0 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC(Cl)=CS1 XJ5172 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)C1=CC=C(Br)S1 XJ2893 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.35 CC(=O)C1=CC=C(C)O1 JZ1181 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.35 CC(=O)C1=CC=C(Cl)S1 LQ1289 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 CC(=O)C1=CN(C)C=C1 JZ4275 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC1=CC(C(=O)O)=NO1 HL2548 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC1=CC=C(C(=O)Cl)S1 LT0712 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 CC1=CN=C(C(=O)O)O1 YH02221 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.35 CC1=CN=C(C(=O)O)S1 CJ2740 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 CC1=CNC(C(=O)O)=C1 YH42507 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC1=COC(C(=O)O)=N1 RT15003 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 CC1=CSC(C(=O)O)=C1 XJ4050 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CC1=CSC(C(=O)O)=N1 YH35093 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CC1=NC(C(=O)O)=CN1 RT14528 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 CC1=NC(C(=O)O)=CO1 RT14087 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC1=NC=C(C(=O)O)S1 YH59279 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 CC1=NNC(C(=O)O)=C1 YH14439 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 CC1=NOC(C(=O)O)=C1 LX2905 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CN1C=NC(C(=O)O)=C1 XJ5462 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CN1C=NC(C(=O)O)=N1 YH19919 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 NC1=NC(C(=O)O)=CS1 LT2287 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 NC1=NC(C(=O)O)=NN1 LT2544 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 LL0509 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 RT4824 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.35 N[C@H]1C=C[C@H](C(=O)O)C1 YH65621 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.35 O=C(O)C1=CC(Br)=CS1 LQ3954 [0,0,0,0,0,0|2,1,0]=3 28 B9R1.35 O=C(O)C1=CC(Br)=CS1 RT8377 [0,0,0,0,0,0|2,1,0]=3 29 B9R1.35 O=C(O)C1=CC=C(Br)S1 JZ0392 [0,0,0,0,0,0|0,1,0]=1 30 B9R1.35 O=C(O)C1=CC=C(Cl)S1 XJ4788 [0,0,0,0,0,0|0,0,0]=0 31 B9R1.35 O=C(O)C1=COC(F)=N1 RT15298 [0,0,0,0,0,0|2,1,0]=3 32 B9R1.35 O=C(O)C1=CSC(Br)=N1 JZ0401 [0,0,0,0,0,0|2,1,0]=3 33 B9R1.35 O=C(O)C1=NC(Br)=CO1 RT15489 [0,0,0,0,0,0|2,1,0]=3 34 B9R1.35 O=C(O)C1=NNC(Br)=C1 YH32024 [0,0,0,0,0,0|3,1,0]=4 35 B9R1.35 O=C1C=C(C(=O)O)CC1 LX3058 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)N1 XJ5843 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.35 OB(O)C1=CC=C(Cl)S1 LL2364 [0,0,0,0,0,0|1,0,1]=2 38 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.1 CC1=CSC(C=O)=N1 YH33412 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 CC1=NC=C(C=O)S1 YH20366 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.1 ClCC1=CC=C(Cl)S1 XJ4740 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.1 ClCC1=CN=C(Cl)S1 CJ3020 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.1 N#CC1=CC=C(Br)S1 YH46505 [1,0,0,0,0,0|1,1,1]=4 45 B8R1.1 NC1=NC=C(C=O)S1 HL0577 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.1 NC1=NC=C(CO)S1 RT4658 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.1 NCC1=CN=C(Cl)S1 YH28200 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.1 O=CC1=CC(Br)=CN1 RT4583 [1,0,0,0,0,0|2,1,0]=4 49 B8R1.1 O=CC1=CC(Br)=CO1 JZ5461 [1,0,0,0,0,0|2,1,0]=4 50 B8R1.1 O=CC1=CC(Br)=CS1 LQ4096 [1,0,0,0,0,0|2,1,0]=4 51 B8R1.1 O=CC1=CC=C(Br)O1 RT15017 [1,0,0,0,0,0|0,2,0]=3 52 B8R1.1 O=CC1=CC=C(I)O1 XJ2246 [1,0,0,0,0,0|0,2,0]=3 53 B8R1.1 O=CC1=CN=C(Cl)S1 YH97918 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.1 O=CC1=CSC(Br)=N1 LQ2841 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.7 CC(=O)C1=CN=NS1 YH33246 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 N=C(N)C1=CC=CS1 LT0593 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [1,0,0,0,0,0|1,1,0]=3 62 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.7 O=C(Cl)C1=COC=C1 YH50424 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 O=C(Cl)C1=CSC=C1 YH00609 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [1,0,0,0,0,0|0,1,0]=2 67 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [1,0,0,0,0,0|0,1,0]=2 68 B8R1.7 O=C(O)C1=CC=NS1 YH21736 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.7 O=C(O)C1=CN=NN1 LT6005 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.7 O=C(O)C1=CNN=C1 RT14194 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.7 O=C(O)C1=COC=N1 LQ4340 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 O=C(O)C1=COCC1 YH98627 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.7 O=C(O)C1=NC=CS1 JZ4900 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.7 O=C(O)C1=NNC=C1 XJ1870 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.7 O=C(O)C1=NOC=C1 JZ2260 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.7 O=C(O)C1C=CC=C1 LT5432 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.7 O=C(O)C1CC=CC1 LQ3326 [1,0,0,0,0,0|1,0,2]=4 81 B8R1.7 O=C(O)[C@@H]1C=CCN1 LX2096 [1,0,0,0,0,0|1,0,2]=4 82 B8R1.7 O=[N+]([O-])C1=CC=CS1 XJ1078 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.7 O=[S@@]([Fe+])C1=CC=CC1 HL3389 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.7 OB(O)C1=CC=CO1 XJ3842 [1,0,0,0,0,0|1,1,1]=4 85 B8R1.7 OB(O)C1=CC=CS1 XJ3044 [1,0,0,0,0,0|1,0,1]=3 86 B8R1.7 OB(O)C1=CN=CS1 YH97029 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.14 