0 B7R1.4 BrC1=C(Br)SC=C1 LQ2407 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.4 BrC1=CSC=C1Br CJ2871 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 BrC1=CSC=C1Br LT0598 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 C=C1CCOC1=O HL1987 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.4 CC1=C(Br)C=CS1 LT2486 [0,0,0,0,0,0|1,1,0]=2 5 B7R1.4 CC1=C(Br)N=CN1 YH37368 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.4 CC1=C(Br)SC=C1 LT1661 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.4 CC1=C(C)SC=C1 LQ1299 [0,0,0,0,0,0|1,1,0]=2 8 B7R1.4 CC1=C(C)SC=N1 JZ1110 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.4 CC1=C(Cl)SC=C1 XJ4095 [0,0,0,0,0,0|2,1,0]=3 10 B7R1.4 CC1=C(N)C=NO1 SY0005 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.4 CC1=C(S)C=CO1 LQ4612 [0,0,0,0,0,0|0,0,0]=0 12 B7R1.4 CC1=C(S)CCO1 LT1786 [0,0,0,0,0,0|0,0,2]=2 13 B7R1.4 CC1=C([Mn])CC=C1 LQ3504 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.4 CC1=CCCC1=O XJ1611 [0,0,0,0,0,0|1,1,2]=4 15 B7R1.4 CC1=COC=C1C RT14117 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 CC1=CSC=C1C YH11171 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 CC1=NON=C1C YH66063 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.4 CC1OCCC1=O LT1811 [0,0,0,0,0,0|0,1,3]=4 19 B7R1.4 CN1C=CN=C1N RT2180 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.4 CN1C=CN=C1S LL0062 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.4 CN1C=NN=C1S LQ4448 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 CN1N=CC=C1N JZ4455 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.4 CN1N=NN=C1S LT3957 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.4 CN1SC=CC1=O RT14324 [0,0,0,0,0,0|1,2,0]=3 25 B7R1.4 CN1SC=CC1=O RT4660 [0,0,0,0,0,0|1,2,0]=3 26 B7R1.4 ClC1=C(Br)C=CS1 LT0622 [0,0,0,0,0,0|2,1,0]=3 27 B7R1.4 ClC1=C(Cl)NC=N1 JZ5088 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.4 ClC1=C(Cl)SC=C1 LT0531 [0,0,0,0,0,0|2,1,0]=3 29 B7R1.4 IC1=C(I)NC=N1 LT2699 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.4 NC1=C(Br)C=CS1 YH65584 [0,0,0,0,0,0|2,1,0]=3 31 B7R1.4 NC1=CSC=C1N LT0596 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 BrC1=CC=CO1 XJ1019 [1,0,0,0,0,0|1,0,0]=2 33 B6R1.2 BrC1=CC=CS1 LT0578 [1,0,0,0,0,0|1,1,0]=3 34 B6R1.2 BrC1=CC=NS1 YH06358 [1,0,0,0,0,0|2,1,0]=4 35 B6R1.2 BrC1=CN=CS1 HL2419 [1,0,0,0,0,0|2,1,0]=4 36 B6R1.2 BrC1=CNC=N1 HL2203 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 BrC1=CNN=C1 HL2126 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 BrC1=CNN=C1 RT1991 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 BrC1=COC=C1 JZ5489 [1,0,0,0,0,0|1,0,0]=2 40 B6R1.2 BrC1=CSC=C1 LT6206 [1,0,0,0,0,0|1,1,0]=3 41 B6R1.2 BrC1=NC=CO1 RT14562 [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 BrC1=NC=CS1 HL2418 [1,0,0,0,0,0|2,1,0]=4 43 B6R1.2 BrC1=NNC=C1 YH35048 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 BrC1=NSC=C1 YH06973 [1,0,0,0,0,0|2,1,0]=4 45 B6R1.2 CC1=CC=CC1 LQ4531 [1,0,0,0,0,0|1,0,0]=2 46 B6R1.2 CC1=CC=CO1 RT14148 [1,0,0,0,0,0|0,0,0]=1 47 B6R1.2 CC1=CC=CS1 HL0035 [1,0,0,0,0,0|0,1,0]=2 48 B6R1.2 CC1=CC=NO1 XJ2996 [1,0,0,0,0,0|1,0,0]=2 49 B6R1.2 CC1=CN=CS1 JZ2359 [1,0,0,0,0,0|1,1,0]=3 50 B6R1.2 CC1=CNC=C1 YH10214 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 CC1=CNC=N1 RT8712 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 CC1=CNN=C1 LX2319 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 CC1=CNN=N1 YH65775 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 CC1=COC=C1 LQ1543 [1,0,0,0,0,0|1,0,0]=2 55 B6R1.2 CC1=CSC=C1 LT0736 [1,0,0,0,0,0|1,1,0]=3 56 B6R1.2 CC1=CSC=C1 LT6829 [1,0,0,0,0,0|1,1,0]=3 57 B6R1.2 CC1=CSC=N1 JZ1146 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 CC1=NC=CN1 RT6736 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 CC1=NC=CS1 LT1779 [1,0,0,0,0,0|1,1,0]=3 60 B6R1.2 CC1=NCCO1 XJ1609 [1,0,0,0,0,0|1,0,2]=4 61 B6R1.2 CC1=NNC=N1 YH15428 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 CN1C=CC=N1 LQ1547 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 CN1C=CN=C1 RT14814 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 CN1C=NC=N1 JZ2858 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 ClC1=CC=CS1 LL0241 [1,0,0,0,0,0|1,1,0]=3 66 B6R1.2 ClC1=CN=CN1 JZ5089 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 ClC1=CNN=C1 JZ5061 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 ClC1=CSC=C1 LT6771 [1,0,0,0,0,0|1,1,0]=3 69 B6R1.2 ClC1=NC=CS1 YH39640 [1,0,0,0,0,0|2,1,0]=4 70 B6R1.2 FC1=CC=CS1 YH59293 [1,0,0,0,0,0|1,1,0]=3 71 B6R1.2 IC1=CC=CS1 LQ2449 [1,0,0,0,0,0|1,1,0]=3 72 B6R1.2 IC1=CSC=C1 LQ3435 [1,0,0,0,0,0|1,1,0]=3 73 B6R1.2 IC1=NC=CN1 LT6074 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 NC1=CC=CS1 LQ1192 [1,0,0,0,0,0|1,1,0]=3 75 B6R1.2 NC1=CN=CS1 JZ5184 [1,0,0,0,0,0|2,1,0]=4 76 B6R1.2 NC1=CNC=N1 XJ2788 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 NC1=CSC=C1 JZ5185 [1,0,0,0,0,0|1,1,0]=3 78 B6R1.2 NC1=CSC=C1 LX2986 [1,0,0,0,0,0|1,1,0]=3 79 B6R1.2 NC1=CSC=N1 YH65483 [1,0,0,0,0,0|2,1,0]=4 80 B6R1.2 NC1=NC=CN1 JZ3169 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 NC1=NC=CN1 M0300317 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 NC1=NC=CS1 XJ5842 [1,0,0,0,0,0|2,1,0]=4 83 B6R1.2 NC1=NNC=C1 LT6717 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 NC1=NOC=C1 JZ4770 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 NC1=NOC=C1 YH02226 [1,0,0,0,0,0|2,0,0]=3 86 B6R1.2 O=C1C=CCC1 LQ1544 [1,0,0,0,0,0|1,1,1]=4 87 B6R1.2 O=C1C=CCN1 RT14585 [1,0,0,0,0,0|2,0,1]=4 88 B6R1.2 O=C1C=CCO1 XJ0818 [1,0,0,0,0,0|1,0,1]=3 89 B6R1.2 O=C1OC=CO1 XJ1417 [1,0,0,0,0,0|2,0,0]=3 90 B6R1.2 OC1=NOC=C1 RT14361 [1,0,0,0,0,0|1,1,0]=3 91 B6R1.2 S=C1C=CSS1 RT14520 [1,0,0,0,0,0|1,1,1]=4 92 B6R1.2 S=C1SC=CS1 LQ1546 [1,0,0,0,0,0|2,1,0]=4 93 B6R1.2 SC1=CC=CS1 JZ3241 [1,0,0,0,0,0|1,1,0]=3 94 B6R1.2 SC1=NC=CN1 XJ1416 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 SC1=NN=CS1 LT6572 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 [Co]C1C=CC=C1 LQ3485 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 [Mn]C1C=CC=C1 LT4683 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 [Mo+4]C1=CC=CC1 XJ5999 [1,0,0,0,0,0|2,0,0]=3 99 B6R1.2 [Ti+3]C1=CC=CC1 