S1 YH55067 [1,1,0,0,0,0|1,0,0]=3 318 B7R1.2 CC1=CN=C(N)O1 YH54873 [1,1,0,0,0,0|1,1,0]=4 319 B7R1.2 CC1=CN=C(N)S1 LT5981 [1,1,0,0,0,0|1,0,0]=3 320 B7R1.2 CC1=CNC(C)=C1 XJ1200 [1,1,0,0,0,0|1,0,0]=3 321 B7R1.2 CC1=CNC(C)=N1 LQ1550 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.2 CC1=COC(N)=N1 LQ4845 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.2 CC1=CSC(Br)=N1 LQ3204 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.2 CC1=CSC(C)=N1 JZ0982 [1,1,0,0,0,0|1,0,0]=3 325 B7R1.2 CC1=CSC(N)=N1 YH56147 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.2 CC1=NC(I)=CN1 LL1307 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.2 CN1C=C(Br)C=N1 JZ5026 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.2 CN1C=CC(N)=N1 YH42950 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.2 ClC1=CC=C(Br)S1 LQ2313 [1,1,0,0,0,0|1,0,0]=3 330 B7R1.2 NC1=NC=C(Br)S1 LT1932 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.2 NC1=NC=C(Br)S1 YH32232 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.2 NC1=NC=C(Cl)S1 YH65536 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.2 NC1=NNC(O)=C1 LQ5283 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.2 O=C1C=CC(=O)N1 LT7482 [1,1,0,0,0,0|1,0,1]=4 335 B7R1.2 O=C1C=CC(=O)O1 LQ0391 [1,1,0,0,0,0|0,1,1]=4 336 B7R1.2 O=C1C=CC(=O)O1 LT3790 [1,1,0,0,0,0|0,1,1]=4 337 B7R1.4 BrC1=C(Br)SC=C1 LQ2407 [1,1,0,0,0,0|1,0,0]=3 338 B7R1.4 CC1=C(Br)C=CS1 LT2486 [1,1,0,0,0,0|0,0,0]=2 339 B7R1.4 CC1=C(Br)N=CN1 YH37368 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.4 CC1=C(Br)SC=C1 LT1661 [1,1,0,0,0,0|1,0,0]=3 341 B7R1.4 CC1=C(C)SC=C1 LQ1299 [1,1,0,0,0,0|0,0,0]=2 342 B7R1.4 CC1=C(C)SC=N1 JZ1110 [1,1,0,0,0,0|1,0,0]=3 343 B7R1.4 CC1=C(Cl)SC=C1 XJ4095 [1,1,0,0,0,0|1,0,0]=3 344 B7R1.4 CC1=C(N)C=NO1 SY0005 [1,1,0,0,0,0|1,1,0]=4 345 B7R1.4 CC1=C(S)C=CO1 LQ4612 [1,1,0,0,0,0|0,1,0]=3 346 B7R1.4 CC1=C([Mn])CC=C1 LQ3504 [1,1,0,0,0,0|1,0,1]=4 347 B7R1.4 CC1=COC=C1C RT14117 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.4 CC1=CSC=C1C YH11171 [1,1,0,0,0,0|2,0,0]=4 349 B7R1.4 CN1N=CC=C1N JZ4455 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.4 CN1SC=CC1=O RT14324 [1,1,0,0,0,0|1,0,0]=3 351 B7R1.4 CN1SC=CC1=O RT4660 [1,1,0,0,0,0|1,0,0]=3 352 B7R1.4 ClC1=C(Br)C=CS1 LT0622 [1,1,0,0,0,0|1,0,0]=3 353 B7R1.4 ClC1=C(Cl)SC=C1 LT0531 [1,1,0,0,0,0|1,0,0]=3 354 B7R1.4 NC1=C(Br)C=CS1 YH65584 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.1 BrCC1=CC=C(Br)C=C1 YH08714 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.1 BrCC1=CC=C(I)C=C1 XJ4204 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.1 CC1=CC=C(CBr)C=C1 XJ0291 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.1 CC1=CC=C(CN)C=C1 XJ0294 [0,1,0,0,0,1|2,0,0]=4 359 B9R1.1 CC1=CC=C(CN)C=N1 RT4381 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.1 CC1=CC=C(CO)C=C1 HL0057 [0,1,0,0,0,1|1,0,0]=3 361 B9R1.1 CC1=NC=C(CCl)C=C1 RT12579 [0,1,0,0,0,1|2,0,0]=4 362 B9R1.1 CC1=NC=C(CO)C=N1 YH47516 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.1 CCC1=CC=C(Br)C=C1 LT0068 