0 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 HL2147 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 YH14959 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 RT11202 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 LT4307 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 JZ3934 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.22 COC(=O)C1=CC=C(C)N=C1 RT12187 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 HL0691 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 JZ0748 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.22 COC(=O)C1=CC=C(F)C=C1 JZ1260 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.22 COC(=O)C1=CC=C(F)N=C1 XJ1741 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.22 COC(=O)C1=CC=C(I)C=C1 JZ3935 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.22 COC(=O)C1=CC=C(N)C=C1 JZ3936 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.22 COC(=O)C1=CC=C(N)N=C1 JZ1658 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.22 COC(=O)C1=CC=C(O)C=C1 LT7452 [0,0,0,0,0,0|0,0,0]=0 15 B11R1.22 COC(=O)C1=CC=C(O)C=N1 SY0217 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 YH03826 [0,0,0,0,0,0|0,0,1]=1 17 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 LX3189 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 XJ4983 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 YH93944 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 LT5905 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.22 COC(=O)C1=NC=C(O)N=C1 LT5907 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.22 C\C(=N/O)C1=CC=C(O)C=C1 RT10568 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 RT1562 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 LQ2917 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 RT2897 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 YH17779 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 HL1815 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 LX2710 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 YH43755 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 LQ2961 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 LL0964 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 HL1818 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 XJ2875 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 LT2239 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 HL1296 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 LT2785 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 RT10679 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 HL1817 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 YH11049 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 YH04927 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.1 Br\C=C\C1=CC=C(Br)C=C1 RT6387 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,0,0,0,0,0|0,0,1]=2 50 B10R1.1 ClC1=CC=C(\C=C\Br)C=C1 RT6043 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.1 O\N=C\C1=CC=C(F)C=C1 YH02278 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 YH07034 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [1,0,0,0,0,0|0,0,0]=1 63 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HL3496 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.13 CC(C)C1=CC=C(Br)C=C1 XJ1042 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(N)C1=CC=C(Br)C=C1 YH48936 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 CC(O)C1=CC=C(F)C=C1 LQ0797 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY0255 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC1=CC=C(C(=O)O)C=C1 JZ0130 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 CC1=CC=C(C(C)C)C=C1 XJ5623 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 CC1=CC=C(C(C)N)C=C1 JZ0723 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 CC1=CC=C(N(C)C)C=C1 YH99046 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.13 CC1=CC=C(S(=O)O)C=C1 LL0969 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 CC1=CC=C(S(N)=O)C=C1 YH66632 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.13 CC1=NC=C(C(=O)O)C=N1 YH04926 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.13 CC1=NC=C(C(=O)O)N=C1 LT1326 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.13 CN(C)C1=CC=C(Br)C=C1 LT2750 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.13 CN(C)C1=CC=C(N)C=C1 HL1305 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.13 CN(C)C1=CC=C(N)C=C1 LL0967 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.13 CN(C)C1=CC=C(N)C=C1 LQ4413 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 CN(C)C1=CC=C(N)C=C1 XJ3077 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 LQ5152 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 YH17516 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 XJ4897 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 HL3245 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HL2287 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 N=C(N)C1=CC=C(N)C=C1 JZ3229 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 N=C(N)C1=CC=C(O)C=C1 LT2008 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 N=C(N)C1=CC=C(O)C=C1 YH36971 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.13 NC(=O)C1=NC=C(N)C=C1 YH35056 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 YH49579 [1,0,0,0,0,0|2,1,0]=4 101 B10R1.13 NC1=CC=C(B(O)O)C=C1 SY0280 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.13 NC1=CC=C(C(=O)O)C=C1 RT3381 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.13 NC1=CC=C(C(=O)O)C=N1 LT3585 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 LT3105 [1,0,0,0,0,0|1,0,1]=3 105 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 JZ0055 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 XJ0449 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 JZ0749 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 JZ1126 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 JZ4692 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 XJ1044 [1,0,0,0,0,0|1,0,0]=2 112 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 JZ1200 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 JZ0383 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 LT3592 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 HL2902 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.13 O=C(O)C1=CC=C(I)C=C1 JZ3940 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.13 O=C(O)C1=CC=C(O)C=C1 JZ0015 [1,0,0,0,0,0|0,0,0]=1 120 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.13 O=C(O)C1=CC=C(O)N=C1 RT9389 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CJ2890 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 XJ5265 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 LX2929 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 