XJ1684 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 [TlH2]C1=CC=CC1 XJ5195 [1,0,0,0,0,0|2,0,0]=3 101 B6R1.2 [Zr+3]C1=CC=CC1 XJ5181 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.11 C=CC1=C(C)N=CS1 JZ1141 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.11 CC1=C(C=O)SC=N1 LT2846 [0,1,0,0,0,0|2,1,0]=4 104 B8R1.11 CC1=C(CO)N=CN1 LX2659 [0,1,0,0,0,0|2,1,0]=4 105 B8R1.11 CC1=C(CO)NC=N1 LT2845 [0,1,0,0,0,0|2,1,0]=4 106 B8R1.11 CC1=C(CO)SC=N1 YH43789 [0,1,0,0,0,0|2,1,0]=4 107 B8R1.11 CN1C=CC=C1C#N XJ5209 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.11 CN1C=CC=C1C=O JZ4460 [0,1,0,0,0,0|2,1,0]=4 109 B8R1.11 CN1N=CC=C1CN YH90470 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.11 CN1N=CC=C1CO YH88988 [0,1,0,0,0,0|2,1,0]=4 111 B8R1.11 CSC1=C(C)OC=C1 XJ6013 [0,1,0,0,0,0|0,0,0]=1 112 B8R1.11 CSC1=NC=CN1C RT14347 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.11 ClCC1=C(Cl)SC=C1 HL3229 [0,1,0,0,0,0|2,1,0]=4 114 B8R1.11 N#CC1=C(Br)C=CS1 LQ4097 [0,1,0,0,0,0|1,1,1]=4 115 B8R1.11 N#CC1=C(N)C=CS1 YH66595 [0,1,0,0,0,0|1,1,1]=4 116 B8R1.11 N#CC1=C(N)OC=N1 YH04315 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.11 O=CC1=C(Br)C=CS1 CJ3010 [0,1,0,0,0,0|1,1,1]=4 118 B8R1.11 O=CC1=C(Cl)C=CS1 YH13244 [0,1,0,0,0,0|1,1,1]=4 119 B8R1.18 CC1=C(Br)SC(Br)=N1 YH19108 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.18 CC1=C(Br)SC(N)=N1 YH53085 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.18 CC1=C(C)OC(=O)O1 RT14592 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.18 CC1=C(C)SC(N)=N1 YH47910 [0,1,0,0,0,0|2,1,0]=4 123 B8R1.18 CC1=CC(=O)OC1O LT3256 [0,1,0,0,0,0|2,0,1]=4 124 B8R1.18 CC1=NC(C)=C(N)S1 RT12095 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.18 CC1=NN(C)C(Cl)=C1 RT14543 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.18 CC1=NN(C)C=C1N RT4440 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.18 CN1SC(Cl)=CC1=O LQ5351 [0,1,0,0,0,0|1,2,0]=4 128 B8R1.18 CN1SC(Cl)=CC1=O LT3540 [0,1,0,0,0,0|1,2,0]=4 129 B8R1.50 CC1=C(C)C(=O)NN1 RT14157 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.50 CC1=C(N)C=NN1C RT4423 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.50 CC1=C(O)C(=O)CC1 XJ0127 [0,1,0,0,0,0|1,1,1]=4 132 B8R1.50 CC1=C(O)C(=O)CO1 JZ5349 [0,1,0,0,0,0|0,1,1]=3 133 B8R1.50 CC1=CC=C(C)N1C LQ1553 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.50 CC1=NC=C(Br)N1C YH48761 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.50 CC1=NNC(C)=C1N YH05352 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.50 CC1=NNC(N)=C1Br RT1988 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.50 CC1=NOC(C)=C1I LQ3475 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.50 CC1=NOC(C)=C1N LT5723 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.50 CC1=NOC(N)=C1C LQ4162 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.1 C=COC(=O)CC XJ0313 [0,0,1,0,0,0|2,0,1]=4 141 B6R0.1 C=COC(=O)CCl LQ2227 [0,0,1,0,0,0|2,0,1]=4 142 B6R0.1 CCC(=O)\C=C\Cl RT1219 [0,0,1,0,0,0|1,1,1]=4 143 B6R0.1 C\C=C\C(=O)OC LQ4078 [0,0,1,0,0,0|2,1,0]=4 144 B6R0.1 C\C=C\C(C)=C\C LQ4645 [0,0,1,0,0,0|2,0,0]=3 145 B6R0.3 C=C(C)C(=O)OC XJ0124 [0,0,1,0,0,0|2,0,1]=4 146 B6R0.3 C=C(F)C(=O)OC LQ2116 [0,0,1,0,0,0|2,0,1]=4 147 B6R0.3 C=CN(C)C(C)=O JZ2249 [0,0,1,0,0,0|2,0,1]=4 148 B6R0.3 C=C[C@@H](N)C(=O)O YH05396 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.3 C=C[C@H](N)C(=O)O YH15079 [0,0,1,0,0,0|2,0,1]=4 150 B6R0.3 CC(=O)\C(C)=C\[O-] RT1132 [0,0,1,0,0,0|2,0,1]=4 151 B6R0.3 C\C=C(/C)C(=O)O RT0199 [0,0,1,0,0,0|2,0,1]=4 152 B6R0.3 C\C=C(/C)C(C)=O LL0992 [0,0,1,0,0,0|1,0,2]=4 153 B6R0.3 C\C=C(\C)C(=O)O LX1016 [0,0,1,0,0,0|2,0,1]=4 154 B6R0.6 CCC\C=C\C=O LQ3146 [0,0,1,0,0,0|1,1,1]=4 155 B6R0.6 CC\C=C\OCC LQ1533 [0,0,1,0,0,0|1,0,2]=4 156 B8R1.4 BrC1=CC(Br)=NC=C1 LQ5413 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.4 BrC1=CC(I)=CC=C1 HL0095 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.4 BrC1=CC=CC(Br)=C1 LQ0394 [0,0,0,0,0,1|3,0,0]=4 159 B8R1.4 BrC1=CC=CC(Br)=N1 LT0169 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.4 BrC1=CC=NC(Br)=N1 LQ2525 [0,0,0,0,0,1|3,0,0]=4 161 B8R1.4 CC1=CC(Br)=NC=C1 JZ0770 [0,0,0,0,0,1|3,0,0]=4 162 B8R1.4 CC1=CC(C)=NC=C1 LT0137 [0,0,0,0,0,1|2,0,0]=3 163 B8R1.4 CC1=CC(Cl)=NC=N1 LQ2446 [0,0,0,0,0,1|3,0,0]=4 164 B8R1.4 CC1=CC(F)=CC=C1 YH56452 [0,0,0,0,0,1|2,0,0]=3 165 B8R1.4 CC1=CC(F)=NC=C1 HL1857 [0,0,0,0,0,1|3,0,0]=4 166 B8R1.4 CC1=CC(I)=CC=C1 SY0266 [0,0,0,0,0,1|2,0,0]=3 167 B8R1.4 CC1=CC(I)=NC=C1 XJ4661 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.4 CC1=CC(N)=CN=C1 HL2566 [0,0,0,0,0,1|3,0,0]=4 169 B8R1.4 CC1=CC(N)=NC=C1 LT2288 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.4 CC1=CC(N)=NC=C1 LT3916 [0,0,0,0,0,1|3,0,0]=4 171 B8R1.4 CC1=CC(O)=CC=C1 JZ0053 [0,0,0,0,0,1|1,1,0]=3 172 B8R1.4 CC1=CC(O)=CN=C1 LQ5076 [0,0,0,0,0,1|2,1,0]=4 173 B8R1.4 CC1=CC(S)=CC=C1 LQ0397 [0,0,0,0,0,1|1,0,0]=2 174 B8R1.4 CC1=CC(S)=NC=C1 YH41922 [0,0,0,0,0,1|2,0,0]=3 175 B8R1.4 CC1=CC=CC(Br)=N1 LT3715 [0,0,0,0,0,1|2,0,0]=3 176 B8R1.4 CC1=CC=CC(C)=N1 LT0202 [0,0,0,0,0,1|2,0,0]=3 177 B8R1.4 CC1=CC=CC(Cl)=N1 LT3934 [0,0,0,0,0,1|2,0,0]=3 178 B8R1.4 CC1=CC=CC(F)=N1 LQ0822 [0,0,0,0,0,1|2,0,0]=3 179 B8R1.4 CC1=CC=CC(O)=N1 XJ2432 [0,0,0,0,0,1|1,1,0]=3 180 B8R1.4 CC1=CC=NC(Br)=N1 YH31425 [0,0,0,0,0,1|3,0,0]=4 181 B8R1.4 CC1=CN=CC(Br)=C1 HL2565 [0,0,0,0,0,1|3,0,0]=4 182 B8R1.4 CC1=CN=CC(C)=N1 JZ0990 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.4 CC1=CN=CC(Cl)=N1 LQ4966 [0,0,0,0,0,1|3,0,0]=4 184 B8R1.4 CC1=CN=CC(F)=C1 LQ0821 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.4 CC1=CN=CC(N)=N1 JZ2741 [0,0,0,0,0,1|3,0,0]=4 186 B8R1.4 CC1=NC(Cl)=CC=C1 LT3343 [0,0,0,0,0,1|2,0,0]=3 187 B8R1.4 CC1=NC(Cl)=NC=C1 LT5821 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.4 CC1=NC(N)=CC=C1 JZ0765 [0,0,0,0,0,1|2,0,0]=3 189 B8R1.4 CC1=NC(O)=NC=C1 XJ2871 [0,0,0,0,0,1|2,1,0]=4 190 B8R1.4 CC1=NC=CC(Br)=C1 XJ4664 [0,0,0,0,0,1|2,0,0]=3 191 B8R1.4 CC1=NC=CC(Br)=N1 YH24893 [0,0,0,0,0,1|2,0,0]=3 192 B8R1.4 CC1=NC=CC(Cl)=C1 XJ2546 [0,0,0,0,0,1|2,0,0]=3 193 B8R1.4 CC1=NC=CC(Cl)=C1 XJ5470 [0,0,0,0,0,1|2,0,0]=3 194 B8R1.4 CC1=NC=CC(N)=C1 LT3948 [0,0,0,0,0,1|2,0,0]=3 195 B8R1.4 CC1=NC=CC(N)=C1 LT5935 [0,0,0,0,0,1|2,0,0]=3 