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.1 CCC1=CC=C(Cl)C=C1 XJ1132 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.1 CCC1=CC=C(I)C=C1 JZ5676 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.1 CCC1=CC=C(O)C=C1 LQ4557 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.1 CCC1=CC=[N+]([O-])C=C1 RT11871 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.1 CCC1=CN=C(C)C=C1 YH20573 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.1 CCC1=CNC(=O)C=C1 YH05768 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.1 ClC1=CC=C(CBr)C=C1 XJ1130 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.1 ClC1=NC=C(CBr)C=C1 YH41777 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.1 ClCC1=CC=C(Br)C=C1 HL0056 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.1 ClCC1=CC=C(Cl)C=C1 XJ0293 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.1 ClCC1=CN=C(Cl)C=C1 LT3696 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.1 ClCC1=NC=C(Br)C=C1 YH66212 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.1 ClCC1=NN=C(Cl)C=C1 YH27908 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.1 FC1=CC=C(CBr)C=C1 RT11193 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.1 FC1=CC=C(CCl)C=C1 LL0673 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.1 FC1=CC=C(CS)C=C1 JZ5068 [0,1,0,0,0,1|1,1,0]=4 380 B9R1.1 NC1=CC=C(CO)C=N1 YH25373 [0,1,0,0,0,1|1,0,0]=3 381 B9R1.1 NC1=CC=C(CO)N=C1 YH91412 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.1 NCC1=CC=C(Br)C=C1 YH59044 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.1 NCC1=CC=C(Cl)C=C1 LT2948 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.1 NCC1=CC=C(F)C=C1 RT1536 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.1 NCC1=CC=C(I)C=C1 LT1523 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.1 NCC1=CC=C(N)C=C1 JZ2534 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.1 NCC1=CC=C(O)C=C1 LQ1367 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.1 NCC1=CN=C(Cl)C=C1 HL4996 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 OC1=CC=C(CBr)C=C1 CJ3032 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.1 OCC1=CC=C(Br)C=C1 XJ1430 [0,1,0,0,0,1|1,0,0]=3 391 B9R1.1 OCC1=CC=C(Cl)C=C1 JZ0815 [0,1,0,0,0,1|1,0,0]=3 392 B9R1.1 OCC1=CC=C(Cl)N=C1 LT1692 [0,1,0,0,0,1|1,0,0]=3 393 B9R1.1 OCC1=CC=C(F)N=C1 YH59200 [0,1,0,0,0,1|1,0,0]=3 394 B9R1.1 OCC1=CC=C(I)C=C1 XJ4412 [0,1,0,0,0,1|1,0,0]=3 395 B9R1.1 OCC1=CC=C(O)C=C1 JZ0347 [0,1,0,0,0,1|1,0,0]=3 396 B9R1.1 OCC1=CN=C(Cl)C=N1 YH15941 [0,1,0,0,0,1|1,0,0]=3 397 B9R1.1 OCC1=CN=C(O)C=C1 YH24285 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.1 OCC1=NC=C(Br)C=C1 XJ6558 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.1 ONC1=CC=C(Cl)C=C1 YH88188 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.2 BrCC1=CC(Br)=CC=C1 LT6733 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.2 BrCC1=NC(Br)=CC=C1 LL1506 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.2 CC1=CC(CCl)=NC=C1 YH58257 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.2 CC1=CC(CN)=CC=C1 LQ0295 