0 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.15 C1=CC=C(N([O-])N=O)C=C1 LT7153 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 COC(=N)C1=NC=CC=C1 RT4090 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 COC(=O)C1=CC=CN=C1 JZ0756 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.15 COC(=O)C1=CCCCC1 YH42043 [0,0,0,0,0,0|0,0,4]=4 16 B10R1.15 COC(=O)C1=CCCNC1 RT4411 [0,0,0,0,0,0|1,0,3]=4 17 B10R1.15 COC(=O)C1=CN=CN=C1 YH55622 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 COC(=O)C1=NC=CC=N1 YH55623 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.15 N\C(=N/O)C1=CC=CN=C1 XJ1823 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.15 O=C(CBr)C1=NC=CN=C1 RT9592 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [1,0,0,0,0,0|0,0,0]=1 38 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 CC(=O)C1=CN=CN=C1 RT1973 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 CC(=O)C1=NC=CC=N1 YH05694 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.6 CN(C)C1=CC=NC=C1 LT3039 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [1,0,0,0,0,0|0,1,0]=2 53 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 ClP(Cl)C1=CC=CC=C1 JZ4097 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 YH96399 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 N=C(N)C1=CC=NC=C1 JZ2903 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 N=C(N)C1=CC=NC=C1 YH55019 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 NC(=O)C1=CC=CN=C1 XJ0261 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [1,0,0,0,0,0|1,1,0]=3 64 B9R1.6 O=C(Cl)C1=CC=CN=C1 JZ0788 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 O=C(Cl)C1=CC=CN=C1 LT7313 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 O=C(Cl)C1=CN=CC=N1 YH43954 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 O=C(Cl)C1=NC=CC=C1 LT5112 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.6 O=C(O)C1=CN=CN=C1 JZ0399 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 O=C(O)C1=CN=NC=C1 XJ5546 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.6 O=C(O)C1=NC=CC=N1 YH53937 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.6 O=C(O)C1=NC=NC=C1 LQ4720 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [1,0,0,0,0,0|0,0,1]=2 78 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [1,0,0,0,0,0|0,0,1]=2 79 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [1,0,0,0,0,0|0,0,1]=2 80 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [1,0,0,0,0,0|0,0,1]=2 81 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [1,0,0,0,0,0|0,0,1]=2 82 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [1,0,0,0,0,0|0,0,1]=2 83 B9R1.6 O=C([O-])C1=CN=CC=C1 LL1069 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.6 O=C([O-])C1=CN=CC=C1 LQ0027 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.6 O=C([O-])C1=NC=CC=C1 JZ5244 [1,0,0,0,0,0|1,0,1]=3 86 B9R1.6 O=C([O-])C1=NC=CC=C1 LQ3798 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 LQ2210 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [1,0,0,0,0,0|1,0,1]=3 92 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.6 OB(O)C1=CC=CC=N1 LL2565 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.6 OB(O)C1=CC=CN=C1 LQ1914 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.6 OB(O)C1=CC=NC=C1 CJ2813 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [1,0,0,0,0,0|0,0,0]=1 97 B9R1.6 [SiH](Cl)(Cl)C1=CC=CC=C1 HL0912 [1,0,0,0,0,0|2,1,0]=4 98 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 CCCC1=CC=NC=C1 LT3807 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 CCOC1=NC=CC=C1 LT1993 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,0,0,0,0|1,0,1]=3 104 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.8 COCC1=NC=CN=C1 LT2349 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,0,0,0,0|1,1,0]=3 108 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.8 O=N\C=C1\C=CC=CN1 RT8508 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 JZ2749 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.7 CCC(C)(O)C1=CC=CC=C1 JZ4655 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 LQ1163 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.7 COP(C)(=O)C1=CC=CC=C1 JZ2962 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 JZ5229 [0,1,0,0,0,0|1,1,0]=3 128 B11R1.7 O=S(=O)([N-]Cl)C1=CC=CC=C1 JZ1712 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.12 CC[C@@H](CCl)C1=CC=CC=C1 RT17488 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.12 COC(OC)C1=CC=CC=C1 HL0685 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.12 COP(OC)C1=CC=CC=C1 JZ2190 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,1,0,0,0,0|0,0,0]=1 136 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.16 CCOC(=O)C1=CC=NN=C1 YH58768 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [0,1,0,0,0,0|0,0,2]=3 140 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,1,0,0,0,0|0,0,0]=1 144 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 LL0937 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 HL2147 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 YH14959 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 RT11202 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 LT4307 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 JZ3934 [0,1,0,0,0,0|0,0,0]=1 158 B11R1.22 COC(=O)C1=CC=C(C)N=C1 RT12187 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 HL0691 [0,1,0,0,0,0|0,0,0]=1 160 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 JZ0748 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.22 