196 B8R1.4 CC1=NC=CC(O)=C1 LX2783 [0,0,0,0,0,1|1,1,0]=3 197 B8R1.4 CC1=NC=NC(Cl)=C1 LX3146 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.4 C[N+]1=CC=CC(O)=C1 RT8366 [0,0,0,0,0,1|2,1,0]=4 199 B8R1.4 ClC1=CC(Br)=CC=C1 LT0066 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 ClC1=CC(Br)=CC=N1 HL4510 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.4 ClC1=CC(Cl)=NC=C1 LT3281 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.4 ClC1=CC(I)=CC=C1 HL0212 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.4 ClC1=CC=CC(Br)=N1 LQ2808 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.4 ClC1=CC=CC(Cl)=C1 XJ0944 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.4 ClC1=CC=CC(Cl)=N1 LT0182 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.4 ClC1=CC=CC(I)=N1 LT3340 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.4 ClC1=CC=NC(Br)=C1 LT3311 [0,0,0,0,0,1|3,0,0]=4 208 B8R1.4 ClC1=NC(Cl)=NC=C1 RT7782 [0,0,0,0,0,1|3,0,0]=4 209 B8R1.4 FC1=CC(Br)=CC=N1 LQ5549 [0,0,0,0,0,1|3,0,0]=4 210 B8R1.4 FC1=CC=CC(Br)=C1 LT0067 [0,0,0,0,0,1|3,0,0]=4 211 B8R1.4 FC1=CC=CC(Cl)=N1 LT6505 [0,0,0,0,0,1|3,0,0]=4 212 B8R1.4 FC1=CC=CC(F)=C1 LT0047 [0,0,0,0,0,1|3,0,0]=4 213 B8R1.4 FC1=CC=CC(F)=N1 LT0188 [0,0,0,0,0,1|3,0,0]=4 214 B8R1.4 FC1=CC=NC(Br)=C1 LX2761 [0,0,0,0,0,1|3,0,0]=4 215 B8R1.4 FC1=CC=NC(Cl)=C1 XJ5215 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.4 FC1=CC=NC(F)=C1 XJ5214 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.4 FC1=NC(Br)=CC=C1 CJ2240 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.4 FC1=NC=CC(I)=C1 XJ4662 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.4 IC1=CC=CC(I)=C1 HL0213 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.4 NC1=CC(Cl)=CC=C1 LT2571 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.4 NC1=CC(Cl)=NC=C1 RT2041 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.4 NC1=CC(F)=CC=C1 LT6789 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.4 NC1=CC(F)=NC=C1 LX2902 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.4 NC1=CC(N)=NC=C1 HL1858 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.4 NC1=CC(O)=CC=N1 LQ4780 [0,0,0,0,0,1|2,1,0]=4 226 B8R1.4 NC1=CC(O)=NC=C1 RT8637 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.4 NC1=CC=CC(F)=C1 YH66691 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.4 NC1=CC=CC(I)=C1 HL0214 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.4 NC1=CC=CC(N)=C1 LT7493 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.4 NC1=CC=CC(N)=N1 XJ0588 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.4 NC1=CC=CC(S)=C1 LT6720 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.4 NC1=CC=NC(Br)=C1 LT2715 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.4 NC1=CC=NC(Cl)=N1 XJ3320 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.4 NC1=NC(=O)NC=C1 LT7700 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.4 NC1=NC(Br)=CC=C1 LT3588 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.4 NC1=NC(Cl)=CC=C1 LQ5147 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.4 NC1=NC(Cl)=CC=N1 LT6009 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.4 NC1=NC(F)=CC=C1 XJ1826 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.4 NC1=NC(N)=NC=C1 LQ0649 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.4 NC1=NC(O)=CC=C1 LT0266 [0,0,0,0,0,1|2,1,0]=4 241 B8R1.4 NC1=NC(O)=CC=N1 JZ1002 [0,0,0,0,0,1|2,1,0]=4 242 B8R1.4 NC1=NC=CC(Br)=C1 LT4052 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.4 NC1=NC=CC(Cl)=C1 LT3446 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.4 NC1=NC=CC(F)=C1 YH65600 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.4 NC1=NC=CC(I)=C1 YH06793 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.4 NC1=NC=CC(O)=N1 LT0242 [0,0,0,0,0,1|2,1,0]=4 247 B8R1.4 O=C1C=C(S)NC=N1 JZ1204 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.4 O=C1C=CC=C(O)N1 LT3245 [0,0,0,0,0,1|2,1,0]=4 249 B8R1.4 OC1=CC(Br)=NC=C1 XJ5246 [0,0,0,0,0,1|2,1,0]=4 250 B8R1.4 OC1=CC(F)=CC=C1 LT6796 [0,0,0,0,0,1|2,1,0]=4 251 B8R1.4 OC1=CC(F)=NC=C1 YH47375 [0,0,0,0,0,1|2,1,0]=4 252 B8R1.4 OC1=CC(I)=CC=C1 HL0215 [0,0,0,0,0,1|2,1,0]=4 253 B8R1.4 OC1=CC=CC(O)=C1 LQ4582 [0,0,0,0,0,1|2,1,0]=4 254 B8R1.4 OC1=CC=CC(O)=C1 RT12284 [0,0,0,0,0,1|2,1,0]=4 255 B8R1.4 OC1=CC=NC(O)=C1 HL0216 [0,0,0,0,0,1|2,1,0]=4 256 B8R1.4 OC1=NC=CC(Br)=C1 XJ5245 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.4 OC1=NC=CC(Br)=C1 YH57481 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.4 OC1=NC=CC(Cl)=C1 LQ5067 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.4 OC1=NC=CC(F)=C1 YH98386 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.4 SC1=CC=CC(Br)=C1 LQ3065 [0,0,0,0,0,1|2,0,0]=3 261 B8R1.4 SC1=CC=CC(Cl)=C1 LT6772 [0,0,0,0,0,1|2,0,0]=3 262 B8R1.4 SC1=CC=CC(S)=C1 HL0217 [0,0,0,0,0,1|2,0,0]=3 263 B8R1.5 BrC1=CC=CC=C1I SY0258 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.5 BrC1=CC=CN=C1Br LQ3662 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.5 CC1=C(Br)C=CN=C1 XJ3543 [0,0,0,0,0,1|2,0,0]=3 266 B8R1.5 CC1=C(Br)C=NC=C1 JZ0795 [0,0,0,0,0,1|2,0,0]=3 267 B8R1.5 CC1=C(C)C=CC=C1 LQ0273 [0,0,0,0,0,1|2,0,0]=3 268 B8R1.5 CC1=C(C)C=NC=C1 XJ1007 [0,0,0,0,0,1|2,0,0]=3 269 B8R1.5 CC1=C(Cl)C=CN=C1 LQ1897 [0,0,0,0,0,1|2,0,0]=3 270 B8R1.5 CC1=C(Cl)C=CN=C1 XJ4531 [0,0,0,0,0,1|2,0,0]=3 271 B8R1.5 CC1=C(F)C=CC=C1 YH97940 [0,0,0,0,0,1|2,0,0]=3 272 B8R1.5 CC1=C(F)C=CC=N1 JZ5076 [0,0,0,0,0,1|2,0,0]=3 273 B8R1.5 CC1=C(F)C=NC=C1 YH59267 [0,0,0,0,0,1|2,0,0]=3 274 B8R1.5 CC1=C(N)C=NC=C1 RT2358 [0,0,0,0,0,1|2,0,0]=3 275 B8R1.5 CC1=C(N)N=CC=C1 CJ2791 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.5 CC1=C(O)C=CN=C1 XJ4659 [0,0,0,0,0,1|1,1,0]=3 277 B8R1.5 CC1=C(O)C=NC=C1 YH25048 [0,0,0,0,0,1|1,1,0]=3 278 B8R1.5 CC1=CC=CC=C1N JZ4019 [0,0,0,0,0,1|2,0,0]=3 279 B8R1.5 CC1=CC=CC=C1N LQ0277 [0,0,0,0,0,1|2,0,0]=3 280 B8R1.5 CC1=CC=CN=C1Br JZ0769 [0,0,0,0,0,1|2,0,0]=3 281 B8R1.5 CC1=CC=CN=C1O HL0576 [0,0,0,0,0,1|1,1,0]=3 282 B8R1.5 CC1=CN=CC=C1Br YH00293 [0,0,0,0,0,1|2,0,0]=3 283 B8R1.5 CC1=CN=CC=C1N JZ1864 [0,0,0,0,0,1|2,0,0]=3 284 B8R1.5 CC1=NC=CC=C1Br LQ4989 [0,0,0,0,0,1|2,0,0]=3 285 B8R1.5 CC1=NC=CC=C1Cl YH65571 [0,0,0,0,0,1|2,0,0]=3 286 B8R1.5 CC1=NC=CC=C1N HL2564 [0,0,0,0,0,1|2,0,0]=3 287 B8R1.5 CC1=NC=CC=C1O LT5849 [0,0,0,0,0,1|1,1,0]=3 288 B8R1.5 CC1=NC=CN=C1Cl LQ0279 [0,0,0,0,0,1|2,0,0]=3 289 B8R1.5 CC1=NC=CN=C1N YH43939 [0,0,0,0,0,1|2,0,0]=3 290 B8R1.5 CC1=NC=NC=C1N LQ2453 [0,0,0,0,0,1|2,0,0]=3 291 B8R1.5 CC1=[N+]([O-])C=CC=C1 JZ0744 [0,0,0,0,0,1|2,1,0]=4 292 B8R1.5 CN1C=CC=CC1=O LQ1352 [0,0,0,0,0,1|2,1,0]=4 293 B8R1.5 CN1C=CC=NC1=O YH57685 [0,0,0,0,0,1|2,1,0]=4 294 B8R1.5 ClC1=C(Br)C=CC=C1 LT0061 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.5 ClC1=C(Br)C=CN=C1 HL4512 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.5 ClC1=C(Br)C=NC=C1 XJ5248 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.5 ClC1=C(Cl)C=NC=C1 LQ5346 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.5 ClC1=C(Cl)N=CC=C1 JZ1997 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.5 ClC1=C(Cl)N=CC=N1 RT11165 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.5 ClC1=C(I)C=CC=C1 HL0203 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.5 ClC1=C(I)C=NC=N1 YH11357 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.5 ClC1=CN=CN=C1Cl LX2461 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.5 ClC1=NC=CC=C1Br LT2446 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.5 ClC1=NC=CC=C1I LT3926 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.5 ClC1=NC=CC=C1I RT17630 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.5 FC1=C(Br)C=CC=C1 LT1562 [0,0,0,0,0,1|3,0,0]=4 307 B8R1.5 FC1=C(Br)C=CC=N1 LQ4912 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.5 FC1=C(Br)C=NC=C1 LL1934 [0,0,0,0,0,1|3,0,0]=4 309 B8R1.5 FC1=C(Cl)C=CC=C1 LQ0714 [0,0,0,0,0,1|3,0,0]=4 310 B8R1.5 FC1=C(Cl)C=CN=C1 LQ2223 [0,0,0,0,0,1|3,0,0]=4 311 B8R1.5 FC1=C(Cl)C=CN=C1 XJ6907 [0,0,0,0,0,1|3,0,0]=4 312 B8R1.5 FC1=C(F)C=CC=C1 LT0041 [0,0,0,0,0,1|3,0,0]=4 313 B8R1.5 FC1=C(F)C=NC=C1 LX3232 [0,0,0,0,0,1|3,0,0]=4 314 B8R1.5 FC1=C(F)N=CC=C1 LQ1799 [0,0,0,0,0,1|3,0,0]=4 315 B8R1.5 FC1=C(I)C=CC=C1 LQ0715 [0,0,0,0,0,1|3,0,0]=4 316 B8R1.5 FC1=C(I)C=CN=C1 XJ4663 [0,0,0,0,0,1|3,0,0]=4 317 B8R1.5 FC1=C(S)C=CC=C1 LQ2244 [0,0,0,0,0,1|2,0,0]=3 318 B8R1.5 FC1=CC=CN=C1Br LQ5002 [0,0,0,0,0,1|3,0,0]=4 319 B8R1.5 FC1=CC=CN=C1Cl LT3265 [0,0,0,0,0,1|3,0,0]=4 320 B8R1.5 FC1=CC=NC=C1Cl YH92131 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.5 FC1=CN=CC=C1Br LQ2222 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.5 FC1=NC=CC=C1Cl HL0870 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.5 FC1=NC=CC=C1I LT3358 [0,0,0,0,0,1|3,0,0]=4 324 B8R1.5 IC1=C(I)C=CC=C1 HL0204 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.5 IC1=CC=CN=C1I LT3876 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.5 NC1=C(Br)C=CC=N1 LQ3666 [0,0,0,0,0,1|3,0,0]=4 327 B8R1.5 NC1=C(Br)C=CN=C1 YH48633 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.5 NC1=C(Br)C=NC=C1 LQ3665 [0,0,0,0,0,1|3,0,0]=4 329 B8R1.5 NC1=C(Cl)C=CN=C1 JZ5401 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.5 NC1=C(F)C=CC=C1 LT6543 [0,0,0,0,0,1|3,0,0]=4 331 B8R1.5 NC1=C(F)C=NC=C1 XJ2124 [0,0,0,0,0,1|3,0,0]=4 332 B8R1.5 NC1=C(I)C=CC=C1 HL0205 [0,0,0,0,0,1|3,0,0]=4 333 B8R1.5 NC1=C(I)C=NC=C1 XJ6581 [0,0,0,0,0,1|3,0,0]=4 334 B8R1.5 NC1=C(N)C=CC=C1 LT7286 [0,0,0,0,0,1|3,0,0]=4 335 B8R1.5 NC1=C(N)C=NC=C1 LQ0029 [0,0,0,0,0,1|3,0,0]=4 336 B8R1.5 NC1=C(N)N=CN=C1 XJ3980 [0,0,0,0,0,1|3,0,0]=4 337 B8R1.5 NC1=C(O)C=CC=N1 LT0236 [0,0,0,0,0,1|2,1,0]=4 338 B8R1.5 NC1=C(O)C=CN=C1 LQ3070 [0,0,0,0,0,1|2,1,0]=4 339 B8R1.5 NC1=C(O)C=NC=C1 RT2267 [0,0,0,0,0,1|2,1,0]=4 340 B8R1.5 NC1=C(O)N=CC=C1 LX2871 [0,0,0,0,0,1|2,1,0]=4 341 B8R1.5 NC1=CC=CC=C1Br HL0202 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.5 NC1=CC=CC=C1O LT0278 [0,0,0,0,0,1|2,1,0]=4 343 B8R1.5 NC1=CC=CC=C1S LL0580 [0,0,0,0,0,1|2,0,0]=3 344 B8R1.5 NC1=CC=CN=C1Br YH59182 [0,0,0,0,0,1|3,0,0]=4 345 B8R1.5 NC1=CC=CN=C1Cl LT6701 [0,0,0,0,0,1|3,0,0]=4 346 B8R1.5 NC1=CC=CN=C1F LX2048 [0,0,0,0,0,1|3,0,0]=4 347 B8R1.5 NC1=CC=CN=C1I YH45611 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.5 NC1=CC=CN=C1N YH15322 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.5 NC1=CC=NC=C1Cl RT2201 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.5 NC1=NC=CC=C1Cl XJ5382 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.5 NC1=NC=CC=C1F LQ4289 [0,0,0,0,0,1|3,0,0]=4 352 B8R1.5 NC1=NC=CC=C1I LT3192 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.5 NC1=NC=CN=C1Cl JZ3005 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.5 O=C1N=CNC=C1Br YH65490 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.5 O=C1N=CNC=C1O LX2213 [0,0,0,0,0,1|2,1,0]=4 356 B8R1.5 O=C1OC=CC=C1O YH03412 [0,0,0,0,0,1|1,1,0]=3 357 B8R1.5 OC1=C(Br)C=CC=C1 LQ0278 [0,0,0,0,0,1|2,1,0]=4 358 B8R1.5 OC1=C(Br)C=CN=C1 RT1983 [0,0,0,0,0,1|2,1,0]=4 359 B8R1.5 OC1=C(Br)C=NC=C1 XJ5247 [0,0,0,0,0,1|2,1,0]=4 360 B8R1.5 OC1=C(Cl)C=CN=C1 HL4980 [0,0,0,0,0,1|2,1,0]=4 361 B8R1.5 OC1=C(F)C=CC=C1 LT6549 [0,0,0,0,0,1|2,1,0]=4 362 B8R1.5 OC1=C(I)C=CC=C1 LL0943 [0,0,0,0,0,1|2,1,0]=4 363 B8R1.5 OC1=C(I)C=CN=C1 CJ2110 [0,0,0,0,0,1|2,1,0]=4 364 B8R1.5 OC1=C(O)C=NC=C1 LX3240 [0,0,0,0,0,1|2,1,0]=4 365 B8R1.5 OC1=C(O)N=CC=C1 LT0084 [0,0,0,0,0,1|2,1,0]=4 366 B8R1.5 OC1=CC=CC=C1O LL0488 [0,0,0,0,0,1|2,1,0]=4 367 B8R1.5 OC1=CC=CN=C1Br CJ2954 [0,0,0,0,0,1|2,1,0]=4 368 B8R1.5 OC1=CC=CN=C1F HL3683 [0,0,0,0,0,1|2,1,0]=4 369 B8R1.5 OC1=CC=CN=C1I LT3366 [0,0,0,0,0,1|2,1,0]=4 370 B8R1.5 OC1=NC=CC=C1Br LT5508 [0,0,0,0,0,1|2,1,0]=4 371 B8R1.5 OC1=NC=CC=C1F JZ4618 [0,0,0,0,0,1|2,1,0]=4 372 B8R1.5 [15NH2]C1=CC=CC=C1[15NH2] RT2962 [0,0,0,0,0,1|3,0,0]=4 373 B5R0.1 C=C(C)OCC LT1730 [1,0,1,0,0,0|0,0,2]=4 374 B5R0.1 C=CCC(C)O XJ1184 [1,0,1,0,0,0|0,0,2]=4 375 B5R0.1 C=COC(C)=O LQ0375 [1,0,1,0,0,0|0,1,0]=3 376 B5R0.1 C=COC(C)=O LQ4456 [1,0,1,0,0,0|0,1,0]=3 377 B5R0.1 C=COC(C)=O XJ3468 [1,0,1,0,0,0|0,1,0]=3 378 B5R0.1 C=COC(N)=O RT4835 [1,0,1,0,0,0|1,1,0]=4 379 B5R0.1 CC(=O)\C=N\O LT6064 [1,0,1,0,0,0|1,1,0]=4 380 B5R0.1 CC(C)=CCO LT3091 [1,0,1,0,0,0|1,0,1]=4 381 B5R0.1 C\C(Cl)=C\CO RT17544 [1,0,1,0,0,0|1,0,1]=4 382 B5R0.1 C\C(I)=C/CO RT17534 [1,0,1,0,0,0|1,0,1]=4 383 B5R0.1 C\C=C\C(=O)O HL1378 [1,0,1,0,0,0|1,0,1]=4 384 B5R0.2 C=CC\C=C\C HL0119 [1,0,1,0,0,0|1,0,1]=4 385 B5R0.2 C=C\C=C\C=O XJ1340 [1,0,1,0,0,0|0,0,2]=4 386 B5R0.2 CCO\C=C\Cl