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.2 CC1=CC(CO)=NC=C1 YH01119 [0,1,0,0,0,1|1,0,0]=3 405 B9R1.2 CC1=CC=CC(CO)=N1 HL0652 [0,1,0,0,0,1|1,0,0]=3 406 B9R1.2 CC1=NC(CO)=CC=N1 YH65643 [0,1,0,0,0,1|1,0,0]=3 407 B9R1.2 CC1=NC=CC(CCl)=C1 RT9279 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.2 CC1=NC=CC(CN)=C1 RT9263 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.2 CCC1=CC(C)=CC=C1 JZ3949 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.2 CCC1=CC(Cl)=NC=C1 LT3331 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.2 CCC1=CC=CC(Br)=C1 XJ2282 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.2 CCC1=CC=CC(N)=C1 XJ1048 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.2 CCC1=CC=CC(O)=C1 YH10409 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 CCC1=CC=NC(Br)=C1 LT3312 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 CCC1=CC=NC(N)=C1 LT3293 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 FC1=CC=CC(CCl)=C1 HL1820 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.2 NC1=CC(CO)=CC=N1 LT3191 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.2 NC1=CN=CC(CO)=C1 YH01842 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.2 NCC1=CC(Br)=CC=C1 XJ3599 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.2 NCC1=CC(I)=CC=C1 LQ1363 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.2 NCC1=CC(N)=CC=C1 LT2553 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 NCC1=CC=CC(Cl)=C1 LT6763 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.2 OC1=CC=CC(CCl)=C1 LT2488 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 OCC1=CC(Br)=CN=C1 CJ2881 [0,1,0,0,0,1|1,0,0]=3 425 B9R1.2 OCC1=CC(Br)=NC=C1 LT3320 [0,1,0,0,0,1|1,0,0]=3 426 B9R1.2 OCC1=CC(Cl)=CC=C1 XJ1427 [0,1,0,0,0,1|1,0,0]=3 427 B9R1.2 OCC1=CC(Cl)=NC=C1 YH20577 [0,1,0,0,0,1|1,0,0]=3 428 B9R1.2 OCC1=CC(F)=CC=C1 HL1821 [0,1,0,0,0,1|1,0,0]=3 429 B9R1.2 OCC1=CC(I)=CC=C1 XJ5829 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.2 OCC1=CC=CC(Br)=C1 LT6732 [0,1,0,0,0,1|1,0,0]=3 431 B9R1.2 OCC1=NC(Br)=CC=C1 LQ4787 [0,1,0,0,0,1|1,0,0]=3 432 B9R1.2 OCC1=NC(Cl)=CC=C1 YH55308 [0,1,0,0,0,1|1,0,0]=3 433 B9R1.2 OCC1=NC=CC(Br)=C1 YH31728 [0,1,0,0,0,1|1,0,0]=3 434 B9R1.2 OCC1=NC=NC(Cl)=C1 YH66296 [0,1,0,0,0,1|1,0,0]=3 435 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.6 CC(C)C1=NC=CN=C1 JZ1741 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.6 CC(O)C1=CN=CN=C1 RT9947 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [0,1,0,0,0,1|1,0,0]=3 442 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [0,1,0,0,0,1|1,0,1]=4 445 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [0,1,0,0,0,1|1,0,1]=4 446 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [0,1,0,0,0,1|1,0,1]=4 447 B9R1.6 O=C(O)C1=NC=CC=N1 YH53937 [0,1,0,0,0,1|1,0,1]=4 448 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [0,1,0,0,0,1|1,0,1]=4 449 B9R1.6 O=C(O)C1=NC=NC=C1 LQ4720 [0,1,0,0,0,1|1,0,1]=4 450 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.6 OB(O)C1=CC=CC=N1 LL2565 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.6 