COC(=O)C1=CC=C(N)S1 YH35219 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.14 COC(=O)C1=CN=C(N)S1 LX2982 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.14 COC(=O)C1=CSC(Br)=N1 YH39369 [0,1,0,0,0,0|2,1,0]=4 90 B10R1.14 COC(=O)C1=CSC(Cl)=N1 YH00700 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.14 COC(=O)C1=CSC(N)=N1 RT15694 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 LT0706 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.31 CCC1=CC=C(C(C)=O)O1 YH48755 [0,1,0,0,0,0|2,1,0]=4 94 B10R1.31 COC1=CN=C(C(=O)O)O1 RT15406 [0,1,0,0,0,0|2,1,0]=4 95 B10R1.31 O=CC1=CC=C(B(O)O)S1 JZ2483 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.31 O=CC1=CC=C(C(=O)O)S1 LX2585 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.55 C[Si](C)(C)C1=CC=C(Cl)S1 LT0552 [0,1,0,0,0,0|2,1,0]=4 98 B10R1.55 NS(=O)(=O)C1=CC=C(Br)S1 LQ5269 [0,1,0,0,0,0|1,1,1]=4 99 B10R1.55 NS(=O)(=O)C1=CC=C(Cl)S1 LQ5270 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.55 O=S(=O)(Cl)C1=CC=C(Br)S1 LQ5338 [0,1,0,0,0,0|1,1,1]=4 101 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 HL2336 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 LT0623 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 LQ3077 [0,1,0,0,0,0|0,1,0]=2 104 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 LT0658 [0,1,0,0,0,0|0,1,0]=2 105 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 LT2429 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 LT5844 [0,1,0,0,0,0|1,1,0]=3 107 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 HL2755 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 YH47996 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 YH88993 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.59 CN1N=C(Cl)C=C1C(=O)O YH66656 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 LQ4910 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.9 C=CC(=O)CCC(=O)O RT1271 [0,0,1,0,0,0|2,0,1]=4 113 B8R0.23 C=C(CC(=O)O)C(=O)O LT3976 [0,0,1,0,0,0|3,0,0]=4 114 B8R0.28 O=C(O)\C=C\CC(=O)O RT17597 [0,0,1,0,0,0|1,1,1]=4 115 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [0,0,0,0,0,1|2,1,0]=4 116 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [0,0,0,0,0,1|2,0,0]=3 118 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 YH07034 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [0,0,0,0,0,1|2,1,0]=4 120 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HL3496 [0,0,0,0,0,1|2,1,0]=4 123 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [0,0,0,0,0,1|2,1,0]=4 124 B10R1.13 CC1=CC=C(C(=O)O)C=C1 JZ0130 [0,0,0,0,0,1|2,0,0]=3 125 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [0,0,0,0,0,1|2,0,0]=3 126 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.13 CC1=CC=C(S(=O)O)C=C1 LL0969 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [0,0,0,0,0,1|2,0,0]=3 129 B10R1.13 CC1=NC=C(C(=O)O)C=N1 YH04926 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.13 CC1=NC=C(C(=O)O)N=C1 LT1326 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 HL3245 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [0,0,0,0,0,1|2,1,0]=4 133 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [0,0,0,0,0,1|2,1,0]=4 135 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [0,0,0,0,0,1|2,1,0]=4 136 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 NC(=O)C1=NC=C(N)C=C1 YH35056 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 YH49579 [0,0,0,0,0,1|2,1,0]=4 139 B10R1.13 NC1=CC=C(C(=O)O)C=C1 RT3381 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.13 NC1=CC=C(C(=O)O)C=N1 LT3585 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 LT3105 [0,0,0,0,0,1|2,0,1]=4 142 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [0,0,0,0,0,1|2,0,0]=3 143 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 XJ0449 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 JZ0749 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 JZ1126 [0,0,0,0,0,1|2,1,0]=4 146 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 JZ4692 [0,0,0,0,0,1|2,1,0]=4 147 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 XJ1044 [0,0,0,0,0,1|1,1,0]=3 148 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [0,0,0,0,0,1|1,1,0]=3 149 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 JZ1200 [0,0,0,0,0,1|1,1,0]=3 150 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 JZ0383 [0,0,0,0,0,1|1,0,0]=2 151 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 LT3592 [0,0,0,0,0,1|1,0,0]=2 152 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 HL2902 [0,0,0,0,0,1|1,0,0]=2 153 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [0,0,0,0,0,1|1,1,0]=3 154 B10R1.13 O=C(O)C1=CC=C(I)C=C1 JZ3940 [0,0,0,0,0,1|1,1,0]=3 155 B10R1.13 O=C(O)C1=CC=C(O)C=C1 JZ0015 [0,0,0,0,0,1|2,0,0]=3 156 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.13 O=C(O)C1=CC=C(O)N=C1 RT9389 [0,0,0,0,0,1|2,0,0]=3 158 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CJ2890 [0,0,0,0,0,1|1,1,0]=3 159 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 XJ5265 [0,0,0,0,0,1|2,1,0]=4 160 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [0,0,0,0,0,1|1,0,0]=2 161 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 LX2929 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [0,0,0,0,0,1|1,1,0]=3 163 B10R1.13 O=C(O)C1=NC=C(O)N=C1 LX2658 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 HL1435 [0,0,0,0,0,1|2,0,1]=4 165 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 RT13188 [0,0,0,0,0,1|2,0,1]=4 166 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 