RT17648 [1,0,1,0,0,0|1,0,1]=4 387 B5R0.2 CO\C=C\C#N LT6188 [1,0,1,0,0,0|1,0,1]=4 388 B5R0.3 C=CC(=O)OC SY0292 [1,0,1,0,0,0|1,0,1]=4 389 B5R0.3 C\C=C(/C)C=O XJ0816 [1,0,1,0,0,0|0,1,1]=4 390 B5R0.5 C=C(Br)C(=O)O LQ3418 [1,0,1,0,0,0|2,0,0]=4 391 B5R0.5 C=C(C)C(=O)Cl HL0545 [1,0,1,0,0,0|1,1,0]=4 392 B5R0.5 C=C(C)C(=O)O XJ0087 [1,0,1,0,0,0|1,1,0]=4 393 B5R0.5 C=C(C)C(=O)[O-] LQ1630 [1,0,1,0,0,0|1,1,0]=4 394 B5R0.5 C=C(C)C(C)=O LQ1438 [1,0,1,0,0,0|0,1,1]=4 395 B5R0.5 C=C(F)C(=O)O YH01395 [1,0,1,0,0,0|2,0,0]=4 396 B5R1.1 C1=CCC=C1 HL0727 [2,0,0,0,0,0|1,0,0]=3 397 B5R1.1 C1=CCC=C1 LQ3537 [2,0,0,0,0,0|1,0,0]=3 398 B5R1.1 C1=CCC=C1 XJ0961 [2,0,0,0,0,0|1,0,0]=3 399 B5R1.1 C1=CNC=N1 YH35329 [2,0,0,0,0,0|2,0,0]=4 400 B5R1.1 C1=CNN=C1 LL0624 [2,0,0,0,0,0|2,0,0]=4 401 B5R1.1 C1=COC=C1 RT8598 [2,0,0,0,0,0|0,0,0]=2 402 B5R1.1 C1=COCC1 RT14584 [2,0,0,0,0,0|0,0,2]=4 403 B5R1.1 C1=CON=C1 LL0625 [2,0,0,0,0,0|1,0,0]=3 404 B5R1.1 C1=CSN=C1 YH52084 [2,0,0,0,0,0|1,1,0]=4 405 B5R1.1 C1=[C-]CC=C1 LQ3516 [2,0,0,0,0,0|1,0,1]=4 406 B7R0.3 CO\C=C\C(=O)OC HL3008 [0,1,1,0,0,0|1,1,0]=4 407 B7R0.1 CC\C=C\C=C\C=O LQ2607 [0,1,1,0,0,0|1,1,0]=4 408 B7R0.4 C\C=C\C=C\C(=O)[O-] LQ4414 [0,1,1,0,0,0|1,1,0]=4 409 B7R1.1 BrCC1=CSC=N1 YH05414 [1,1,0,0,0,0|2,0,0]=4 410 B7R1.1 BrCC1=NC=CN1 RT8753 [1,1,0,0,0,0|2,0,0]=4 411 B7R1.1 C#CC1=CSC=C1 HL4323 [1,1,0,0,0,0|1,1,0]=4 412 B7R1.1 CCC1=CC=CS1 XJ1420 [1,1,0,0,0,0|0,1,0]=3 413 B7R1.1 CCC1=NC=CN1 LT6532 [1,1,0,0,0,0|2,0,0]=4 414 B7R1.1 COC1=CC=CO1 XJ4809 [1,1,0,0,0,0|0,0,0]=2 415 B7R1.1 COC1=NC=CS1 JZ1049 [1,1,0,0,0,0|1,1,0]=4 416 B7R1.1 CSC1=NC=CS1 JZ0965 [1,1,0,0,0,0|1,1,0]=4 417 B7R1.1 ClCC1=CC=CS1 LT1710 [1,1,0,0,0,0|0,1,0]=3 418 B7R1.1 ClCC1=NC=CO1 YH65723 [1,1,0,0,0,0|1,0,0]=3 419 B7R1.1 N#CC1=CC=CS1 HL0573 [1,1,0,0,0,0|0,1,1]=4 420 B7R1.1 N#CC1=COC=C1 XJ5045 [1,1,0,0,0,0|1,0,0]=3 421 B7R1.1 N#CC1=NOC=C1 YH13980 [1,1,0,0,0,0|2,0,0]=4 422 B7R1.1 NCC1=CC=CO1 RT4371 [1,1,0,0,0,0|0,0,0]=2 423 B7R1.1 NCC1=CC=CS1 LT5820 [1,1,0,0,0,0|0,1,0]=3 424 B7R1.1 NCC1=CSC=C1 YH51468 [1,1,0,0,0,0|1,1,0]=4 425 B7R1.1 NCC1=NC=CO1 YH92552 [1,1,0,0,0,0|1,0,0]=3 426 B7R1.1 O=CC1=CC=CN1 HL3957 [1,1,0,0,0,0|1,0,1]=4 427 B7R1.1 O=CC1=CC=CN1 RT5965 [1,1,0,0,0,0|1,0,1]=4 428 B7R1.1 O=CC1=CC=CS1 LT6658 [1,1,0,0,0,0|0,1,1]=4 429 B7R1.1 O=CC1=CSC=C1 LT0654 [1,1,0,0,0,0|0,2,0]=4 430 B7R1.1 O=CC1=NOC=C1 YH93674 [1,1,0,0,0,0|1,1,0]=4 431 B7R1.1 OCC1=CC=CN1 RT14126 [1,1,0,0,0,0|1,0,0]=3 432 B7R1.1 OCC1=CC=CO1 XJ0217 [1,1,0,0,0,0|0,0,0]=2 433 B7R1.1 OCC1=CN=CS1 LT6037 [1,1,0,0,0,0|1,1,0]=4 434 B7R1.1 OCC1=CNC=C1 RT14164 [1,1,0,0,0,0|1,1,0]=4 435 B7R1.1 OCC1=CNC=N1 LT5215 [1,1,0,0,0,0|2,0,0]=4 436 B7R1.1 OCC1=CNC=N1 LT6077 [1,1,0,0,0,0|2,0,0]=4 437 B7R1.1 OCC1=CSC=C1 LT2643 [1,1,0,0,0,0|0,2,0]=4 438 B7R1.1 OCC1=NC=CN1 YH57629 [1,1,0,0,0,0|2,0,0]=4 439 B7R1.1 OCC1=NC=CS1 LQ3757 [1,1,0,0,0,0|1,1,0]=4 440 B7R1.1 OCC1=NNC=C1 JZ5592 [1,1,0,0,0,0|2,0,0]=4 441 B7R1.1 SCC1=CC=CO1 LL2412 [1,1,0,0,0,0|0,0,0]=2 442 B7R1.2 BrC1=CC=C(Br)S1 LT0144 [1,1,0,0,0,0|1,1,0]=4 443 B7R1.2 BrC1=CSC(Br)=C1 LQ2406 [1,1,0,0,0,0|1,1,0]=4 444 B7R1.2 CC1=CC(=O)CC1 HL2331 [1,1,0,0,0,0|1,0,1]=4 445 B7R1.2 CC1=CC(C)=NN1 YH13269 [1,1,0,0,0,0|2,0,0]=4 446 B7R1.2 CC1=CC(C)=NO1 LL0658 [1,1,0,0,0,0|1,0,0]=3 447 B7R1.2 CC1=CC(N)=NN1 LT6115 [1,1,0,0,0,0|2,0,0]=4 448 B7R1.2 CC1=CC(N)=NO1 JZ4347 [1,1,0,0,0,0|1,0,0]=3 449 B7R1.2 CC1=CC=C(C)N1 XJ1201 [1,1,0,0,0,0|1,0,0]=3 450 B7R1.2 CC1=CC=C(C)O1 JZ0985 [1,1,0,0,0,0|0,0,0]=2 451 B7R1.2 CC1=CC=C(C)S1 LT0161 [1,1,0,0,0,0|0,1,0]=3 452 B7R1.2 CC1=CCC(=O)O1 HL0093 [1,1,0,0,0,0|0,0,1]=3 453 B7R1.2 CC1=CN=C(Br)S1 XJ5466 [1,1,0,0,0,0|1,1,0]=4 454 B7R1.2 CC1=CN=C(Cl)S1 YH55067 [1,1,0,0,0,0|1,1,0]=4 455 B7R1.2 CC1=CN=C(N)O1 YH54873 [1,1,0,0,0,0|1,0,0]=3 456 B7R1.2 CC1=CN=C(N)S1 LT5981 [1,1,0,0,0,0|1,1,0]=4 457 B7R1.2 CC1=CNC(C)=C1 XJ1200 [1,1,0,0,0,0|1,0,0]=3 458 B7R1.2 CC1=CNC(C)=N1 LQ1550 [1,1,0,0,0,0|2,0,0]=4 459 B7R1.2 CC1=COC(N)=N1 LQ4845 [1,1,0,0,0,0|2,0,0]=4 460 B7R1.2 CC1=CSC(Br)=N1 LQ3204 [1,1,0,0,0,0|2,0,0]=4 461 B7R1.2 CC1=CSC(C)=N1 JZ0982 [1,1,0,0,0,0|1,1,0]=4 462 B7R1.2 CC1=CSC(N)=N1 YH56147 [1,1,0,0,0,0|2,0,0]=4 463 B7R1.2 CC1=NC(I)=CN1 LL1307 [1,1,0,0,0,0|2,0,0]=4 464 B7R1.2 CC1=NNC(=O)O1 YH53438 [1,1,0,0,0,0|2,0,0]=4 465 B7R1.2 CN1C=C(Br)C=N1 JZ5026 [1,1,0,0,0,0|2,0,0]=4 466 B7R1.2 CN1C=CC(N)=N1 YH42950 [1,1,0,0,0,0|2,0,0]=4 467 B7R1.2 ClC1=CC=C(Br)S1 LQ2313 [1,1,0,0,0,0|1,1,0]=4 468 B7R1.2 O=C1C=CC(=O)N1 LT7482 [1,1,0,0,0,0|2,0,0]=4 469 B7R1.2 O=C1C=CC(=O)O1 LQ0391 [1,1,0,0,0,0|1,0,0]=3 470 B7R1.2 O=C1C=CC(=O)O1 LT3790 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.2 BrCC1=CC(Br)=CC=C1 LT6733 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.2 BrCC1=NC(Br)=CC=C1 LL1506 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.2 C#CC1=CC(C)=CC=C1 XJ1365 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.2 C=CC1=CC=CC(C)=C1 LQ4468 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.2 C=CC1=CC=CC(C)=N1 CJ2757 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.2 CC1=CC(C#N)=CC=C1 LT7492 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.2 CC1=CC(C=O)=CC=C1 JZ3952 [0,1,0,0,0,1|1,1,0]=4 478 B9R1.2 CC1=CC(CCl)=NC=C1 YH58257 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.2 CC1=CC(CN)=CC=C1 LQ0295 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.2 CC1=CC(CO)=NC=C1 YH01119 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.2 CC1=CC(NN)=CC=C1 LL0975 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.2 CC1=CC=CC(C#N)=N1 XJ1866 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.2 CC1=CC=CC(C=O)=N1 HL0653 [0,1,0,0,0,1|1,1,0]=4 484 B9R1.2 CC1=CC=CC(CO)=N1 HL0652 [0,1,0,0,0,1|1,1,0]=4 485 B9R1.2 CC1=NC(C=O)=CC=N1 HL0584 [0,1,0,0,0,1|1,1,0]=4 486 B9R1.2 CC1=NC(CO)=CC=N1 YH65643 [0,1,0,0,0,1|1,1,0]=4 487 B9R1.2 CC1=NC=CC(CCl)=C1 RT9279 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.2 CC1=NC=CC(CN)=C1 RT9263 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.2 CCC1=CC(C)=CC=C1 JZ3949 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.2 CCC1=CC=CC(Br)=C1 XJ2282 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.2 CCC1=CC=CC(N)=C1 XJ1048 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.2 CCC1=CC=CC(O)=C1 YH10409 [0,1,0,0,0,1|1,1,0]=4 