O=C(O)C1=NC=C(O)N=C1 LX2658 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 HL1435 [1,0,0,0,0,0|0,0,1]=2 129 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 JZ4192 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 RT13188 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 LT0072 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 RT11294 [1,0,0,0,0,0|1,0,1]=3 133 B10R1.13 O=[N+]([O-])C1=CC=C(O)N=C1 LT1954 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 LT3458 [1,0,0,0,0,0|1,1,1]=4 135 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 RT12985 [1,0,0,0,0,0|1,1,1]=4 136 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CJ2455 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 LQ1888 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.13 OB(O)C1=CC=C(F)C=C1 XJ1901 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.13 OB(O)C1=CC=C(O)C=C1 XJ6238 [1,0,0,0,0,0|1,0,1]=3 140 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,0,0,0,0,0|0,0,0]=1 141 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.15 COC(=N)C1=NC=CC=C1 RT4090 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.15 COC(=O)C1=CC=CN=C1 JZ0756 [1,0,0,0,0,0|1,0,0]=2 148 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [1,0,0,0,0,0|1,0,0]=2 149 B10R1.15 COC(=O)C1=CN=CN=C1 YH55622 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.15 COC(=O)C1=NC=CC=N1 YH55623 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [1,0,0,0,0,0|2,0,0]=3 161 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 LL0515 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 HL0707 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 JZ4668 [0,1,0,0,0,0|0,0,1]=2 164 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 LQ1892 [0,1,0,0,0,0|0,0,1]=2 165 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 LT5149 [0,1,0,0,0,0|1,0,0]=2 166 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 LT5150 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.5 COC(=O)C1=CC=C(CO)C=C1 JZ3023 [0,1,0,0,0,0|0,0,0]=1 168 B12R1.5 COC(=O)C1=CC=C(OC)N=C1 JZ0753 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 YH21073 [0,1,0,0,0,0|1,0,1]=3 170 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 LQ5359 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 LT3323 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 LQ5042 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 XJ2446 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.5 N#CC(=O)C1=CC=C(C#N)C=C1 YH65885 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 LQ4188 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 XJ0119 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.9 CCS(=O)(=O)C1=CC=C(Cl)C=C1 LT3073 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 LQ4642 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.9 NC1=CC=C(S(=O)(=O)O[Na])C=C1 HL1939 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 RT11080 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 XJ0996 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 RT17651 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.16 CCOC(=N)C1=CC=C(Cl)C=C1 RT12541 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 HL3014 [0,1,0,0,0,0|1,0,0]=2 185 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 LQ3269 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 LT5203 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CJ2917 [0,1,0,0,0,0|1,0,0]=2 188 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 SY0289 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 YH48180 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 YH65801 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 LX2162 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 LX3039 [0,1,0,0,0,0|1,0,0]=2 193 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 JZ3824 [0,1,0,0,0,0|1,0,2]=4 194 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 LT4056 [0,1,0,0,0,0|1,0,2]=4 195 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 RT4716 [0,1,0,0,0,0|1,0,2]=4 196 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 LQ2708 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 JZ0578 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 LT4187 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 LQ0709 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.16 O=C(CCCl)C1=CC=C(O)C=C1 RT10798 [0,1,0,0,0,0|1,0,0]=2 201 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 LQ3474 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 YH65724 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.20 CC1=CC=C(C(=O)C(C)Cl)C=C1 YH47530 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 LQ3089 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 YH66539 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)N=C1 LL1424 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.367 COC(=O)C1=CC(Br)=C(N)N=C1 JZ1657 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 LL2255 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 LL1641 [0,1,0,0,0,0|1,0,0]=2 210 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 XJ6490 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 HL4891 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.367 COC(=O)C1=CC(I)=C(Cl)C=C1 YH57244 [0,1,0,0,0,0|1,0,0]=2 213 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 XJ4161 [0,1,0,0,0,0|0,0,0]=1 214 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 RT3244 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 YH56650 [0,1,0,0,0,0|1,0,0]=2 216 B12R1.367 COC(=O)C1=CC(O)=C(F)C=C1 LL2617 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 YH11298 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.367 COC(=O)C1=CC=C(Br)C(O)=C1 RT10880 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=C1 XJ6779 [0,1,0,0,0,0|1,0,0]=2 220 B12R1.367 COC(=O)C1=CC=C(C)C(N)=C1 YH65012 [0,1,0,0,0,0|1,0,0]=2 221 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 LT3014 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.367 COC(=O)C1=CC=C(I)C(Br)=C1 YH65503 [0,1,0,0,0,0|1,0,0]=2 223 B12R1.367 COC(=O)C1=CC=C(N)C(C)=C1 LT3146 [0,1,0,0,0,0|1,0,0]=2 224 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 YH00863 [0,1,0,0,0,0|0,0,0]=1 225 B12R1.367 COC(=O)C1=CC=C(O)C(N)=C1 RT2941 [0,1,0,0,0,0|0,0,0]=1 226 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 LT5876 [0,1,0,0,0,0|1,0,1]=3 227 B12R1.367 NNC(=O)C1=CC=C(O)C(N)=C1 XJ3311 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 LT1996 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 XJ0281 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.1703 CCC(=O)C1=C(O)C=C(O)C=C1 HL3011 [0,1,0,0,0,0|1,0,0]=2 231 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 YH91859 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 XJ2408 [0,1,0,0,0,0|1,0,0]=2 233 B12R1.1703 COC(=O)C1=C(C)N=C(C)C=C1 RT9229 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)N=C1 YH12488 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 CJ2192 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 LQ2726 [0,1,0,0,0,0|1,0,0]=2 237 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 HL1734 [0,1,0,0,0,0|1,0,0]=2 238 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 LQ2098 [0,1,0,0,0,0|0,0,0]=1 239 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br RT11090 [0,1,0,0,0,0|1,0,0]=2 240 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1I CJ3332 [0,1,0,0,0,0|1,0,0]=2 241 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1N YH32748 [0,1,0,0,0,0|1,0,0]=2 242 B12R1.1703 COC(=O)C1=CC=C(N)C=C1C YH14295 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.1703 COC(=O)C1=CC=C(N)C=C1Cl YH02304 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O LT5969 [0,1,0,0,0,0|1,0,0]=2 245 B12R1.1703 COC(=O)C1=CN=C(Cl)N=C1Cl YH54044 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.1703 COC(=O)C1=NN=C(Cl)C=C1Cl YH65792 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.1703 N#CC(=O)C1=CC=C(Cl)C=C1Cl RT6233 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.1703 NC1=CC(Cl)=CC=C1C(=O)CCl RT1619 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.1703 NC1=CC(O)=C(C(=O)O[Na])C=C1 CJ2106 [0,1,0,0,0,0|2,0,0]=3 250 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 YH53846 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.1703 NNC(=O)C1=C(O)C=C(O)C=C1 JZ3686 [0,1,0,0,0,0|2,0,0]=3 252 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl HL3029 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 YH49339 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.1703 O=C(CBr)C1=CC=C(Cl)C=C1Cl JZ2098 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.1703 O=C(CBr)C1=CC=C(F)C=C1F HL3116 [0,1,0,0,0,0|3,0,0]=4 256 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,0,0,1,0,0|2,0,0]=3 257 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 LQ2490 [0,0,0,1,0,0|2,0,0]=3 258 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 LQ2487 [0,0,0,1,0,0|1,0,0]=2 259 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 XJ5153 [0,0,0,1,0,0|2,0,0]=3 260 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 YH01019 [0,0,0,1,0,0|2,0,0]=3 261 B12R2.612 O=C1CCC2=CC(F)=CC=C12 JZ4104 [0,0,0,1,0,0|2,0,0]=3 262 B12R2.612 O=C1COC2=CC(Br)=CC=C12 YH44457 [0,0,0,1,0,0|3,0,0]=4 263 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 XJ2407 [0,0,0,1,0,0|3,0,0]=4 264 B12R2.612 O=C1NCC2=NC(Cl)=CC=C12 YH66320 [0,0,0,1,0,0|3,0,0]=4 265 B12R2.612 O=C1NSC2=CC(F)=CC=C12 HL3634 [0,0,0,1,0,0|3,0,0]=4 266 B10R1.14 COC(=O)C1=CC(=O)NN1 YH66536 [0,0,0,0,1,0|2,0,1]=4 267 B10R1.14 COC(=O)C1=CC(O)=NO1 JZ3359 [0,0,0,0,1,0|2,0,0]=3 268 B10R1.14 COC(=O)C1=CC=C(N)S1 YH35219 [0,0,0,0,1,0|2,0,0]=3 269 B10R1.14 COC(=O)C1=CN(C)C=N1 YH39848 [0,0,0,0,1,0|3,0,0]=4 270 B10R1.14 COC(=O)C1=CN=C(N)S1 LX2982 [0,0,0,0,1,0|3,0,0]=4 271 B10R1.14 COC(=O)C1=CSC(Br)=N1 YH39369 [0,0,0,0,1,0|3,0,0]=4 272 B10R1.14 COC(=O)C1=CSC(Cl)=N1 YH00700 [0,0,0,0,1,0|3,0,0]=4 273 B10R1.14 COC(=O)C1=CSC(N)=N1 RT15694 [0,0,0,0,1,0|3,0,0]=4 274 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 RT15818 [0,0,0,0,0,1|1,0,0]=2 275 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 XJ5486 [0,0,0,0,0,1|1,0,0]=2 276 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 YH05226 [0,0,0,0,0,1|1,0,0]=2 277 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 JZ4903 [0,0,0,0,0,1|0,0,0]=1 278 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 YH55824 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.1 C#CC1=CC=C(O)C=C1 YH65749 [2,0,0,0,0,0|0,0,2]=4 280 B9R1.1 C(=O)C1=CC=C(Br)C=C1 HL0659 [2,0,0,0,0,0|1,0,0]=3 281 B9R1.1 C(=O)C1=CC=C(Cl)C=C1 XJ0297 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.1 C(=O)C1=CC=C(Cl)N=C1 JZ0751 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.1 C(=O)C1=CC=C(F)C=C1 RT10834 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.1 C(=O)C1=CC=C(N)N=C1 RT2853 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.1 C=CC1=CC=C(Br)C=C1 XJ2035 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.1 C=CC1=CC=C(C)C=C1 XJ1131 [2,0,0,0,0,0|1,0,1]=4 287 B9R1.1 C=CC1=CC=C(Cl)C=C1 JZ4358 [2,0,0,0,0,0|1,0,1]=4 288 B9R1.1 C=CC1=CC=C(F)C=C1 LQ0811 [2,0,0,0,0,0|1,0,1]=4 289 B9R1.1 C=CC1=CC=C(N)C=C1 LQ1825 [2,0,0,0,0,0|1,0,1]=4 290 B9R1.1 CC1=CC=C(C=O)C=C1 XJ0296 [2,0,0,0,0,0|1,0,0]=3 291 B9R1.1 CC1=CC=C(C=O)C=N1 YH05496 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.1 CC1=CC=C(CO)C=C1 HL0057 [2,0,0,0,0,0|1,0,1]=4 293 B9R1.1 CC1=CN=C(C=O)C=C1 HL2821 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.1 CCC1=CC=C(Br)C=C1 LT0068 [2,0,0,0,0,0|1,0,1]=4 295 B9R1.1 CCC1=CC=C(Cl)C=C1 XJ1132 [2,0,0,0,0,0|1,0,1]=4 296 B9R1.1 CCC1=CC=C(I)C=C1 JZ5676 [2,0,0,0,0,0|1,0,1]=4 297 B9R1.1 CCC1=CC=C(O)C=C1 LQ4557 [2,0,0,0,0,0|0,0,1]=3 298 B9R1.1 CNC1=CC=C(N)C=C1 LT5160 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.1 CNC1=CC=C(O)C=C1 LT7433 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.1 COC1=CC=C(Br)C=C1 YH22845 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.1 COC1=CC=C(Br)C=N1 LT3369 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.1 COC1=CC=C(C)N=C1 LX2638 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.1 COC1=CC=C(F)C=C1 RT11598 [2,0,0,0,0,0|1,0,0]=3 304 B9R1.1 COC1=CC=C(F)C=N1 YH04458 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.1 COC1=CC=C(N)C=C1 YH22851 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.1 COC1=CC=C(N)C=N1 LT3597 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.1 COC1=CC=C(N)N=C1 XJ3542 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.1 COC1=CC=C(O)C=C1 LQ0608 [2,0,0,0,0,0|0,0,0]=2 309 B9R1.1 COC1=CC=[N+]([O-])C=C1 RT6739 [2,0,0,0,0,0|1,0,1]=4 310 B9R1.1 COC1=CN=C(Cl)C=C1 HL3515 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.1 COC1=NC=C(I)C=C1 YH32542 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.1 COC1=NC=C(O)C=C1 YH04854 [2,0,0,0,0,0|1,0,0]=3 313 B9R1.1 CSC1=CC=C(C)C=C1 XJ1135 [2,0,0,0,0,0|1,1,0]=4 314 B9R1.1 CSC1=CC=C(F)C=C1 XJ0702 [2,0,0,0,0,0|1,1,0]=4 315 B9R1.1 N#CC1=CC=C(O)C=C1 LT2823 [2,0,0,0,0,0|1,0,1]=4 316 B9R1.1 NC1=CC=C(C=O)C=C1 LQ1002 [2,0,0,0,0,0|1,0,0]=3 317 B9R1.1 NCC1=CC=C(O)C=C1 LQ1367 [2,0,0,0,0,0|1,0,1]=4 318 B9R1.1 O=CC1=CC=C(Br)N=C1 LT3321 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.1 O=CC1=CC=C(F)N=C1 YH13440 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 O=CC1=CC=C(I)C=C1 XJ4171 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.1 O=CC1=CC=C(O)C=C1 RT12842 [2,0,0,0,0,0|0,0,0]=2 322 B9R1.1 O=CC1=CC=C(O)N=C1 LT3365 [2,0,0,0,0,0|1,0,0]=3 323 B9R1.1 O=CC1=CC=C(S)C=C1 RT11108 [2,0,0,0,0,0|0,1,0]=3 324 B9R1.1 