LT6071 [0,0,0,0,0,1|2,0,1]=4 167 B10R1.13 O=[N+]([O-])C1=NC=C(Cl)C=C1 LT1935 [0,0,0,0,0,1|2,0,1]=4 168 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 LQ1888 [0,0,0,0,0,1|2,0,1]=4 169 B10R1.54 CC(=O)NC1=NN=C(Cl)S1 RT4174 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.54 NC1=NC(CC(=O)O)=CS1 LT1645 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.54 O=C(O)CC1=CSC(Br)=N1 SY0053 [0,0,0,0,0,1|2,1,0]=4 172 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 LX2618 [0,0,0,0,0,1|2,1,0]=4 173 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 RT15363 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [0,0,0,0,0,1|2,1,0]=4 175 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [0,0,0,0,0,1|2,1,0]=4 177 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 LX2619 [0,0,0,0,0,1|2,1,0]=4 178 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CJ2939 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 JZ3057 [0,0,0,0,0,1|2,0,1]=4 181 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.113 CC1=CC=CC(C(=O)O)=C1 XJ0266 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.113 CC1=CC=CC(C(=O)O)=N1 JZ4291 [0,0,0,0,0,1|2,0,0]=3 184 B10R1.113 CC1=CN=CC(C(=O)O)=C1 LT6022 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.113 CC1=NC(C(=O)O)=CC=N1 JZ4788 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 XJ3010 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 LQ4630 [0,0,0,0,0,1|2,1,0]=4 188 B10R1.113 NC(=O)C1=CC(F)=CC=C1 HL1806 [0,0,0,0,0,1|2,1,0]=4 189 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 LQ1218 [0,0,0,0,0,1|2,0,0]=3 190 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 XJ6709 [0,0,0,0,0,1|2,0,0]=3 191 B10R1.113 NC1=CC(C(=O)O)=CN=C1 YH48838 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.113 NC1=CC(C(=O)O)=NC=C1 RT5964 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.113 NC1=CC=CC(C(=O)O)=N1 JZ5606 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.113 NC1=NC=CC(C(=O)O)=C1 YH32218 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.113 NC1C=CC=C(C(=O)O)C1 RT4711 [0,0,0,0,0,1|2,0,1]=4 196 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 JZ4695 [0,0,0,0,0,1|2,1,0]=4 197 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 LQ1216 [0,0,0,0,0,1|2,0,0]=3 198 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 LT3937 [0,0,0,0,0,1|2,0,0]=3 199 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 YH50522 [0,0,0,0,0,1|3,0,0]=4 200 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 LT3027 [0,0,0,0,0,1|2,1,0]=4 201 B10R1.113 O=C(Cl)C1=CC(I)=CC=C1 JZ4696 [0,0,0,0,0,1|2,1,0]=4 202 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 JZ0792 [0,0,0,0,0,1|1,1,0]=3 203 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 LT3007 [0,0,0,0,0,1|1,0,0]=2 204 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 LT6515 [0,0,0,0,0,1|1,0,0]=2 205 B10R1.113 O=C(O)C1=CC(F)=CC=C1 JZ1086 [0,0,0,0,0,1|1,1,0]=3 206 B10R1.113 O=C(O)C1=CC(F)=CN=C1 LQ0786 [0,0,0,0,0,1|1,1,0]=3 207 B10R1.113 O=C(O)C1=CC(I)=CC=C1 LQ1220 [0,0,0,0,0,1|1,1,0]=3 208 B10R1.113 O=C(O)C1=CC(O)=CC=C1 RT13217 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.113 O=C(O)C1=CC(S)=NC=C1 YH42361 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 LT2935 [0,0,0,0,0,1|1,1,0]=3 211 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 JZ4304 [0,0,0,0,0,1|1,0,0]=2 212 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 LQ2733 [0,0,0,0,0,1|1,0,0]=2 213 B10R1.113 O=C(O)C1=CC=CC(F)=N1 LQ0787 [0,0,0,0,0,1|1,1,0]=3 214 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 LT3524 [0,0,0,0,0,1|1,1,0]=3 215 B10R1.113 O=C(O)C1=CN=CC(O)=C1 JZ0794 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=N1 RT9260 [0,0,0,0,0,1|3,0,0]=4 217 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 JZ0754 [0,0,0,0,0,1|1,1,0]=3 218 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 YH48486 [0,0,0,0,0,1|1,0,0]=2 219 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 YH35927 [0,0,0,0,0,1|1,0,0]=2 220 B10R1.113 O=C(O)C1=NC(O)=CC=C1 JZ0755 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 LX2083 [0,0,0,0,0,1|1,1,0]=3 222 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 LQ2927 [0,0,0,0,0,1|1,0,0]=2 223 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 YH57583 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY0110 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.113 O=[N+]([O-])C1=CC(Cl)=CC=C1 LL0512 [0,0,0,0,0,1|2,0,1]=4 226 B10R1.113 O=[N+]([O-])C1=CC=NC(Cl)=C1 JZ1018 [0,0,0,0,0,1|2,0,1]=4 227 B10R1.113 O=[N+]([O-])C1=CN=CC(Cl)=C1 XJ4679 [0,0,0,0,0,1|2,0,1]=4 228 B10R1.113 O=[N+]([O-])C1=NC=CC(Cl)=C1 YH12216 [0,0,0,0,0,1|2,0,1]=4 229 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 SY0269 [0,0,0,0,0,1|2,0,1]=4 230 B10R1.113 OB(O)C1=CC(Cl)=CN=C1 YH65925 [0,0,0,0,0,1|2,0,1]=4 231 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 HL4088 [0,0,0,0,0,1|2,0,1]=4 232 B10R1.113 OB(O)C1=NC(Cl)=CC=C1 YH65923 [0,0,0,0,0,1|2,0,1]=4 233 B7R0.4 C\C=C\C=C\C(=O)[O-] LQ4414 [1,0,1,0,0,0|1,0,1]=4 234 B7R1.1 CCC1=CC=CS1 XJ1420 [2,0,0,0,0,0|1,0,1]=4 235 B7R1.1 ClCC1=CC=CS1 LT1710 [2,0,0,0,0,0|1,0,1]=4 236 B7R1.1 N#CC1=CC=CS1 HL0573 [2,0,0,0,0,0|1,0,1]=4 237 B7R1.1 NCC1=CC=CS1 LT5820 [2,0,0,0,0,0|1,0,1]=4 238 B7R1.1 O=CC1=CC=CN1 HL3957 [2,0,0,0,0,0|1,0,0]=3 239 B7R1.1 O=CC1=CC=CN1 RT5965 [2,0,0,0,0,0|1,0,0]=3 240 B7R1.1 O=CC1=CC=CS1 LT6658 [2,0,0,0,0,0|0,0,0]=2 241 B7R1.1 O=CC1=CC=NN1 YH58836 [2,0,0,0,0,0|2,0,0]=4 242 B7R1.1 O=CC1=CC=NS1 YH05211 [2,0,0,0,0,0|1,0,0]=3 243 B7R1.1 O=CC1=CNC=N1 