493 B9R1.2 CNC1=CC=CC(C)=C1 LQ1364 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.2 COC1=CC(Br)=CC=C1 JZ1081 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.2 COC1=CC(N)=CC=C1 RT2821 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.2 COC1=CC=CC(Br)=N1 LQ5038 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.2 COC1=CC=CC(N)=N1 YH41174 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.2 COC1=CC=CC(O)=C1 LQ0600 [0,1,0,0,0,1|1,1,0]=4 499 B9R1.2 COC1=CC=CC(O)=N1 YH47507 [0,1,0,0,0,1|1,1,0]=4 500 B9R1.2 COC1=NC(C)=CC=C1 LT1773 [0,1,0,0,0,1|1,1,0]=4 501 B9R1.2 COC1=NC=CC(Br)=C1 XJ6753 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.2 COC1=NC=CC(F)=C1 HL4973 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.2 COC1=NC=CC(I)=C1 YH98675 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.2 COC1=NC=CC(N)=C1 LQ4219 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.2 CSC1=CC(Cl)=CC=C1 XJ2763 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.2 CSC1=CC(Cl)=CC=C1 XJ4867 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.2 CSC1=CC(I)=CC=C1 YH31373 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.2 CSC1=CC=CC(F)=C1 XJ1274 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.2 CSC1=CC=CC(N)=C1 LT2494 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.2 CSC1=CC=NC(Cl)=N1 YH03519 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.2 CSC1=NC(C)=CN=C1 LT2313 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.2 CSC1=NC(Cl)=CC=N1 YH03518 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.2 CSC1=NC=CC(=O)N1 XJ2986 [0,1,0,0,0,1|1,1,0]=4 514 B9R1.2 FC1=CC=CC(CCl)=C1 HL1820 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.2 NCC1=CC(Br)=CC=C1 XJ3599 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.2 NCC1=CC(I)=CC=C1 LQ1363 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.2 NCC1=CC(N)=CC=C1 LT2553 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.2 NCC1=CC=CC(Cl)=C1 LT6763 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.2 OC1=CC=CC(CCl)=C1 LT2488 [0,1,0,0,0,1|1,1,0]=4 520 B9R1.2 OCC1=CC(Cl)=CC=C1 XJ1427 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.2 OCC1=CC(F)=CC=C1 HL1821 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.2 OCC1=CC(I)=CC=C1 XJ5829 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.2 OCC1=CC=CC(Br)=C1 LT6732 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.2 OCC1=NC(Br)=CC=C1 LQ4787 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.2 OCC1=NC(Cl)=CC=C1 YH55308 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.2 OCC1=NC=CC(Br)=C1 YH31728 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.3 CC1=C(C)C(Br)=CC=C1 LX2997 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.3 CC1=C(C)C(N)=CC=C1 LT0096 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.3 CC1=C(C)C(O)=CC=C1 HL0747 [0,1,0,0,0,1|1,1,0]=4 530 B9R1.3 CC1=C(F)C(N)=CC=C1 LX2113 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.3 CC1=C(N)C(Cl)=CC=C1 RT2932 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.3 CC1=C(N)C(F)=CC=C1 XJ0750 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.3 CC1=C(O)C(=O)C=CO1 LQ0489 [0,1,0,0,0,1|0,1,0]=3 534 B9R1.3 CC1=C(S)C(Cl)=CC=C1 LQ4115 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.3 CC1=C([O-])C(=O)C=CO1 RT15399 [0,1,0,0,0,1|0,1,0]=3 536 B9R1.3 CC1=CC=CC(C)=C1Br JZ3826 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.3 CC1=CC=CC(F)=C1Br XJ5860 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.3 CC1=CC=CC(F)=C1Cl LL1929 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.3 CC1=CC=CC(N)=C1N XJ2239 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.3 CC1=NC=CC(N)=C1Cl RT12227 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.34 C1=C(N)C=C(C)C=C1C HL0749 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.34 CC1=CC(=O)OC(C)=C1 HL0328 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.34 CC1=CC(Br)=CC(Br)=C1 XJ1853 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.34 CC1=CC(C)=CC(C)=C1 LQ3517 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.34 CC1=CC(C)=CC(Cl)=C1 LQ1017 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.34 CC1=CC(C)=CC(F)=C1 HL1859 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.34 CC1=CC(C)=CC(S)=C1 LT6681 [0,1,0,0,0,1|1,0,0]=3 548 B9R1.34 CC1=CC(C)=NC(Br)=C1 XJ2797 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.34 CC1=CC(C)=NC(C)=C1 LT0102 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.34 CC1=CC(C)=NC(Cl)=C1 YH53556 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.34 CC1=CC(Cl)=CC(Br)=C1 YH54768 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 YH01231 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.34 CC1=CC(Cl)=NC(C)=N1 XJ2727 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.34 CC1=CC(F)=CC(F)=C1 LL1943 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.34 CC1=CC(F)=CC(O)=C1 LL2660 [0,1,0,0,0,1|1,1,0]=4 556 B9R1.34 CC1=CC(N)=CC(C)=N1 LQ2515 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.34 CC1=CC(N)=CC(F)=C1 LX2049 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.34 CC1=CC(N)=NC(C)=C1 HL2944 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.34 CC1=CC(N)=NC(C)=N1 HL1860 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.34 CC1=CC(O)=CC(=O)O1 HL0329 [0,1,0,0,0,1|0,1,0]=3 561 B9R1.34 CC1=CC(O)=CC(C)=N1 JZ3779 [0,1,0,0,0,1|1,1,0]=4 562 B9R1.34 CC1=CC(O)=NC(C)=C1 XJ4244 [0,1,0,0,0,1|1,1,0]=4 563 B9R1.34 CC1=NC(C)=NC(Br)=C1 YH56587 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.34 CC1=NC(Cl)=CC(N)=N1 YH40249 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.34 CC1=NC(O)=CC(O)=N1 LT6881 [0,1,0,0,0,1|1,1,0]=4 566 B9R1.34 NC1=NC(=O)C=C(S)N1 XJ3199 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.34 NC1=NC(N)=NC(S)=C1 YH07203 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.69 CC1=C(Br)C=CC(F)=C1 XJ0793 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.69 CC1=C(Br)C=CC(O)=C1 YH34913 [0,1,0,0,0,1|1,1,0]=4 570 B9R1.69 CC1=C(C)C=C(O)C=C1 LQ0281 [0,1,0,0,0,1|1,1,0]=4 571 B9R1.69 CC1=C(F)C=CC(Cl)=N1 YH92219 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.69 CC1=C(F)C=CC(N)=C1 XJ0797 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.69 