COC(=O)C1=CC=C(F)C=C1 JZ1260 [0,1,0,0,0,0|0,0,0]=1 162 B11R1.22 COC(=O)C1=CC=C(F)N=C1 XJ1741 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.22 COC(=O)C1=CC=C(I)C=C1 JZ3935 [0,1,0,0,0,0|0,0,0]=1 164 B11R1.22 COC(=O)C1=CC=C(N)C=C1 JZ3936 [0,1,0,0,0,0|0,0,0]=1 165 B11R1.22 COC(=O)C1=CC=C(N)N=C1 JZ1658 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.22 COC(=O)C1=CC=C(O)C=C1 LT7452 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.22 COC(=O)C1=CC=C(O)C=N1 SY0217 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 YH03826 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 LX3189 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 XJ4983 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 YH93944 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 LT5905 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.22 COC(=O)C1=NC=C(O)N=C1 LT5907 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.22 C\C(=N/O)C1=CC=C(O)C=C1 RT10568 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 RT1562 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 LQ2917 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 RT2897 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 YH17779 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 HL1815 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 LX2710 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 YH43755 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 LQ2961 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 LL0964 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 HL1818 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 XJ2875 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 LT2239 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 HL1296 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 LT2785 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 RT10679 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 HL1817 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 YH11049 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 YH04927 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 LQ3566 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 RT2023 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.23 COC(=O)C1=CC(=O)NC=N1 YH16507 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 LQ5409 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 YH24417 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.23 COC(=O)C1=CC(F)=NC=C1 HL1809 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.23 COC(=O)C1=CC(N)=CN=C1 YH56942 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.23 COC(=O)C1=CC(O)=CC=C1 XJ4508 [0,1,0,0,0,0|0,0,0]=1 205 B11R1.23 COC(=O)C1=CC=CC(C)=C1 XJ0280 [0,1,0,0,0,0|0,0,0]=1 206 B11R1.23 COC(=O)C1=CC=CC(N)=C1 HL2757 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.23 COC(=O)C1=CC=NC(N)=C1 RT4204 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 YH50429 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 LX2859 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.23 COC(=O)C1=NC(F)=CC=C1 HL1810 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12209 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12213 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.23 COC(=O)C1=NC=CC(N)=C1 YH15318 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 XJ0840 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.23 N\C(=N/O)C1=CC(Cl)=CC=C1 YH47269 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.23 O=C(CCl)C1=CC=CC(Cl)=C1 LQ4318 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 LL0879 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 HL0407 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 YH58730 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 JZ3850 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.36 CC(C1=CC=CC=C1)N(C)C XJ2195 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 RT3084 [0,1,0,0,0,0|1,0,2]=4 228 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl JZ2121 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.36 O=C(C1=CC=CC=C1)C(F)F HL1767 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.222 CNC(=O)C1=CC=CC=C1N HL2654 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 YH05902 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.222 COC(=O)C1=C(C)C=CC=C1 LT7460 [0,1,0,0,0,0|0,0,0]=1 237 B11R1.222 COC(=O)C1=C(I)C=CC=C1 LT1761 [0,1,0,0,0,0|0,0,0]=1 238 B11R1.222 COC(=O)C1=C(I)C=NC=C1 YH42716 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HL4261 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.222 COC(=O)C1=C(N)N=CC=N1 LT5963 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.222 COC(=O)C1=C(O)C=CN=C1 YH13199 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.222 COC(=O)C1=C(O)N=CN=C1 JZ2595 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.222 COC(=O)C1=CC=CC=C1O JZ3307 [0,1,0,0,0,0|0,0,0]=1 244 B11R1.222 COC(=O)C1=CC=CN=C1C XJ6093 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.222 COC(=O)C1=CC=CN=C1F XJ0762 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.222 COC(=O)C1=CC=CN=C1N LQ3812 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.222 COC(=O)C1=CN=CN=C1C HL3598 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.222 COC(=O)C1=NC=CC=C1C YH09125 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.222 COC(=O)C1=NC=CC=C1O XJ5981 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.222 C\C(NO)=C1\C=CC=CC1=O RT6027 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.222 