LX3143 [2,0,0,0,0,0|2,0,0]=4 244 B7R1.1 O=CC1=CSC=C1 LT0654 [2,0,0,0,0,0|2,0,0]=4 245 B7R1.1 O=CC1=NC=CN1 RT10129 [2,0,0,0,0,0|2,0,0]=4 246 B7R1.1 O=CC1=NOC=C1 YH93674 [2,0,0,0,0,0|2,0,0]=4 247 B7R1.1 OCC1=CC=CN1 RT14126 [2,0,0,0,0,0|1,0,1]=4 248 B7R1.1 OCC1=CC=CO1 XJ0217 [2,0,0,0,0,0|0,1,1]=4 249 B7R1.1 OCC1=CN=CS1 LT6037 [2,0,0,0,0,0|1,0,1]=4 250 B7R1.1 OCC1=NC=CS1 LQ3757 [2,0,0,0,0,0|1,0,1]=4 251 B7R1.2 BrC1=CC=C(Br)S1 LT0144 [2,0,0,0,0,0|1,1,0]=4 252 B7R1.2 CC1=CC=C(C)S1 LT0161 [2,0,0,0,0,0|1,0,1]=4 253 B7R1.2 CC1=CN=C(Cl)S1 YH55067 [2,0,0,0,0,0|1,0,1]=4 254 B7R1.2 ClC1=CC=C(Br)S1 LQ2313 [2,0,0,0,0,0|1,0,0]=3 255 B7R1.2 NC1=NC=C(Cl)S1 YH65536 [2,0,0,0,0,0|2,0,0]=4 256 B7R1.2 O=C1C=CC(=O)N1 LT7482 [2,0,0,0,0,0|2,0,0]=4 257 B7R1.2 O=C1C=CC(=O)O1 LQ0391 [2,0,0,0,0,0|1,1,0]=4 258 B7R1.2 O=C1C=CC(=O)O1 LT3790 [2,0,0,0,0,0|1,1,0]=4 259 B9R1.7 O=C=NC1=CC=C(Cl)S1 RT12094 [1,1,0,0,0,0|0,0,1]=3 260 B9R1.21 CSC1=CC=C(C=O)S1 YH49028 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.21 O=CC1=CC=C(C=O)O1 RT17919 [1,1,0,0,0,0|1,1,0]=4 262 B9R1.21 O=CC1=CC=C(C=O)S1 JZ4280 [1,1,0,0,0,0|1,0,0]=3 263 B9R1.21 O=CC1=CC=C(CO)O1 JZ1173 [1,1,0,0,0,0|1,1,0]=4 264 B9R1.22 CC1=CC(C)=C(C=O)N1 JZ1935 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.22 CC1=CC(C)=C(C=O)S1 LT0662 [1,1,0,0,0,0|1,0,0]=3 266 B9R1.23 N1C(C=O)=CC(Br)=C1Br YH96403 [1,1,0,0,0,0|1,1,0]=4 267 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [1,1,0,0,0,0|1,1,0]=4 269 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [1,1,0,0,0,0|0,1,0]=3 272 B9R1.11 COC(=O)C1=CNC=C1 YH51079 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.11 CSC(=O)C1=CC=CO1 JZ4812 [1,1,0,0,0,0|0,2,0]=4 276 B9R1.11 N=C(NO)C1=CC=CS1 LT0733 [1,1,0,0,0,0|1,0,0]=3 277 B9R1.11 NNC(=O)C1=CC=CO1 XJ2474 [1,1,0,0,0,0|1,1,0]=4 278 B9R1.11 NNC(=O)C1=CC=CS1 LQ2134 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.11 O=C(CCl)C1=CC=CS1 LT0548 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.19 CS(=O)(=O)C1=CC=CS1 LQ4982 [1,1,0,0,0,0|1,0,1]=4 281 B9R1.19 NS(=O)(=O)C1=CC=CS1 LQ3099 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 LQ3930 [1,1,0,0,0,0|1,0,1]=4 283 B9R1.41 CC(=O)C1=C(C)C=CS1 JZ4814 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.41 CC(=O)C1=CC=CN1C JZ0998 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.41 CC1=C(C(=O)Cl)SC=N1 YH06262 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.41 CC1=C(C(=O)O)N=CO1 YH22337 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.41 CC1=C(C(=O)O)N=CS1 YH65662 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [1,1,0,0,0,0|0,1,0]=3 291 B9R1.41 CC1=C(C(=O)O)OC=N1 RT15059 [1,1,0,0,0,0|1,1,0]=4 292 B9R1.41 CC1=C(C(=O)O)ON=C1 YH50311 [1,1,0,0,0,0|1,1,0]=4 293 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [1,1,0,0,0,0|0,0,0]=2 294 B9R1.41 CC1=C(C(=O)O)SC=N1 JZ5396 [1,1,0,0,0,0|1,0,0]=3 295 B9R1.41 CC1=CNC=C1C(=O)O RT10098 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.41 CC1=CON=C1C(=O)O YH46481 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.41 CN1C=CN=C1C(=O)O JZ5397 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.41 CN1C=NC=C1C(=O)O XJ5475 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.41 CN1N=CC=C1C(=O)O YH37728 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.41 NC1=C(C(=O)O)SC=C1 YH06872 [1,1,0,0,0,0|0,0,0]=2 301 B9R1.41 O=C(O)C1=C(F)C=CS1 YH54410 [1,1,0,0,0,0|0,0,0]=2 302 B9R1.41 O=C(O)C1=C(F)SC=C1 CJ3042 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.41 O=C(O)C1=NOC=C1O RT18938 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 YH49022 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 YH23236 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.3 C(=O)C1=CC=C(C(=O)O)C=C1 JZ3943 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 JZ4383 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 JZ3941 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 LQ3466 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.3 COC1=CC=C(C(=O)O)C=C1 JZ4549 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.3 COC1=CC=C(C(=O)O)N=C1 RT6533 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.3 COC1=NC=C(C(=O)O)C=C1 JZ0752 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 LT3084 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 JZ3942 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 LL1227 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 LQ0055 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CJ2943 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 JZ0800 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 LL2125 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 HL0470 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 RT10589 [0,1,0,0,0,1|1,1,0]=4 322 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 HL4991 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 XJ2357 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.19 O=S(=O)(O)C1=CC=C(Cl)C=C1 XJ0251 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 YH06604 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.21 CC(=O)C1=CC=C(Cl)C(Cl)=C1 JZ2110 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 LQ3334 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 YH92885 [0,1,0,0,0,1|1,1,0]=4 329 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 LQ1233 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 LT6782 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 LQ0789 [0,1,0,0,0,1|1,1,0]=4 332 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 