O=CC1=NC=C(Br)C=C1 LQ4682 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.1 O=NC1=CC=C(O)C=C1 RT11953 [2,0,0,0,0,0|1,0,0]=3 326 B9R1.1 OC1=CC=C(CBr)C=C1 CJ3032 [2,0,0,0,0,0|1,0,1]=4 327 B9R1.1 OCC1=CC=C(Br)C=C1 XJ1430 [2,0,0,0,0,0|1,0,1]=4 328 B9R1.1 OCC1=CC=C(Cl)C=C1 JZ0815 [2,0,0,0,0,0|1,0,1]=4 329 B9R1.1 OCC1=CC=C(I)C=C1 XJ4412 [2,0,0,0,0,0|1,0,1]=4 330 B9R1.1 OCC1=CC=C(O)C=C1 JZ0347 [2,0,0,0,0,0|0,0,1]=3 331 B9R1.1 OCC1=CN=C(O)C=C1 YH24285 [2,0,0,0,0,0|1,0,1]=4 332 B9R1.1 ONC1=CC=C(Cl)C=C1 YH88188 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.8 CNCC1=CC=CC=C1 RT3204 [2,0,0,0,0,0|1,0,1]=4 335 B9R1.8 COCC1=CC=CN=C1 LQ5401 [2,0,0,0,0,0|1,0,1]=4 336 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [2,0,0,0,0,0|1,1,0]=4 337 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [2,0,0,0,0,0|1,0,0]=3 338 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.8 NOCC1=CC=CC=C1 LT5864 [2,0,0,0,0,0|1,0,1]=4 340 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [2,0,0,0,0,0|1,0,0]=3 343 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [2,0,0,0,0,0|0,0,0]=2 344 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [2,0,0,0,0,0|1,0,0]=3 345 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [2,0,0,0,0,0|1,0,0]=3 346 B9R1.6 CC(=O)C1=CN=CN=C1 RT1973 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.6 CC(=O)C1=NC=CC=N1 YH05694 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [2,0,0,0,0,0|1,0,1]=4 349 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [2,0,0,0,0,0|1,0,1]=4 350 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [2,0,0,0,0,0|1,0,1]=4 353 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [2,0,0,0,0,0|1,0,1]=4 354 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [2,0,0,0,0,0|0,1,0]=3 355 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [2,0,0,0,0,0|1,0,0]=3 357 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.6 NC(=O)C1=CC=CN=C1 XJ0261 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [2,0,0,0,0,0|1,1,0]=4 361 B9R1.6 O=C(Cl)C1=CC=CN=C1 JZ0788 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.6 O=C(Cl)C1=CC=CN=C1 LT7313 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.6 O=C(Cl)C1=NC=CC=C1 LT5112 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [2,0,0,0,0,0|1,0,0]=3 365 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [2,0,0,0,0,0|1,0,0]=3 367 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [2,0,0,0,0,0|1,0,0]=3 368 B9R1.6 O=C(O)C1=CN=CN=C1 JZ0399 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.6 O=C(O)C1=CN=NC=C1 XJ5546 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.6 O=C(O)C1=NC=CC=N1 YH53937 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.6 O=C(O)C1=NC=NC=C1 LQ4720 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [2,0,0,0,0,0|0,0,1]=3 374 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [2,0,0,0,0,0|0,0,1]=3 375 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [2,0,0,0,0,0|0,0,1]=3 376 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [2,0,0,0,0,0|0,0,1]=3 377 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [2,0,0,0,0,0|0,0,1]=3 378 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [2,0,0,0,0,0|0,0,1]=3 379 B9R1.6 O=C([O-])C1=CN=CC=C1 LL1069 [2,0,0,0,0,0|1,0,1]=4 380 B9R1.6 O=C([O-])C1=CN=CC=C1 LQ0027 [2,0,0,0,0,0|1,0,1]=4 381 B9R1.6 O=C([O-])C1=NC=CC=C1 JZ5244 [2,0,0,0,0,0|1,0,1]=4 382 B9R1.6 O=C([O-])C1=NC=CC=C1 LQ3798 [2,0,0,0,0,0|1,0,1]=4 383 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [2,0,0,0,0,0|1,0,0]=3 384 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [2,0,0,0,0,0|1,0,1]=4 385 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [2,0,0,0,0,0|1,0,1]=4 386 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [2,0,0,0,0,0|1,0,1]=4 387 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [2,0,0,0,0,0|1,0,1]=4 388 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [2,0,0,0,0,0|0,0,0]=2 389 B11R0.120 COC(=O)\C=C\C(=O)C(=O)OC RT5649 [0,1,1,0,0,0|2,0,0]=4 390 B11R1.1 OC1=CC=C(CCCBr)C=C1 CJ2919 [1,1,0,0,0,0|1,0,1]=4 391 B11R1.1 OC1=CC=C(CCCCl)C=C1 CJ3017 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 CJ3236 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 YH18094 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 RT12770 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 YH54366 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.81 CCCC1=C(O)C=C(O)C=C1 LQ4152 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.83 CCOC1=CC=C(CO)C=C1 XJ3074 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.83 CCOC1=CC=C(OC)C=C1 RT12893 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.83 CNCC1=CC=C(OC)C=C1 YH91719 [1,1,0,0,0,0|1,0,1]=4 400 B11R1.83 COC1=CC=C(CON)C=C1 LL1707 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.83 COC1=CC=C(CON)C=C1 LT1378 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.83 COC1=CC=C(\C=C\Br)C=C1 RT6348 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 HL2697 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.192 O\N=C\C1=CC=C(O)C(O)=C1 HL2493 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 YH23236 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.3 C(=O)C1=CC=C(C(=O)O)C=C1 JZ3943 [1,1,0,0,0,0|0,0,1]=3 407 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 JZ4383 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.3 CC(C)C1=CC=C(CO)C=C1 LL0970 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 LT3069 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 JZ3941 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 LQ3466 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.3 COC1=CC=C(B(O)O)C=C1 JZ0684 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.3 COC1=CC=C(B(O)O)C=C1 LQ5149 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.3 COC1=CC=C(C(=N)N)C=C1 RT1606 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 JZ0666 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.3 COC1=CC=C(C(=O)O)C=C1 JZ4549 [1,1,0,0,0,0|0,0,0]=2 417 B11R1.3 COC1=CC=C(C(=O)O)N=C1 RT6533 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.3 COC1=CC=C(C(C)=O)C=C1 JZ1135 [1,1,0,0,0,0|0,0,0]=2 419 B11R1.3 COC1=CC=C(C(N)=O)C=C1 HL2560 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.3 COC1=CC=C(N(C)C)C=C1 YH14709 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 JZ5490 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.3 COC1=NC=C(C(=O)O)C=C1 JZ0752 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.3 COC1=NC=C(C(=O)O)N=C1 YH59418 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 LT3084 [1,1,0,0,0,0|0,1,0]=3 425 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 XJ1918 [1,1,0,0,0,0|0,1,0]=3 426 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 JZ2849 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 