CC1=C(I)C=CC(N)=N1 XJ6323 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.69 CC1=C(I)C=CC(O)=N1 YH96186 [0,1,0,0,0,1|1,1,0]=4 575 B9R1.69 CC1=C(N)C=CC(Br)=N1 LQ5483 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.69 CC1=C(N)C=CC(O)=C1 LT2719 [0,1,0,0,0,1|1,1,0]=4 577 B9R1.69 CC1=C(O)C=CC(Br)=C1 LQ2103 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.69 CC1=C(O)C=CC(Cl)=N1 YH65498 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.69 CC1=C(O)C=CC(O)=C1 LQ0285 [0,1,0,0,0,1|1,1,0]=4 580 B9R1.69 CC1=CC(=O)C(O)=CO1 RT15432 [0,1,0,0,0,1|0,1,0]=3 581 B9R1.69 CC1=CC(=O)C=CC1=O HL0031 [0,1,0,0,0,1|1,1,0]=4 582 B9R1.69 CC1=CC(Br)=C(N)C=C1 LT1676 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.69 CC1=CC(Br)=C(O)C=C1 YH12652 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.69 CC1=CC(Br)=CC=C1F LQ5174 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.69 CC1=CC(Br)=CC=C1N JZ3670 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.69 CC1=CC(Br)=CC=C1N LT6207 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.69 CC1=CC(C)=C(S)C=C1 JZ4786 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.69 CC1=CC(C)=NC=C1N YH27545 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.69 CC1=CC(Cl)=C(I)C=C1 HL3311 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.69 CC1=CC(Cl)=CC=C1Br LT1934 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.69 CC1=CC(Cl)=CC=C1Cl XJ4478 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.69 CC1=CC(Cl)=CC=C1N LT6087 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.69 CC1=CC(F)=C(Cl)C=C1 CJ2460 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.69 CC1=CC(I)=CC=C1F XJ0796 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.69 CC1=CC(I)=CC=C1N JZ3669 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.69 CC1=CC(N)=C(I)C=C1 YH31788 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.69 CC1=CC(N)=CC=C1Cl RT6370 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.69 CC1=CC(N)=CC=C1N LQ0284 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.69 CC1=CC(N)=CC=C1N LT1172 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.69 CC1=CC(N)=CC=C1O LT2718 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.69 CC1=CC(O)=C(C)C=C1 LQ0291 [0,1,0,0,0,1|1,1,0]=4 602 B9R1.69 CC1=CC(O)=C(O)C=C1 XJ0808 [0,1,0,0,0,1|1,1,0]=4 603 B9R1.69 CC1=CC(O)=CC=C1Cl YH09016 [0,1,0,0,0,1|1,1,0]=4 604 B9R1.69 CC1=CC(O)=CC=C1I LX2207 [0,1,0,0,0,1|1,1,0]=4 605 B9R1.69 CC1=CC(S)=CC=C1O RT13148 [0,1,0,0,0,1|1,0,0]=3 606 B9R1.69 CC1=CC=C(Br)C(Br)=C1 JZ2179 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.69 CC1=CC=C(Br)C(Br)=N1 YH50319 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 YH42152 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.69 CC1=CC=C(Br)C(O)=N1 YH57763 [0,1,0,0,0,1|1,1,0]=4 610 B9R1.69 CC1=CC=C(Br)C=C1C XJ1013 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.69 CC1=CC=C(C)C(Br)=C1 HL0030 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.69 CC1=CC=C(C)C(C)=N1 LT3798 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.69 CC1=CC=C(C)C(Cl)=C1 LT6510 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.69 CC1=CC=C(Cl)C(C)=C1 LQ0282 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 YH65554 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.69 CC1=CC=C(Cl)C(O)=C1 LT2298 [0,1,0,0,0,1|1,1,0]=4 617 B9R1.69 CC1=CC=C(F)C(Cl)=N1 LT3328 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.69 CC1=CC=C(F)C(N)=C1 XJ0807 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.69 CC1=CC=C(I)C(C)=C1 HL2726 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.69 CC1=CC=C(N)C(Br)=N1 LQ5485 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.69 CC1=CC=C(N)C(C)=N1 LT6121 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.69 CC1=CC=C(N)C(F)=C1 XJ0803 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.69 CC1=CC=C(O)C(C)=N1 LT6321 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.69 CC1=CC=C(O)C(F)=C1 HL4211 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.69 CC1=NC(Br)=C(F)C=C1 CJ2103 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.69 CC1=NC(Br)=CC=C1F LT3925 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.69 CC1=NC(Br)=CC=C1F LX2563 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.69 CC1=NC(Cl)=C(N)C=C1 YH59115 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.69 CC1=NC(Cl)=CC=C1Br LL2096 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.69 CC1=NC(Cl)=CC=C1N YH38501 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.69 CC1=NC(F)=C(Br)C=C1 LX2039 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.69 CC1=NC(F)=CC=C1N YH51909 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.69 CC1=NC(N)=C(Br)C=C1 LQ5482 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.69 CC1=NC(N)=C(O)C=C1 YH44732 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.69 NC1=CC=C(O)C(S)=C1 RT3602 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.15 BrCC1=C(Br)C=CC=C1 LT0304 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.15 BrCC1=C(I)C=CC=C1 LQ5027 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.15 C#CC1=CC=CC=C1C SY0118 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.15 C=CC1=CC=CC=C1C XJ1115 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.15 CC1=C(C#N)C=CC=C1 LQ0969 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.15 CC1=C(C#N)C=CN=C1 RT15452 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.15 CC1=C(C#N)C=NC=C1 LQ2868 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.15 CC1=C(C=O)C=CC=N1 YH09284 [0,1,0,0,0,1|1,1,0]=4 644 B9R1.15 CC1=CC=CC=C1C=O LQ0970 [0,1,0,0,0,1|1,1,0]=4 645 B9R1.15 CC1=CC=CC=C1CN XJ0151 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.15 CC1=CC=CN=C1C=O LX3316 [0,1,0,0,0,1|1,1,0]=4 647 B9R1.15 CC1=CC=CN=C1CN LT3920 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.15 CC1=CN=CN=C1CN RT2792 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.15 CC1=NC=CC=C1CCl RT8738 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.15 CCC1=C(Br)C=CC=C1 JZ1837 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.15 CCC1=C(Br)C=NC=C1 LQ4988 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.15 