LL1505 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 XJ2209 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 LT2618 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 LT2606 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.21 CC1=CC(C(=O)O)=CN=C1F LT3944 [0,1,0,0,0,1|1,1,0]=4 337 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl LQ2823 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 LT2911 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 LT2770 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 LQ1234 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 LQ2164 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 JZ0161 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br YH11091 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl YH49312 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.21 NC1=CC=C(C(=O)O)C=C1F RT1599 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 LQ2350 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 RT15411 [0,1,0,0,0,1|1,1,0]=4 348 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 XJ5456 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 HL1019 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 XJ5455 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 LQ0791 [0,1,0,0,0,1|1,0,0]=3 352 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 LQ5082 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 YH55532 [0,1,0,0,0,1|1,0,0]=3 354 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=C1 LQ5083 [0,1,0,0,0,1|1,0,0]=3 355 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 LT6724 [0,1,0,0,0,1|1,1,0]=4 356 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 LQ0790 [0,1,0,0,0,1|1,1,0]=4 357 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 LQ5176 [0,1,0,0,0,1|1,1,0]=4 358 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 LQ0734 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 LT6644 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 YH65444 [0,1,0,0,0,1|1,1,0]=4 361 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 JZ3934 [0,1,0,0,0,1|1,1,0]=4 362 B11R1.22 COC(=O)C1=CC=C(C)N=C1 RT12187 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 HL0691 [0,1,0,0,0,1|1,0,0]=3 364 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 JZ0748 [0,1,0,0,0,1|1,0,0]=3 365 B11R1.22 COC(=O)C1=CC=C(F)C=C1 JZ1260 [0,1,0,0,0,1|1,1,0]=4 366 B11R1.22 COC(=O)C1=CC=C(F)N=C1 XJ1741 [0,1,0,0,0,1|1,1,0]=4 367 B11R1.22 COC(=O)C1=CC=C(I)C=C1 JZ3935 [0,1,0,0,0,1|1,1,0]=4 368 B11R1.22 COC(=O)C1=CC=C(N)C=C1 JZ3936 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.22 COC(=O)C1=CC=C(N)N=C1 JZ1658 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.22 COC(=O)C1=CC=C(O)C=C1 LT7452 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.22 COC(=O)C1=CC=C(O)C=N1 SY0217 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 YH03826 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 LX3189 [0,1,0,0,0,1|1,1,0]=4 374 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 XJ4983 [0,1,0,0,0,1|1,1,0]=4 375 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 LT5905 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 LL0964 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 LT2785 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br YH88248 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1F LL2461 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 LX3005 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 LQ3335 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 LX2050 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O YH17041 [0,1,0,0,0,1|1,0,0]=3 385 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 YH13201 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 YH18052 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 HL2212 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.166 CC1=NC(F)=CC=C1C(=O)O LX2404 [0,1,0,0,0,1|1,1,0]=4 389 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl XJ2193 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1Cl LL1015 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 YH45406 [0,1,0,0,0,1|1,1,0]=4 392 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 LT0240 [0,1,0,0,0,1|1,0,0]=3 393 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 RT1598 [0,1,0,0,0,1|1,1,0]=4 394 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 XJ2208 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 XJ0046 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.166 NC1=CC=C(C(=O)O)C(F)=C1 LX3182 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 XJ1113 [0,1,0,0,0,1|1,1,0]=4 398 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 HL0593 [0,1,0,0,0,1|1,1,0]=4 399 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 RT11949 [0,1,0,0,0,1|1,1,0]=4 400 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 HL1032 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 YH07341 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 RT12288 [0,1,0,0,0,1|1,1,0]=4 403 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 XJ0764 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 YH89414 [0,1,0,0,0,1|1,1,0]=4 405 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 LT2788 [0,1,0,0,0,1|1,0,0]=3 406 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 LQ0700 [0,1,0,0,0,1|1,1,0]=4 407 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O HL0984 [0,1,0,0,0,1|1,1,0]=4 408 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl LQ4961 