JZ3942 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 LL1227 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 LQ0055 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CJ2943 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 JZ0800 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 YH66572 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 LL2125 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 HL0470 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 RT10589 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 HL4991 [1,1,0,0,0,0|0,0,0]=2 437 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 XJ2357 [1,1,0,0,0,0|0,0,0]=2 438 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 LT6151 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.3 OCC1=CC=C(B(O)O)C=C1 LQ5464 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 HL2904 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 LL0357 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 RT4375 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 RT8618 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 XJ3061 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 YH22643 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 JZ2240 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 XJ0246 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 HL1799 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 LQ2928 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 JZ4918 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.19 NC1=CC=C(P(=O)(O)O)C=C1 YH05728 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 JZ0129 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 XJ0242 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.19 O=S(=O)(Cl)C1=CC=C(O)C=C1 YH59504 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.19 O=S(=O)(O)C1=CC=C(Cl)C=C1 XJ0251 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.19 O=S(=O)(O)C1=CC=C(O)C=C1 XJ0252 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 LQ4598 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 LT3819 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.21 CC(=O)C1=CC(Br)=C(Br)C=C1 LX3134 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 YH06604 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 HL0596 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 JZ2152 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 XJ0695 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 LQ0788 [1,1,0,0,0,0|0,0,0]=2 465 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 LX2782 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 JZ4491 [1,1,0,0,0,0|0,0,0]=2 467 B11R1.21 CC(=O)C1=CC=C(Br)C(F)=C1 LX2244 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 LL0209 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.21 CC(=O)C1=CC=C(Cl)C(Cl)=C1 JZ2110 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 LQ3334 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 YH92885 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 LQ1233 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 LT6782 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 LQ0789 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 LL1505 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 XJ2209 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 LT2618 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 LT2606 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.21 CC1=CC(C(=O)Cl)=CC=C1Br LQ4321 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.21 CC1=CC(C(=O)O)=CN=C1F LT3944 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.21 CC1=CC=C(C(=O)Cl)C=C1I YH65834 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl LQ2823 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.21 CC1=CC=C(C(N)=O)C=C1N LT3129 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 LT2911 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 LT2770 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 LQ1234 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 LQ2164 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 JZ0161 [1,1,0,0,0,0|0,0,0]=2 489 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 LT2040 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br YH11091 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl YH49312 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.21 NC1=CC=C(C(=O)O)C=C1F RT1599 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.21 O=C(Cl)C1=CC(Br)=C(F)C=C1 HL0321 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 LQ2350 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.21 O=C(Cl)C1=CC(Cl)=C(F)C=C1 LL1129 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 HL4581 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 RT15411 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 XJ5456 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 HL1019 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 XJ5455 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 LQ0791 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 LQ5082 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 YH55532 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=C1 LQ5083 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 LT6724 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 LQ0790 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 LQ5176 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 LQ0734 [1,1,0,0,0,0|0,0,0]=2 509 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 LT6644 [1,1,0,0,0,0|0,0,0]=2 510 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 YH65444 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 LT6536 [1,1,0,0,0,0|1,0,1]=4 512 B11R1.21 O=[N+]([O-])C1=CC(I)=C(O)C=C1 YH93889 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 HL0592 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 LX2629 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 YH65890 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 YH65861 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 LL0744 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 HL0874 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Br LX2251 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.166 CC(=O)C1=CC=C(C)C=C1O YH14255 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br YH88248 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1F LL2461 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br YH10272 [1,1,0,0,0,0|0,0,0]=2 524 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl XJ6151 [1,1,0,0,0,0|0,0,0]=2 525 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl YH00402 [1,1,0,0,0,0|0,0,0]=2 526 B11R1.166 CC(=O)C1=CC=C(O)C=C1F YH98787 [1,1,0,0,0,0|0,0,0]=2 527 