OB(O)C1=CC=CN=C1 LQ1914 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.6 OB(O)C1=CC=NC=C1 CJ2813 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.6 OB(O)C1=NC=CC=N1 YH65918 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [0,1,0,0,0,1|1,0,1]=4 457 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.8 CCCC1=CC=NC=C1 LT3807 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.8 CCOC1=NC=CC=C1 LT1993 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.8 CNCC1=CC=CC=C1 RT3204 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.8 COCC1=CC=CN=C1 LQ5401 [0,1,0,0,0,1|1,0,0]=3 467 B9R1.8 COCC1=NC=CN=C1 LT2349 [0,1,0,0,0,1|1,0,0]=3 468 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.8 NCCC1=CC=NC=C1 YH11719 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.8 NNCC1=CC=CC=C1 LX3048 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.8 NOCC1=CC=CC=C1 LT5864 [0,1,0,0,0,1|1,0,0]=3 478 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [0,1,0,0,0,1|1,0,1]=4 479 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [0,1,0,0,0,1|1,0,1]=4 480 B9R1.8 OCCC1=CC=CC=C1 YH43593 [0,1,0,0,0,1|1,0,0]=3 481 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [0,1,0,0,0,1|1,0,1]=4 483 B9R1.8 SCCC1=CC=NC=C1 RT10479 [0,1,0,0,0,1|1,1,0]=4 484 B9R1.8 SCCC1=NC=CC=C1 RT10478 [0,1,0,0,0,1|1,1,0]=4 485 B9R1.15 BrCC1=C(Br)C=CC=C1 LT0304 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.15 BrCC1=C(I)C=CC=C1 LQ5027 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.15 CC1=CC=CC=C1CN XJ0151 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.15 CC1=CC=CN=C1CN LT3920 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.15 CC1=CN=CN=C1CN RT2792 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.15 CC1=NC=CC=C1CCl RT8738 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.15 CCC1=C(Br)C=CC=C1 JZ1837 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.15 CCC1=C(Br)C=NC=C1 LQ4988 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.15 CCC1=C(C)C=CN=C1 LQ0971 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.15 CCC1=C(F)C=NC=N1 YH33319 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.15 CCC1=C(F)N=CC=C1 LT3213 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.15 CCC1=CC=CC=C1F RT10529 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.15 CCC1=CC=CC=C1I XJ4411 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.15 CCC1=CC=CC=C1S LT1736 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.15 CCC1=CC=CC=[N+]1[O-] LT3942 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 CCC1=CC=CN=C1N RT2490 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 CCC1=NC=CN=C1C JZ1026 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.15 CCC1=NC=CN=C1Cl YH11312 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.15 ClC1=CC=CC=C1CBr XJ1116 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.15 ClCC1=CC=CC=C1Br JZ3842 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.15 FC1=C(CBr)C=CC=C1 XJ0768 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.15 FC1=CC=CC=C1CBr RT11192 