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl LT6491 [0,1,0,0,0,1|1,1,0]=4 410 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br YH51932 [0,1,0,0,0,1|1,1,0]=4 411 B11R1.166 O=C(O)C1=CC=C(I)C=C1F LL2023 [0,1,0,0,0,1|1,1,0]=4 412 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl RT11083 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.166 O=C(O)C1=CC=C(S)C=C1Br RT13176 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl HL4459 [0,1,0,0,0,1|1,0,0]=3 415 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl YH27314 [0,1,0,0,0,1|1,1,0]=4 416 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl YH19973 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 RT2023 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 LQ5409 [0,1,0,0,0,1|1,0,0]=3 420 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 YH24417 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.23 COC(=O)C1=CC(F)=NC=C1 HL1809 [0,1,0,0,0,1|1,1,0]=4 422 B11R1.23 COC(=O)C1=CC(N)=CN=C1 YH56942 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.23 COC(=O)C1=CC(O)=CC=C1 XJ4508 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.23 COC(=O)C1=CC=CC(C)=C1 XJ0280 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.23 COC(=O)C1=CC=CC(N)=C1 HL2757 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.23 COC(=O)C1=CC=NC(N)=C1 RT4204 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 YH50429 [0,1,0,0,0,1|1,1,0]=4 428 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 LX2859 [0,1,0,0,0,1|1,0,0]=3 429 B11R1.23 COC(=O)C1=NC(F)=CC=C1 HL1810 [0,1,0,0,0,1|1,1,0]=4 430 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12209 [0,1,0,0,0,1|1,0,0]=3 431 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12213 [0,1,0,0,0,1|1,0,0]=3 432 B11R1.23 COC(=O)C1=NC=CC(N)=C1 YH15318 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.23 N\C(=N/O)C1=CC(Cl)=CC=C1 YH47269 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.23 O=C(CCl)C1=CC=CC(Cl)=C1 LQ4318 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 LX2350 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 XJ0834 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 YH08537 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 LT5960 [0,1,0,0,0,1|1,1,0]=4 439 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 LT5229 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.74 O=C(Cl)C1=CC(Cl)=CC(Cl)=C1 LT2956 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 LT2922 [0,1,0,0,0,1|1,1,0]=4 442 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 YH01277 [0,1,0,0,0,1|1,0,0]=3 443 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 CJ2289 [0,1,0,0,0,1|1,1,0]=4 444 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 HL3778 [0,1,0,0,0,1|1,1,0]=4 445 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 YH52145 [0,1,0,0,0,1|1,0,0]=3 446 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 HL2924 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.74 O=C(O)C1=CC(F)=CC(Cl)=C1 LQ4478 [0,1,0,0,0,1|1,0,0]=3 448 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 HL1807 [0,1,0,0,0,1|1,1,0]=4 449 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 YH93372 [0,1,0,0,0,1|1,1,0]=4 450 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 JZ5291 [0,1,0,0,0,1|1,1,0]=4 451 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 CJ3026 [0,1,0,0,0,1|1,1,0]=4 452 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 LT6675 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 XJ0270 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 LX2156 [0,1,0,0,0,1|1,0,0]=3 455 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 YH13811 [0,1,0,0,0,1|1,0,0]=3 456 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 YH38536 [0,1,0,0,0,1|1,0,0]=3 457 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 LT7276 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 XJ5872 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.155 O=S(=O)(O)C1=CC(Cl)=CC=C1 YH45270 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1Cl LQ5361 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1F LL2343 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O RT6217 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br RT11196 [0,1,0,0,0,1|1,1,0]=4 464 B11R1.159 CC1=C(C(=O)O)C=CC=C1F YH14630 [0,1,0,0,0,1|1,1,0]=4 465 B11R1.159 CC1=C(C(=O)O)C=CC=C1N LT2464 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.159 CC1=C(C(=O)O)C=CC=C1O JZ3890 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 LT5949 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 JZ0027 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br SY0004 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.159 CC1=CC=CC(C(=O)O)=C1F YH53947 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br LX2293 [0,1,0,0,0,1|1,1,0]=4 472 B11R1.159 NC1=C(C(=O)O)C=CC=C1F YH88243 [0,1,0,0,0,1|1,1,0]=4 473 B11R1.159 NC1=C(O)C=CC=C1C(=O)O HL1999 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.159 NC1=CC=CC(C(=O)O)=C1F LX3096 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.159 NC1=CC=CC(C(=O)O)=C1N JZ3891 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.159 O=C(Cl)C1=C(F)C(Cl)=CC=C1 HL4768 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 YH31972 [0,1,0,0,0,1|1,1,0]=4 478 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 HL1046 [0,1,0,0,0,1|1,0,0]=3 479 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 YH65894 [0,1,0,0,0,1|1,1,0]=4 480 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 CJ3147 [0,1,0,0,0,1|1,1,0]=4 481 