B11R1.166 CC(=O)C1=CC=C(O)C=C1O RT11977 [1,1,0,0,0,0|0,0,0]=2 528 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 LX3005 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 LT3053 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 LQ3335 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 LX2050 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O YH17041 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 YH13201 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.166 CC1=CC(O)=C(C(N)=O)C=C1 LT2462 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.166 CC1=CC(O)=CC=C1B(O)O LL2867 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 YH18052 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 HL2212 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 LT0244 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.166 CC1=NC(F)=CC=C1C(=O)O LX2404 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl XJ2193 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 YH45406 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 LT0240 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 RT1598 [1,1,0,0,0,0|1,0,0]=3 544 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 XJ2208 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 XJ0046 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.166 NC1=CC=C(C(=O)O)C(F)=C1 LX3182 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 HL3362 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 JZ3312 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 LL0519 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 LQ0597 [1,1,0,0,0,0|1,0,1]=4 551 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 XJ1113 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 HL0593 [1,1,0,0,0,0|1,0,0]=3 553 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 RT11949 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 HL1032 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 YH07341 [1,1,0,0,0,0|0,0,0]=2 556 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 RT12288 [1,1,0,0,0,0|1,0,0]=3 557 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 XJ0764 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 YH89414 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 LT2788 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 LQ0700 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.166 O=C(O)C1=C(O)N=C(O)N=C1 RT18056 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O HL0984 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl LQ4961 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl LT6491 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br YH51932 [1,1,0,0,0,0|1,0,0]=3 566 B11R1.166 O=C(O)C1=CC=C(I)C=C1F LL2023 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl RT11083 [1,1,0,0,0,0|0,0,0]=2 568 B11R1.166 O=C(O)C1=CC=C(S)C=C1Br RT13176 [1,1,0,0,0,0|0,1,0]=3 569 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl HL4459 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl YH27314 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl YH19973 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.166 O=[N+]([O-])C1=C(F)C=C(O)C=C1 LT6783 [1,1,0,0,0,0|1,0,1]=4 573 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 CJ2522 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 LQ1163 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.7 COP(C)(=O)C1=CC=CC=C1 JZ2962 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 JZ5229 [1,1,0,0,0,0|1,1,0]=4 577 B11R1.12 COC(OC)C1=CC=CC=C1 HL0685 [1,1,0,0,0,0|0,0,2]=4 578 B11R1.12 COP(OC)C1=CC=CC=C1 JZ2190 [1,1,0,0,0,0|1,0,1]=4 579 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [1,1,0,0,0,0|0,0,0]=2 581 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [1,1,0,0,0,0|0,0,0]=2 582 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.16 CCOC(=O)C1=CC=NN=C1 YH58768 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [1,1,0,0,0,0|0,0,2]=4 585 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [1,1,0,0,0,0|0,0,0]=2 588 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [1,1,0,0,0,0|1,0,1]=4 589 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [1,1,0,0,0,0|1,0,0]=3 590 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [1,1,0,0,0,0|1,0,0]=3 591 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 LL0937 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 LQ3566 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 RT2023 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.23 COC(=O)C1=CC(=O)NC=N1 YH16507 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 LQ5409 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 YH24417 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.23 COC(=O)C1=CC(F)=NC=C1 HL1809 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.23 COC(=O)C1=CC(N)=CN=C1 YH56942 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.23 COC(=O)C1=CC(O)=CC=C1 XJ4508 [1,1,0,0,0,0|0,0,0]=2 603 B11R1.23 COC(=O)C1=CC=CC(C)=C1 XJ0280 [1,1,0,0,0,0|0,0,0]=2 604 B11R1.23 COC(=O)C1=CC=CC(N)=C1 HL2757 [1,1,0,0,0,0|0,0,0]=2 605 B11R1.23 COC(=O)C1=CC=NC(N)=C1 RT4204 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 YH50429 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 LX2859 [1,1,0,0,0,0|1,0,0]=3 608 B11R1.23 COC(=O)C1=NC(F)=CC=C1 HL1810 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12209 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12213 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.23 COC(=O)C1=NC=CC(N)=C1 YH15318 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 XJ0840 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.23 O=C(CCl)C1=CC=CC(Cl)=C1 LQ4318 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [1,1,0,0,0,0|1,0,0]=3 616 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [1,1,0,0,0,0|1,0,0]=3 618 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl JZ2121 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.36 O=C(C1=CC=CC=C1)C(F)F HL1767 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [1,1,0,0,0,0|1,0,0]=3 623 B11R1.222 CNC(=O)C1=CC=CC=C1N HL2654 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 YH05902 [1,1,0,0,0,0|1,0,0]=3 625 B11R1.222 COC(=O)C1=C(C)C=CC=C1 LT7460 [1,1,0,0,0,0|0,0,0]=2 626 B11R1.222 COC(=O)C1=C(I)C=CC=C1 LT1761 [1,1,0,0,0,0|0,0,0]=2 627 B11R1.222 COC(=O)C1=C(I)C=NC=C1 YH42716 [1,1,0,0,0,0|1,0,0]=3 628 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HL4261 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.222 COC(=O)C1=C(N)N=CC=N1 LT5963 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.222 COC(=O)C1=C(O)C=CN=C1 YH13199 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.222 COC(=O)C1=C(O)N=CN=C1 JZ2595 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.222 COC(=O)C1=CC=CC=C1O JZ3307 [1,1,0,0,0,0|0,0,0]=2 633 B11R1.222 COC(=O)C1=CC=CN=C1C XJ6093 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.222 COC(=O)C1=CC=CN=C1F XJ0762 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.222 COC(=O)C1=CC=CN=C1N LQ3812 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.222 COC(=O)C1=CN=CN=C1C HL3598 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.222 COC(=O)C1=NC=CC=C1C YH09125 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.222 COC(=O)C1=NC=CC=C1O XJ5981 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.222 O=C(NO)C1=CC=CC=C1O JZ1752 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.222 [2H]OC(=O)C1=CC=CC=C1Cl RT12698 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 YH39378 [0,1,0,0,1,0|2,0,0]=4 650 B11R1.44 COC(=O)C1=CC=C(CCl)O1 YH46297 [0,1,0,0,1,0|2,0,0]=4 651 B11R1.44 COC(=O)C1=CSC(C=O)=C1 LT5533 [0,1,0,0,1,0|1,0,1]=4 652 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 LT0618 [0,1,0,0,1,0|2,0,0]=4 653 B11R1.225 COC(=O)C1=CC(N)=CN1C YH66239 [0,1,0,0,1,0|2,0,0]=4 654 B11R1.225 COC(=O)C1=CC(O)=NN1C YH65836 [0,1,0,0,1,0|2,0,0]=4 655 B11R1.226 COC(=O)C1=CC(C)=C(Br)S1 YH06593 [0,1,0,0,1,0|2,0,0]=4 656 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 YH59031 [0,1,0,0,1,0|2,0,0]=4 657 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 YH65627 [0,1,0,0,1,0|2,0,0]=4 658 B11R1.226 COC(=O)C1=NC(O)=C(C)O1 RT14616 [0,1,0,0,1,0|2,0,0]=4 659 B11R1.226 COC(=O)C1=NN(C)C(O)=C1 YH04941 [0,1,0,0,1,0|2,0,0]=4 660 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 JZ0443 [0,1,0,0,1,0|2,0,0]=4 661 B13R1.5 COC(=O)CC1=CC=C(CBr)C=C1 YH65892 [0,1,0,0,0,1|1,0,0]=3 662 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 YH65539 [0,1,0,0,0,1|1,0,0]=3 663 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 JZ4838 [0,1,0,0,0,1|1,0,0]=3 664 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 YH02840 [0,1,0,0,0,1|1,0,0]=3 665 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 XJ4339 [0,1,0,0,0,1|0,0,0]=2 666 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 YH66166 [0,1,0,0,0,1|2,0,0]=4 667 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 YH66167 [0,1,0,0,0,1|2,0,0]=4 668 B13R1.21 CNC(=O)N(C)C1=CC=C(Cl)C=C1 LQ0606 [0,1,0,0,0,1|2,0,0]=4 669 B13R1.21 COC(=O)C(N)C1=CC=C(O)C=C1 JZ0189 [0,1,0,0,0,1|0,0,0]=2 670 B13R1.21 COC(=O)[C@@H](N)C1=CC=C(O)C=C1 LT5915 [0,1,0,0,0,1|0,0,0]=2 671 B13R1.2679 COC(=O)CC1=C(Br)C=C(Cl)C=C1 LT2294 [0,1,0,0,0,1|1,0,0]=3 672 B13R1.2679 COC(=O)CC1=CC=C(Cl)C=C1Br HL3271 [0,1,0,0,0,1|1,0,0]=3 673 B13R1.2879 CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 JZ4143 [0,1,0,0,0,1|2,0,0]=4 674 B13R1.2879 CNC(=O)NC1=CC=C(Cl)C(Cl)=C1 RT3465 [0,1,0,0,0,1|2,0,0]=4 675 B13R1.2879 COC(=O)CC1=CC=C(O)C(O)=C1 RT11784 [0,1,0,0,0,1|0,0,0]=2 676 B13R1.36 CSC1=CC=C(C(=O)C(C)C)C=C1 LT2413 [0,2,0,0,0,0|1,1,0]=4 677 B13R1.95 CNC1=CC(Cl)=C(C(=O)OC)C=C1 XJ4435 [0,2,0,0,0,0|1,0,0]=3 678 B13R1.95 COC(=O)C1=C(Br)C=C(CBr)C=C1 YH65108 [0,2,0,0,0,0|1,0,0]=3 679 B13R1.95 COC(=O)C1=C(O)C=C(OC)C=C1 LQ2879 [0,2,0,0,0,0|0,0,0]=2 680 B13R1.139 CCOC1=CC=C(C(=O)OC)C=C1 LT2927 [0,2,0,0,0,0|0,0,0]=2 681 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 LT3015 [0,2,0,0,0,0|1,0,0]=3 682 B13R1.139 COC(=O)C1=CC=C(CC=O)C=C1 YH65628 [0,2,0,0,0,0|0,0,1]=3 683 B13R1.139 COC(=O)C1=CC=C(CCI)C=C1 RT11215 [0,2,0,0,0,0|1,0,0]=3 684 B13R1.139 COC(=O)C1=CC=C(N=C=O)C=C1 YH48113 [0,2,0,0,0,0|0,0,1]=3 685 B13R1.452 C=CC1=CC=C(C(=O)OCC)C=C1 YH51162 [0,2,0,0,0,0|1,0,0]=3 686 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 LT2976 [0,2,0,0,0,0|0,0,1]=3 687 B13R1.452 CCOC(=O)C1=CC=C(CBr)C=C1 LQ4527 [0,2,0,0,0,0|1,0,0]=3 688 B13R1.452 CCOC(=O)C1=CC=C(NC)C=C1 RT3205 [0,2,0,0,0,0|1,0,0]=3 689 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 YH35358 [0,2,0,0,0,0|1,0,0]=3 690 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 LQ0231 [0,2,0,0,0,0|0,0,0]=2 691 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 YH17643 [0,2,0,0,0,0|2,0,0]=4 692 B13R1.452 CCOC(=O)C1=NC=C(CO)N=C1 LX2206 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 LT4193 [0,2,0,0,0,0|1,0,0]=3 694 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 YH66181 [0,2,0,0,0,0|1,0,0]=3 695 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 JZ3096 [0,2,0,0,0,0|0,0,1]=3 696 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 JZ2386 [0,2,0,0,0,0|0,0,1]=3 697 B13R1.537 COC(=O)C1=CC=C(N(C)C)C=C1 LT5168 [0,2,0,0,0,0|1,0,0]=3 698 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 YH95020 [0,2,0,0,0,0|1,0,0]=3 699 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 RT10933 [0,2,0,0,0,0|2,0,0]=4 700 B13R1.3088 CCC1=CC=C(C(=O)OC)C=C1I RT12038 [0,2,0,0,0,0|1,0,0]=3 701 B13R1.3088 COC(=O)C1=CC(I)=C(OC)C=C1 YH56535 [0,2,0,0,0,0|0,0,0]=2 702 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 LQ4439 [0,2,0,0,0,0|0,0,0]=2 703 B13R1.3088 COC(=O)C1=CC=C(OC)C(F)=C1 CJ2409 [0,2,0,0,0,0|0,0,0]=2 704 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 LT2754 [0,2,0,0,0,0|2,0,0]=4 705 B13R1.17 CCCCC(=O)C1=CC=C(C)C=C1 LQ1869 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.17 CCCOC(=O)C1=CC=C(N)C=C1 HL1244 [0,2,0,0,0,0|1,0,0]=3 707 B13R1.17 CCCOC(=O)C1=CC=C([O-])C=C1 YH56463 [0,2,0,0,0,0|0,0,1]=3 708 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 LT6436 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 LT2763 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.466 CC1=CC=C(C(=O)CCCl)C=C1C CJ2843 [0,2,0,0,0,0|2,0,0]=4 711 B13R1.466 CCCC(=O)C1=CC=C(O)C(O)=C1 RT6100 [0,2,0,0,0,0|1,0,0]=3 712 B13R1.466 CCOC(=O)C1=CC(=O)N(C)C=C1 LT5880 [0,2,0,0,0,0|2,0,0]=4 713 B13R1.466 CCOC(=O)C1=CC(Cl)=C(N)C=C1 LT2023 [0,2,0,0,0,0|1,0,0]=3 714 B13R1.466 CCOC(=O)C1=CC=C(O)C(Br)=C1 YH66436 [0,2,0,0,0,0|0,0,0]=2 715 B13R1.466 CCOC(=O)C1=CN(C)C(=O)C=C1 LT5875 [0,2,0,0,0,0|1,0,1]=4 716 B13R1.466 CCOC(=O)C1=CN=C(C)C(C)=C1 RT9408 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 HL1306 [0,2,0,0,0,0|1,0,0]=3 718 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 YH55617 [0,2,0,0,0,0|1,0,1]=4 719 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1 YH59540 [0,2,0,0,0,0|2,0,0]=4 720 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1F HL3208 [0,2,0,0,0,0|1,0,0]=3 721 B13R1.510 CC(N)C(=O)C1=CC=C(O)C(O)=C1 RT1554 [0,2,0,0,0,0|1,0,0]=3 722 B13R1.525 CC1=CC=C(C(=O)C(C)(C)C)C=C1 XJ3986 [0,2,0,0,0,0|2,0,0]=4 723 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 YH00653 [0,2,0,0,0,0|1,0,0]=3 724 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 JZ2388 [0,2,0,0,0,0|0,0,0]=2 725 B13R1.49 COC(=O)C1=CC=C(O)C(C#N)=C1 YH37079 [0,2,0,0,0,0|0,0,0]=2 726 B13R1.49 COC1=CC(C(=O)CBr)=CC=C1O YH14451 [0,2,0,0,0,0|2,0,0]=4 727 B13R1.49 COC1=CC(C(=O)CO)=CC=C1O LT2460 [0,2,0,0,0,0|2,0,0]=4 728 B13R1.49 O=C(CBr)C1=CC=C(O)C(CO)=C1 YH66695 [0,2,0,0,0,0|2,0,0]=4 