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.15 NC1=C(CO)C=NC=C1 HL3458 [0,1,0,0,0,1|1,0,0]=3 508 B9R1.15 NC1=CC=CC=C1CO LT2291 [0,1,0,0,0,1|1,0,0]=3 509 B9R1.15 NC1=NC=CC=C1CO JZ5602 [0,1,0,0,0,1|1,0,0]=3 510 B9R1.15 NCC1=C(I)C=CC=C1 YH59249 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.15 NCC1=C(N)C=CC=C1 YH52512 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.15 NCC1=C(O)C=CC=C1 LQ1562 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 NCC1=CC=CC=C1Br LT0305 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.15 NCC1=CC=CC=C1Cl LT6512 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.15 NCC1=CC=CN=C1Cl YH66504 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.15 NCC1=CC=CNC1=O RT2213 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.15 OC1=CC=CN=C1CBr XJ6520 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.15 OCC1=C(Cl)C=CC=C1 LT1480 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.15 OCC1=C(Cl)C=CN=C1 HL3791 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.15 OCC1=C(F)C=CC=C1 XJ0769 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.15 OCC1=C(F)C=NC=C1 YH90998 [0,1,0,0,0,1|1,0,0]=3 522 B9R1.15 OCC1=C(F)N=CC=C1 LT3420 [0,1,0,0,0,1|1,0,0]=3 523 B9R1.15 OCC1=C(I)C=CC=C1 LQ2821 [0,1,0,0,0,1|1,0,0]=3 524 B9R1.15 OCC1=CC=CC=C1Br LQ4155 [0,1,0,0,0,1|1,0,0]=3 525 B9R1.15 OCC1=CC=NC=C1Cl YH65905 [0,1,0,0,0,1|1,0,0]=3 526 B9R1.15 OCC1=NC=CC=C1O YH34195 [0,1,0,0,0,1|1,0,0]=3 527 B9R1.15 SCC1=C(Cl)C=CC=C1 XJ5403 [0,1,0,0,0,1|1,1,0]=4 528 B9R1.15 [O-][N+]1=CC=CC=C1CO RT9217 [0,1,0,0,0,1|1,0,0]=3 529 B9R1.7 O=C=NC1=CC=C(Cl)S1 RT12094 [0,2,0,0,0,0|0,0,2]=4 530 B9R1.21 COC1=NC=C(CCl)S1 RT15726 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.21 CSC1=CC=C(C=O)S1 YH49028 [0,2,0,0,0,0|0,0,2]=4 532 B9R1.21 NCC1=CC=C(CN)O1 RT14119 [0,2,0,0,0,0|1,1,0]=4 533 B9R1.21 O=CC1=CC=C(C=O)S1 JZ4280 [0,2,0,0,0,0|0,0,2]=4 534 B9R1.21 O=CC1=CC=C(CO)O1 JZ1173 [0,2,0,0,0,0|0,1,0]=3 535 B9R1.22 CC1=C(CN)SC(N)=N1 YH89675 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.22 CC1=CC(C)=C(C=O)S1 LT0662 [0,2,0,0,0,0|0,0,2]=4 537 B9R1.23 CCC1=NC(C)=C(C)S1 JZ1027 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [0,2,0,0,0,0|0,0,2]=4 539 B9R1.35 CC(=O)C1=CC(Cl)=CS1 XJ5172 [0,2,0,0,0,0|0,0,2]=4 540 B9R1.35 CC(=O)C1=CC=C(Br)S1 XJ2893 [0,2,0,0,0,0|0,0,2]=4 541 B9R1.35 CC(=O)C1=CC=C(Cl)S1 LQ1289 [0,2,0,0,0,0|0,0,2]=4 542 B9R1.35 CC1=CC=C(C(=O)Cl)S1 LT0712 [0,2,0,0,0,0|0,0,2]=4 543 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [0,2,0,0,0,0|0,0,1]=3 544 B9R1.35 CC1=CN=C(C(=O)O)S1 CJ2740 [0,2,0,0,0,0|1,0,1]=4 545 B9R1.35 CC1=CNC(C(=O)O)=C1 YH42507 [0,2,0,0,0,0|1,0,1]=4 546 B9R1.35 CC1=CSC(C(=O)O)=C1 XJ4050 [0,2,0,0,0,0|0,0,1]=3 547 B9R1.35 CC1=CSC(C(=O)O)=N1 YH35093 [0,2,0,0,0,0|1,0,1]=4 548 B9R1.35 CC1=NC=C(C(=O)O)S1 YH59279 [0,2,0,0,0,0|1,0,1]=4 549 B9R1.35 O=C(O)C1=CC(Br)=CS1 LQ3954 [0,2,0,0,0,0|0,0,1]=3 550 B9R1.35 O=C(O)C1=CC(Br)=CS1 RT8377 [0,2,0,0,0,0|0,0,1]=3 551 B9R1.35 O=C(O)C1=CC=C(Br)S1 JZ0392 [0,2,0,0,0,0|0,0,1]=3 552 B9R1.35 O=C(O)C1=CC=C(Cl)S1 