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 LL2342 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 YH58619 [0,1,0,0,0,1|1,1,0]=4 483 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 LQ0677 [0,1,0,0,0,1|1,1,0]=4 484 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 LT0082 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.159 O=C(O)C1=CC=CC(=O)N1O LX2189 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl YH07680 [0,1,0,0,0,1|1,1,0]=4 487 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Br YH07679 [0,1,0,0,0,1|1,0,0]=3 488 B11R1.159 O=C(O)C1=CC=CC(F)=C1Cl HL3142 [0,1,0,0,0,1|1,1,0]=4 489 B11R1.159 O=C(O)C1=CC=CC(F)=C1F YH02098 [0,1,0,0,0,1|1,1,0]=4 490 B11R1.159 O=C(O)C1=CC=CC(F)=C1I LX2296 [0,1,0,0,0,1|1,1,0]=4 491 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl YH98254 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 LT3535 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Cl HL2255 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1N YH39071 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 LX2060 [0,1,0,0,0,1|1,1,0]=4 496 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 XJ5704 [0,1,0,0,0,1|1,1,0]=4 497 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 LQ2276 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CJ2738 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 XJ3183 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 XJ0662 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 YH05261 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=C1 LQ3105 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O RT8677 [0,1,0,0,0,1|1,0,0]=3 504 B11R1.167 CC1=CC=C(N)C=C1C(=O)O LT5979 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 YH65612 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.167 N=C1C=CC(=O)C(C(=O)O)=C1 RT11743 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.167 NC(=O)C1=C(N)C=CC(Cl)=C1 LT0249 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1F LL2689 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1O LT3548 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.167 NC1=C(C(=O)O)C=C(Cl)N=C1 LX3311 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 LT0252 [0,1,0,0,0,1|1,1,0]=4 512 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 HL1758 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O LT0246 [0,1,0,0,0,1|1,1,0]=4 514 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O YH90773 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 RT11771 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O JZ1003 [0,1,0,0,0,1|1,1,0]=4 517 B11R1.167 NC1=NC=C(Br)N=C1C(=O)O LL2859 [0,1,0,0,0,1|1,1,0]=4 518 B11R1.167 NC1=NC=C(Cl)C=C1C(=O)O YH05416 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(Cl)=C1 LQ2351 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.167 O=C(Cl)C1=C(F)C=CC(Cl)=C1 HL1756 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.167 O=C(Cl)C1=CC(Cl)=CN=C1Cl LT3869 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 YH09854 [0,1,0,0,0,1|1,1,0]=4 523 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 LQ4295 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 HL1755 [0,1,0,0,0,1|1,1,0]=4 525 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 JZ5666 [0,1,0,0,0,1|1,1,0]=4 526 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 LQ4294 [0,1,0,0,0,1|1,1,0]=4 527 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 HL1034 [0,1,0,0,0,1|1,0,0]=3 528 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 LQ1933 [0,1,0,0,0,1|1,0,0]=3 529 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 LX2708 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 YH35267 [0,1,0,0,0,1|1,1,0]=4 531 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 LQ5175 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 LQ4296 [0,1,0,0,0,1|1,1,0]=4 533 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 XJ3893 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 LQ0504 [0,1,0,0,0,1|1,1,0]=4 535 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 LT0154 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O YH22672 [0,1,0,0,0,1|1,1,0]=4 537 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl YH09173 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl LQ4919 [0,1,0,0,0,1|1,1,0]=4 539 B11R1.167 O=C(O)C1=CC(F)=CN=C1F YH89730 [0,1,0,0,0,1|1,1,0]=4 540 B11R1.167 O=C(O)C1=CC(F)=CN=C1O YH92224 [0,1,0,0,0,1|1,1,0]=4 541 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl YH43007 [0,1,0,0,0,1|1,1,0]=4 542 B11R1.167 O=C(O)C1=CC(I)=CC=C1I YH34226 [0,1,0,0,0,1|1,1,0]=4 543 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl LT4622 [0,1,0,0,0,1|1,0,0]=3 544 B11R1.266 C(=O)C1=CC(C(=O)O)=CC=C1 LQ1237 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 YH00769 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 RT7849 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.266 COC1=CC(C(=O)O)=CC=C1 LT2613 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.266 COC1=CC(C(=O)O)=NC=C1 YH52275 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.266 COC1=NC=CC(C(=O)O)=C1 XJ6812 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 JZ4197 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 LQ1949 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.266 N#CC1=CN=CC(C(=O)O)=C1 YH93163 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 JZ1981 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 LT2487 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 XJ3151 [0,1,0,0,0,1|1,1,0]=4 