CCC1=C(C)C=CN=C1 LQ0971 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.15 CCC1=C(F)C=NC=N1 YH33319 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.15 CCC1=C(F)N=CC=C1 LT3213 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.15 CCC1=CC=CC=C1F RT10529 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.15 CCC1=CC=CC=C1I XJ4411 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.15 CCC1=CC=CC=C1S LT1736 [0,1,0,0,0,1|1,0,0]=3 658 B9R1.15 CCC1=CC=CN=C1N RT2490 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.15 CCC1=NC=CN=C1C JZ1026 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.15 CCC1=NC=CN=C1Cl YH11312 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.15 CNC1=C(F)C=CC=C1 RT3629 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.15 CNC1=CC=CC=C1C XJ1117 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.15 COC1=C(Br)C=CC=C1 LT0298 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.15 COC1=C(F)C=CC=C1 LT6544 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.15 COC1=C(I)C=CC=N1 XJ6838 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.15 COC1=C(N)C=NC=C1 YH55284 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.15 COC1=CC=CC=C1O LT7681 [0,1,0,0,0,1|1,1,0]=4 668 B9R1.15 COC1=CC=CN=C1Br XJ4798 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.15 COC1=CC=CN=C1C YH50584 [0,1,0,0,0,1|1,1,0]=4 670 B9R1.15 COC1=CC=CN=C1Cl XJ5647 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.15 COC1=CC=CN=C1N XJ3561 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.15 COC1=CC=CNC1=O XJ4627 [0,1,0,0,0,1|1,1,0]=4 673 B9R1.15 COC1=NC=CC=C1N LQ4218 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.15 COC1=NC=CN=C1Cl YH59416 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.15 CSC1=C(Cl)C=CC=C1 JZ5186 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.15 CSC1=C(F)C=CC=C1 XJ1257 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.15 CSC1=CC=CC=C1C JZ4854 [0,1,0,0,0,1|1,0,0]=3 678 B9R1.15 CSC1=CC=CC=C1I LQ4804 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.15 CSC1=CC=CC=C1O JZ4356 [0,1,0,0,0,1|1,1,0]=4 680 B9R1.15 ClC1=CC=CC=C1CBr XJ1116 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.15 ClCC1=CC=CC=C1Br JZ3842 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.15 FC1=C(CBr)C=CC=C1 XJ0768 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.15 FC1=CC=CC=C1CBr RT11192 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.15 NC1=C(CO)C=NC=C1 HL3458 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.15 NC1=CC=CC=C1CO LT2291 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.15 NC1=NC=CC=C1CO JZ5602 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.15 NCC1=C(I)C=CC=C1 YH59249 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.15 NCC1=C(N)C=CC=C1 YH52512 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.15 NCC1=C(O)C=CC=C1 LQ1562 [0,1,0,0,0,1|1,1,0]=4 690 B9R1.15 NCC1=CC=CC=C1Br LT0305 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.15 NCC1=CC=CC=C1Cl LT6512 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.15 NCC1=CC=CN=C1Cl YH66504 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.15 NCC1=CC=CNC1=O RT2213 [0,1,0,0,0,1|1,1,0]=4 694 B9R1.15 OC1=CC=CN=C1CBr XJ6520 [0,1,0,0,0,1|1,1,0]=4 695 B9R1.15 OCC1=C(Cl)C=CC=C1 LT1480 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.15 OCC1=C(Cl)C=CN=C1 HL3791 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.15 OCC1=C(F)C=CC=C1 XJ0769 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.15 OCC1=C(F)C=NC=C1 YH90998 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.15 OCC1=C(F)N=CC=C1 LT3420 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.15 OCC1=C(I)C=CC=C1 LQ2821 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.15 OCC1=CC=CC=C1Br LQ4155 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.15 OCC1=CC=NC=C1Cl YH65905 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.15 OCC1=NC=CC=C1O YH34195 [0,1,0,0,0,1|1,1,0]=4 704 B9R1.15 SCC1=C(Cl)C=CC=C1 XJ5403 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.22 CC1=C(CBr)OC(=O)O1 LT3155 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.22 CC1=C(CBr)OC(=O)O1 YH19640 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.22 CC1=C(CCl)OC(=O)O1 LX2325 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.27 CCC1=C(C)NC=C1C HL1948 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.27 CNC1=C(C)ON=C1C LT5929 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.33 CSSC1=C(C)OC=C1 LT5778 [0,2,0,0,0,0|0,0,0]=2 711 B9R1.41 CC(=O)C1=C(C)C=CS1 JZ4814 [0,2,0,0,0,0|1,1,0]=4 712 B9R1.41 CC1=C(C(=O)Cl)C=CO1 JZ2760 [0,2,0,0,0,0|0,1,0]=3 713 B9R1.41 CC1=C(C(=O)Cl)C=NO1 LT3452 [0,2,0,0,0,0|1,1,0]=4 714 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [0,2,0,0,0,0|0,1,0]=3 715 B9R1.41 CC1=C(C(=O)O)C=NO1 LQ5080 [0,2,0,0,0,0|1,1,0]=4 716 B9R1.41 CC1=C(C(=O)O)N=CO1 YH22337 [0,2,0,0,0,0|1,1,0]=4 717 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [0,2,0,0,0,0|1,0,1]=4 718 B9R1.37 C=C1OC(C)=C(O)C1=O RT14576 [0,2,0,0,0,0|0,1,0]=3 719 B9R1.37 CC1=C(Br)C(Br)=C(C)S1 CJ3182 [0,2,0,0,0,0|1,1,0]=4 720 B9R1.37 CC1=C(C)C(=O)OC1=O XJ1361 [0,2,0,0,0,0|2,0,0]=4 721 B9R1.37 CC1=C(C)C(C)=C(C)C1 LQ2601 [0,2,0,0,0,0|2,0,0]=4 722 B9R1.37 CC1=C(C)C(C)=C(C)N1 HL0581 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.37 CC1=C(C)C(C)=C(C)S1 LT0524 [0,2,0,0,0,0|1,1,0]=4 724 B9R1.37 CC1=C(C)C(I)=C(C)S1 LT0643 [0,2,0,0,0,0|1,1,0]=4 725 B9R1.37 CC1=C(O)C(=O)C(C)O1 XJ2534 [0,2,0,0,0,0|0,1,1]=4 726 B9R1.37 CC1=C(O)C(=O)OC1C LT2601 [0,2,0,0,0,0|1,0,1]=4 727 B9R1.37 CC1=C[C-](C)C(C)=C1C HL4715 [0,2,0,0,0,0|2,0,0]=4 728 B9R1.37 O=C1OC(=O)C(Cl)=C1Cl SY0095 [0,2,0,0,0,0|2,0,0]=4 729 B9R1.37 [2H]C1=C([2H])C([2H])=C(C)O1 RT14691 [0,2,0,0,0,0|1,0,0]=3 730 B9R1.37 [2H]C1=C([2H])C([2H])=C([2H])O1 RT8732 [0,2,0,0,0,0|2,0,0]=4 731 B7R1.3 CC1=CCC=CC1 LQ2664 [0,0,1,1,0,0|2,0,0]=4 732 B7R1.3 CC1=CN=CC=C1 JZ1098 [0,0,1,1,0,0|2,0,0]=4 733 B7R1.3 CC1=NC=CC=C1 JZ2441 [0,0,1,1,0,0|2,0,0]=4 734 B7R1.3 CC1=NC=CC=C1 JZ4543 [0,0,1,1,0,0|2,0,0]=4 735 B7R1.3 SC1=CC=CN=C1 YH37913 [0,0,1,1,0,0|2,0,0]=4 736 B7R1.3 SC1=CC=NC=C1 HL2794 [0,0,1,1,0,0|1,0,1]=4 737 B9R2.50 C1=CC=C2CCC2=C1 LQ1353 [0,0,0,1,0,1|2,0,0]=4