729 B13R1.49 O=CC1=CC(C(=O)CBr)=CC=C1O RT3343 [0,2,0,0,0,0|2,0,0]=4 730 B13R1.1807 COC(=O)C1=C(F)C=C(F)C(N)=C1 LL2051 [0,2,0,0,0,0|1,0,0]=3 731 B13R1.1807 COC(=O)C1=CC(C)=C(O)C=C1C YH51060 [0,2,0,0,0,0|0,0,0]=2 732 B13R1.1807 COC(=O)C1=CC(F)=C(F)C=C1N YH45350 [0,2,0,0,0,0|1,0,0]=3 733 B13R1.2678 COC(=O)C1=CC(Br)=C(N)C(Cl)=C1 YH65909 [0,2,0,0,0,0|1,0,0]=3 734 B13R1.2678 COC(=O)C1=CC(C)=C(Br)C(C)=C1 LX2960 [0,2,0,0,0,0|1,0,0]=3 735 B13R1.2678 COC(=O)C1=CC(Cl)=C(N)C(C)=C1 YH65735 [0,2,0,0,0,0|1,0,0]=3 736 B13R1.2678 COC(=O)C1=CC(Cl)=C(O)C(Cl)=C1 XJ2482 [0,2,0,0,0,0|0,0,0]=2 737 B13R1.2678 COC(=O)C1=CC(O)=C(O)C(O)=C1 JZ0356 [0,2,0,0,0,0|0,0,0]=2 738 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1C#N CJ3306 [0,2,0,0,0,0|1,0,0]=3 739 B13R1.2065 COC(=O)C1=CC=C(N)C=C1OC YH51352 [0,2,0,0,0,0|1,0,0]=3 740 B13R1.2065 COC(=O)C1=CC=C(O)C=C1OC YH65166 [0,2,0,0,0,0|0,0,0]=2 741 B13R1.4656 COC(=O)C1=C(O)C=C(F)C=C1F LT2211 [0,2,0,0,0,0|1,0,0]=3 742 B13R1.4656 COC(=O)C1=C(O)C=C(O)C=C1O LQ2413 [0,2,0,0,0,0|0,0,0]=2 743 B13R1.4656 O=C(CCl)C1=C(O)C=C(O)C=C1O YH65185 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.37 COC1=C(C=O)C=CC(O)=C1 LT2826 [0,0,1,1,0,0|2,0,0]=4 745 B11R2.34 ClC1=CC=C(C2CO2)C=C1 RT7256 [1,0,0,1,0,0|1,0,1]=4 746 B11R2.34 OC1=CC=C(C2CO2)C=C1 RT7953 [1,0,0,1,0,0|0,0,1]=3 747 B11R2.36 NC1=CC2=C(C=C1)COC2 YH10378 [1,0,0,1,0,0|1,0,1]=4 748 B11R2.36 OC1=CC2=C(C=C1)CNC2 YH66673 [1,0,0,1,0,0|1,0,1]=4 749 B11R2.36 OC1=CC=C2C=CNC2=C1 LQ2181 [1,0,0,1,0,0|2,0,0]=4 750 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [1,0,0,1,0,0|2,0,0]=4 751 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [1,0,0,1,0,0|1,0,1]=4 752 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [1,0,0,1,0,0|1,0,0]=3 753 B11R2.1 O=C1CCC2=CC=CN=C12 YH53701 [1,0,0,1,0,0|2,0,0]=4 754 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [1,0,0,1,0,0|2,0,0]=4 755 B11R2.1 O=C1NCC2=C1C=NC=C2 YH59390 [1,0,0,1,0,0|2,0,0]=4 756 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [1,0,0,1,0,0|1,0,0]=3 757 B11R2.1 O=C1NCC2=NC=CC=C12 YH59389 [1,0,0,1,0,0|2,0,0]=4 758 B11R2.1 O=C1NOC2=CC=CC=C12 LQ4291 [1,0,0,1,0,0|2,0,0]=4 759 B11R2.1 O=C1NSC2=CC=CC=C12 RT10518 [1,0,0,1,0,0|2,0,0]=4 760 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 RT14111 [0,0,0,1,0,1|1,0,1]=4 761 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 YH43343 [0,0,0,1,0,1|2,0,0]=4 762 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 XJ2654 [0,0,0,1,0,1|2,0,0]=4 763 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 YH54618 [0,0,0,1,0,1|2,0,0]=4 764 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 LT1317 [0,0,0,1,0,1|1,0,0]=3 765 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 LQ2789 [0,1,0,1,0,0|1,0,0]=3 766 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)CC2 CJ2853 [0,1,0,1,0,0|2,0,0]=4 767 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)OC2 LT1322 [0,1,0,1,0,0|1,0,0]=3 768 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 YH14397 [0,1,0,1,0,0|2,0,0]=4 769 B13R2.520 O=C(C1=CC=C(F)C=C1)C2CC2 HL0424 [0,1,0,1,0,0|2,0,0]=4 770 B13R2.5179 CC1=CC=C2C(=O)CCOC2=C1 LT5927 [0,1,0,1,0,0|2,0,0]=4 771 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 LQ2489 [0,1,0,1,0,0|2,0,0]=4 772 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 RT2455 [0,1,0,1,0,0|2,0,0]=4 773 B13R2.5179 O=C1CCCC2=C1C=CC(O)=C2 LQ2488 [0,1,0,1,0,0|1,0,0]=3 774 B13R2.5179 O=C1CCCC2=CC(Br)=CC=C12 YH12709 [0,1,0,1,0,0|2,0,0]=4 775 B13R2.5179 O=C1CCCC2=CC(Cl)=CC=C12 YH65510 [0,1,0,1,0,0|2,0,0]=4 776 B13R2.5179 O=C1CCCC2=CC(F)=CC=C12 LX2938 [0,1,0,1,0,0|2,0,0]=4 777 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 YH66658 [0,1,0,1,0,0|2,0,0]=4 778 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 RT2428 [0,1,0,1,0,0|2,0,0]=4 779 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 XJ0647 [0,1,0,1,0,0|1,0,1]=4 780 B13R2.5187 O=C1OC(=O)C2=CC(O)=CC=C12 LT5970 [0,1,0,1,0,0|0,0,1]=3 781 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O YH00452 [0,1,0,1,0,0|2,0,0]=4 782 B13R2.11634 CC1=C(C)C=C2C(=O)CCC2=C1 CJ2805 [0,1,0,1,0,0|2,0,0]=4 783 B13R2.11634 O=C1CCC2=CC(Cl)=C(Cl)C=C12 LX3130 [0,1,0,1,0,0|2,0,0]=4 784 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 LL2361 [0,1,0,1,0,0|2,0,0]=4 785 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 YH37976 [0,1,0,1,0,0|2,0,0]=4 786 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 CJ2540 [0,1,0,1,0,0|2,0,0]=4 787 B13R2.11642 O=C1NCC2=C1C(F)=CC(Br)=C2 YH98120 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [1,0,0,0,1,0|2,0,0]=4 789 B9R1.35 CC(=O)C1=CC(Cl)=CS1 XJ5172 [1,0,0,0,1,0|2,0,0]=4 790 B9R1.35 CC(=O)C1=CC=C(Br)S1 XJ2893 [1,0,0,0,1,0|2,0,0]=4 791 B9R1.35 CC(=O)C1=CC=C(C)O1 JZ1181 [1,0,0,0,1,0|2,0,0]=4 792 B9R1.35 CC(=O)C1=CC=C(Cl)S1 LQ1289 [1,0,0,0,1,0|2,0,0]=4 793 B9R1.35 CC(=O)C1=CN(C)C=C1 JZ4275 [1,0,0,0,1,0|2,0,0]=4 794 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [1,0,0,0,1,0|2,0,0]=4 795 B9R1.35 CC1=CNC(C(=O)O)=C1 YH42507 [1,0,0,0,1,0|2,0,0]=4 796 B9R1.35 CC1=CSC(C(=O)O)=C1 XJ4050 [1,0,0,0,1,0|2,0,0]=4 797 B9R1.35 O=C(O)C1=CC(Br)=CS1 LQ3954 [1,0,0,0,1,0|2,0,0]=4 798 B9R1.35 O=C(O)C1=CC(Br)=CS1 RT8377 [1,0,0,0,1,0|2,0,0]=4 799 B9R1.35 O=C(O)C1=CC=C(Br)S1 JZ0392 [1,0,0,0,1,0|2,0,0]=4 800 B9R1.35 O=C(O)C1=CC=C(Cl)S1 XJ4788 [1,0,0,0,1,0|2,0,0]=4 801 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [1,0,0,0,1,0|2,0,0]=4 802 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [1,0,0,0,1,0|2,0,0]=4 803 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [1,0,0,0,1,0|2,0,0]=4 804 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [1,0,0,0,1,0|2,0,0]=4 805 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [1,0,0,0,1,0|1,0,0]=3 806 B9R1.11 COC(=O)C1=CNC=C1 YH51079 [1,0,0,0,1,0|1,0,0]=3 807 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [1,0,0,0,1,0|2,0,0]=4 808 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [1,0,0,0,1,0|2,0,0]=4 809 B9R1.11 CSC(=O)C1=CC=CO1 JZ4812 [1,0,0,0,1,0|1,1,0]=4 810 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [1,0,0,0,0,1|2,0,0]=4 811 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [1,0,0,0,0,1|2,0,0]=4 812 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [1,0,0,0,0,1|2,0,0]=4 813 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [1,0,0,0,0,1|2,0,0]=4 814 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [1,0,0,0,0,1|2,0,0]=4 815 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [1,0,0,0,0,1|2,0,0]=4 816 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [1,0,0,0,0,1|2,0,0]=4 817 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 JZ2791 [0,0,0,0,0,2|0,0,0]=2 818 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 YH03119 [0,0,0,0,0,2|1,0,0]=3 819 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 YH66453 [0,0,0,0,0,2|1,0,0]=3