556 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 LT2902 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 YH51784 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.266 O=C(O)C1=CC=CC(CO)=N1 JZ4492 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 XJ5467 [0,2,0,0,0,0|1,1,0]=4 560 B11R1.15 CCOC(=O)C1=CN=C(N)S1 YH54736 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.44 CCC1=CC=C(C(=O)NN)S1 LT0710 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.44 COC(=O)C1=CC=C(CCl)O1 YH46297 [0,2,0,0,0,0|0,1,0]=3 563 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 LT0618 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.226 COC(=O)C1=CC(C)=C(Br)S1 YH06593 [0,2,0,0,0,0|0,1,0]=3 565 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 YH59031 [0,2,0,0,0,0|0,1,0]=3 566 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 YH65627 [0,2,0,0,0,0|1,0,0]=3 567 B11R1.226 NNC(=O)C1=CC(Br)=C(Br)S1 LT0530 [0,2,0,0,0,0|1,1,0]=4 568 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 LT0675 [0,2,0,0,0,0|1,0,0]=3 569 B11R1.175 O=C(Cl)C1=CC=C([N+](=O)[O-])S1 RT14521 [0,2,0,0,0,0|1,0,1]=4 570 B11R1.175 O=C(O)C1=CC=C(B(O)O)O1 CJ2604 [0,2,0,0,0,0|1,1,0]=4 571 B11R1.175 O=C(O)C1=CC=C([N+](=O)[O-])O1 XJ1203 [0,2,0,0,0,0|1,1,0]=4 572 B11R1.175 O=C(O)C1=CC=C([N+](=O)[O-])S1 LQ3057 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.175 O=C([O-])C1=CC=C(C(=O)[O-])S1 LT0739 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.79 NS(=O)(=O)C1=CC(Cl)=C(Cl)S1 HL3965 [0,2,0,0,0,0|1,0,1]=4 575 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [0,0,1,1,0,0|2,0,0]=4 576 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [0,0,1,1,0,0|2,0,0]=4 577 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [0,0,1,1,0,0|2,0,0]=4 578 B9R1.69 CC1=C(O)C=C(Cl)C=C1 YH05518 [0,0,1,1,0,0|2,0,0]=4 579 B9R1.69 NC1=CC(Cl)=CC=C1S HL0207 [0,0,1,1,0,0|2,0,0]=4 580 B9R1.69 OC1=CC(Cl)=CC=C1Cl XJ1014 [0,0,1,1,0,0|2,0,0]=4 581 B9R1.69 OC1=CC=C(Cl)C=C1O YH46193 [0,0,1,1,0,0|1,1,0]=4 582 B9R1.69 SC1=C(Cl)C=C(Cl)C=C1 HL0645 [0,0,1,1,0,0|2,0,0]=4 583 B9R0.55 O=C(O)\C=C\C=C\C(=O)O JZ2367 [0,0,1,0,0,1|1,1,0]=4 584 B9R1.2 C=CC1=CC(Cl)=CC=C1 XJ2036 [1,0,0,0,0,1|2,0,0]=4 585 B9R1.2 CC1=CC(C=O)=CC=C1 JZ3952 [1,0,0,0,0,1|2,0,0]=4 586 B9R1.2 CC1=CC=CC(C=O)=N1 HL0653 [1,0,0,0,0,1|2,0,0]=4 587 B9R1.2 CC1=NC(C=O)=CC=N1 HL0584 [1,0,0,0,0,1|2,0,0]=4 588 B9R1.2 O=CC1=CC(Br)=CN=C1 LT3730 [1,0,0,0,0,1|1,1,0]=4 589 B9R1.2 O=CC1=CC(Br)=NC=C1 LL1981 [1,0,0,0,0,1|1,1,0]=4 590 B9R1.2 O=CC1=CC(Cl)=CC=C1 XJ1050 [1,0,0,0,0,1|1,0,0]=3 591 B9R1.2 O=CC1=CC(F)=CC=C1 LT6791 [1,0,0,0,0,1|1,1,0]=4 592 B9R1.2 O=CC1=CC(F)=CN=C1 YH65531 [1,0,0,0,0,1|1,1,0]=4 593 B9R1.2 O=CC1=CC(O)=NC=C1 YH65488 [1,0,0,0,0,1|2,0,0]=4 594 B9R1.2 O=CC1=CC=CC(Br)=C1 LQ2404 [1,0,0,0,0,1|1,1,0]=4 595 B9R1.2 O=CC1=CC=CC(Cl)=N1 YH06167 [1,0,0,0,0,1|1,0,0]=3 596 B9R1.2 O=CC1=CC=CC(O)=C1 JZ0346 [1,0,0,0,0,1|2,0,0]=4 597 B9R1.2 O=CC1=CC=NC(Cl)=C1 LX3013 [1,0,0,0,0,1|1,0,0]=3 598 B9R1.2 O=CC1=CC=NC(F)=C1 HL3440 [1,0,0,0,0,1|1,1,0]=4 599 B9R1.2 OCC1=CC(Cl)=CC=C1 XJ1427 [1,0,0,0,0,1|1,0,1]=4 600 B9R1.2 OCC1=CC(Cl)=NC=C1 YH20577 [1,0,0,0,0,1|1,0,1]=4 601 B9R1.2 OCC1=NC(Cl)=CC=C1 YH55308 [1,0,0,0,0,1|1,0,1]=4 602 B9R1.13 CC(=O)CC1=CC=CN1 RT14091 [1,0,0,0,0,1|2,0,0]=4 603 B9R1.13 NC(=O)CC1=CC=CS1 XJ2712 [1,0,0,0,0,1|1,0,0]=3 604 B9R1.13 O=C(Cl)CC1=CC=CS1 LT0592 [1,0,0,0,0,1|1,0,0]=3 605 B9R1.13 O=C(Cl)CC1=CC=CS1 LT5114 [1,0,0,0,0,1|1,0,0]=3 606 B9R1.13 O=C(O)CC1=CC=CS1 LT6659 [1,0,0,0,0,1|0,0,0]=2 607 B9R1.13 O=C(O)CC1=CNC=C1 YH90782 [1,0,0,0,0,1|2,0,0]=4 608 B9R1.13 O=C(O)CC1=CNC=N1 LX2171 [1,0,0,0,0,1|2,0,0]=4 609 B9R1.13 O=C(O)CC1=CSC=C1 LT3139 [1,0,0,0,0,1|2,0,0]=4 610 B9R1.13 O=C(O)CC1=CSC=C1 XJ3177 [1,0,0,0,0,1|2,0,0]=4 611 B9R1.13 O=C(O)CC1=NC=CN1 YH42847 [1,0,0,0,0,1|2,0,0]=4 612 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 JZ2786 [0,0,0,0,0,2|2,0,0]=4 613 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 XJ0550 [0,0,0,0,0,2|2,0,0]=4 614 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 LT3063 [0,0,0,0,0,2|2,0,0]=4 615 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 LQ1955 [0,0,0,0,0,2|1,1,0]=4 616 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 LT3076 [0,0,0,0,0,2|1,1,0]=4 617 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 RT12785 [0,0,0,0,0,2|2,0,0]=4 618 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 YH59203 [0,0,0,0,0,2|1,0,0]=3 619 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 HL0043 [0,0,0,0,0,2|2,0,0]=4 620 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 JZ3970 [0,0,0,0,0,2|2,0,0]=4 621 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 RT1647 [0,0,0,0,0,2|2,0,0]=4 622 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 YH66558 [0,0,0,0,0,2|2,0,0]=4 623 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 XJ4094 [0,0,0,0,0,2|2,0,0]=4 624 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 HL4831 [0,0,0,0,0,2|2,0,0]=4 625 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 YH59202 [0,0,0,0,0,2|1,1,0]=4 626 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 LT3102 [0,0,0,0,0,2|1,1,0]=4 627 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 LQ1956 [0,0,0,0,0,2|1,1,0]=4 628 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 LQ1954 [0,0,0,0,0,2|1,1,0]=4 629 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 LT6766 [0,0,0,0,0,2|1,0,0]=3 630 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 LT3028 [0,0,0,0,0,2|2,0,0]=4 631 B11R1.157 O=C(O)CC1=CC=CC(S)=C1 RT19096 [0,0,0,0,0,2|2,0,0]=4