XJ4788 [0,2,0,0,0,0|0,0,1]=3 553 B9R1.35 OB(O)C1=CC=C(Cl)S1 LL2364 [0,2,0,0,0,0|1,0,0]=3 554 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [0,2,0,0,0,0|1,1,0]=4 556 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [0,2,0,0,0,0|1,0,0]=3 557 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.11 CCC(C)C1=NC=CS1 XJ4408 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.11 CNC(C)C1=CC=CS1 HL3673 [0,2,0,0,0,0|1,0,0]=3 560 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [0,2,0,0,0,0|0,1,1]=4 561 B9R1.11 N=C(NO)C1=CC=CS1 LT0733 [0,2,0,0,0,0|0,0,1]=3 562 B9R1.11 NNC(=O)C1=CC=CS1 LQ2134 [0,2,0,0,0,0|0,0,2]=4 563 B9R1.11 O=C(CCl)C1=CC=CS1 LT0548 [0,2,0,0,0,0|1,0,0]=3 564 B9R1.19 CS(=O)(=O)C1=CC=CS1 LQ4982 [0,2,0,0,0,0|1,0,1]=4 565 B9R1.19 NS(=O)(=O)C1=CC=CS1 LQ3099 [0,2,0,0,0,0|1,0,1]=4 566 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 LQ3930 [0,2,0,0,0,0|1,0,1]=4 567 B9R1.41 CC(=O)C1=C(C)C=CS1 JZ4814 [0,2,0,0,0,0|0,0,2]=4 568 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [0,2,0,0,0,0|1,0,1]=4 569 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [0,2,0,0,0,0|0,1,1]=4 570 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [0,2,0,0,0,0|0,0,1]=3 571 B9R1.41 CC1=C(C(=O)O)SC=N1 JZ5396 [0,2,0,0,0,0|1,0,1]=4 572 B9R1.41 CN1C=CC=C1B(O)O LX3288 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.41 NC1=C(C(=O)O)SC=C1 YH06872 [0,2,0,0,0,0|0,0,1]=3 574 B9R1.41 O=C(O)C1=C(F)C=CS1 YH54410 [0,2,0,0,0,0|0,0,1]=3 575 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 YH49022 [0,2,0,0,0,0|1,0,1]=4 576 B9R1.12 CSSCC1=CC=CO1 XJ5836 [0,2,0,0,0,0|0,2,0]=4 577 B9R1.12 O=CSCC1=CC=CO1 LT5479 [0,2,0,0,0,0|0,1,1]=4 578 B9R1.13 CC(=O)CC1=CC=CN1 RT14091 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.13 CC(C)CC1=NC=CS1 JZ1045 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.13 NC(=O)CC1=CC=CS1 XJ2712 [0,2,0,0,0,0|0,0,1]=3 581 B9R1.13 O=C(Cl)CC1=CC=CS1 LT0592 [0,2,0,0,0,0|0,0,1]=3 582 B9R1.13 O=C(Cl)CC1=CC=CS1 LT5114 [0,2,0,0,0,0|0,0,1]=3 583 B9R1.13 O=C(O)CC1=CC=CS1 LT6659 [0,2,0,0,0,0|0,0,0]=2 584 B9R1.13 O=C(O)CC1=CNC=C1 YH90782 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.13 O=C(O)CC1=CNC=N1 LX2171 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.13 O=C(O)CC1=CSC=C1 LT3139 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.13 O=C(O)CC1=CSC=C1 XJ3177 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.13 O=C(O)CC1=NC=CN1 YH42847 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.33 CC1=C(CCCl)SC=N1 RT10340 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.33 CC1=C(CCO)SC=N1 RT17443 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.33 NC1=CC=NN1CCO YH65891 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.14 O=CC1=C(C=O)SC=C1 JZ4273 [0,2,0,0,0,0|0,0,2]=4 593 B9R1.27 O=C1C=CC(=O)N1CO RT16527 [0,2,0,0,0,0|2,0,0]=4 594 B7R1.3 O=C1CC=COC1 YH48326 [0,0,1,1,0,0|0,1,1]=4 595 B7R1.3 SC1=CC=CN=C1 YH37913 [0,0,1,1,0,0|1,0,1]=4 596 B7R1.3 SC1=NC=CC=C1 LT1808 [0,0,1,1,0,0|2,0,0]=4 597 B9R2.50 C1=CC=C2CCC2=C1 LQ1353 [0,0,0,1,0,1|2,0,0]=4