O=C(NO)C1=CC=CC=C1O JZ1752 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.222 [2H]OC(=O)C1=CC=CC=C1Cl RT12698 [0,1,0,0,0,0|1,0,0]=2 261 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.1 BrC1=NNC2=CC=CC=C21 LX3057 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [0,0,0,1,0,0|2,0,0]=3 264 B11R2.1 CC1=COC2=CC=CC=C12 LQ4241 [0,0,0,1,0,0|3,0,0]=4 265 B11R2.1 CC1=CSC2=CC=CC=C12 HL0822 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [0,0,0,1,0,0|3,0,0]=4 269 B11R2.1 ClC1=NSC2=C1C=CC=C2 LQ3345 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.1 IC1=NNC2=CC=CC=C21 YH12813 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.1 NC1=NSC2=C1C=CC=C2 LQ4347 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [0,0,0,1,0,0|2,0,1]=4 273 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [0,0,0,1,0,0|2,0,1]=4 275 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [0,0,0,1,0,0|1,0,1]=3 276 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [0,0,0,1,0,0|1,0,0]=2 277 B11R2.1 O=C1CCC2=CC=CN=C12 YH53701 [0,0,0,1,0,0|2,0,0]=3 278 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [0,0,0,1,0,0|2,0,0]=3 279 B11R2.1 O=C1NCC2=C1C=NC=C2 YH59390 [0,0,0,1,0,0|2,0,0]=3 280 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [0,0,0,1,0,0|1,0,0]=2 281 B11R2.1 O=C1NCC2=NC=CC=C12 YH59389 [0,0,0,1,0,0|2,0,0]=3 282 B11R2.1 O=C1NN=C2C=CC=CN12 XJ3189 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.1 O=C1NOC2=CC=CC=C12 LQ4291 [0,0,0,1,0,0|2,0,0]=3 284 B11R2.1 O=C1NSC2=CC=CC=C12 RT10518 [0,0,0,1,0,0|2,0,0]=3 285 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [0,0,0,1,0,0|2,0,1]=4 286 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [0,0,0,1,0,0|2,1,0]=4 287 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 LQ0894 [0,0,0,1,0,0|2,0,1]=4 288 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH00383 [0,0,0,1,0,0|2,0,1]=4 289 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH16483 [0,0,0,1,0,0|2,0,1]=4 290 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [0,0,0,0,1,0|2,0,0]=3 291 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [0,0,0,0,1,0|2,0,0]=3 292 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [0,0,0,0,1,0|2,0,0]=3 293 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [0,0,0,0,1,0|2,0,0]=3 294 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [0,0,0,0,1,0|1,0,0]=2 295 B9R1.11 COC(=O)C1=CCCC1 RT12020 [0,0,0,0,1,0|0,0,3]=4 296 B9R1.11 COC(=O)C1=CNC=C1 YH51079 [0,0,0,0,1,0|1,0,0]=2 297 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [0,0,0,0,1,0|2,0,0]=3 298 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [0,0,0,0,1,0|2,0,0]=3 299 B9R1.11 COC(=O)C1=NNC=N1 YH03297 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.11 COC(=O)C1CC=CC1 YH08307 [0,0,0,0,1,0|0,0,3]=4 301 B9R1.11 CSC(=O)C1=CC=CO1 JZ4812 [0,0,0,0,1,0|1,1,0]=3 302 B9R1.11 NNC(=O)C1=CC=CO1 XJ2474 [0,0,0,0,1,0|3,0,0]=4 303 B9R1.11 NNC(=O)C1=CC=CS1 LQ2134 [0,0,0,0,1,0|3,0,0]=4 304 B9R1.11 O=C(CCl)C1=CC=CS1 LT0548 [0,0,0,0,1,0|3,0,0]=4 305 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [0,0,0,0,0,1|3,0,0]=4 306 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 LQ0316 [0,0,0,0,0,1|3,0,0]=4 307 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [0,0,0,0,0,1|2,0,0]=3 309 B11R1.40 NNC(=O)CC1=CC=CN=C1 YH43733 [0,0,0,0,0,1|3,0,0]=4 310 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 RT9532 [0,0,0,0,0,1|3,0,0]=4 311 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [0,0,0,0,0,1|2,0,0]=3 312 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [0,0,0,0,0,1|2,0,0]=3 313 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [0,0,0,0,0,1|2,0,0]=3 314 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [0,0,0,0,0,1|2,0,0]=3 315 B11R1.40 O=C(CCl)NC1=NC=CC=C1 RT2329 [0,0,0,0,0,1|3,0,0]=4 316 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [0,0,0,0,0,1|2,0,0]=3 317 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 XJ4438 [0,0,0,0,0,1|3,0,0]=4 318 B8R0.4 C\C=C\C=C/C=C/C=O RT17881 [1,0,1,0,0,0|2,0,0]=4 319 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,1]=4 320 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,1]=3 322 B8R1.2 C=CC1=CC=CN=C1 RT7678 [2,0,0,0,0,0|1,0,1]=4 323 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,1]=4 324 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,1]=4 325 B8R1.2 CNC1=CC=CN=C1 LT2493 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.2 CNC1=CC=NC=C1 LT6892 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 COC1=CC=CCC1 JZ1877 [2,0,0,0,0,0|0,0,2]=4 328 B8R1.2 COC1=CC=CN=C1 LT6817 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.2 COC1=NC=CC=C1 LT2109 [2,0,0,0,0,0|1,0,0]=3 330 B8R1.2 COC1=NC=CN=C1 LT2105 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 CSC1=NC=CC=C1 LT2167 [2,0,0,0,0,0|1,1,0]=4 332 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,1]=4 333 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|1,0,1]=4 335 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|1,0,1]=4 336 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 O=CC1=CC=CC=N1 JZ0732 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.2 O=CC1=CC=CN=C1 RT10183 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.2 O=CC1=CN=CN=C1 LX3173 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 O=CC1=NC=CC=N1 YH51306 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 O=CC1=NC=CN=C1 HL3002 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 O=CC1=NC=NC=C1 YH48930 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 O=CC1=NN=CC=C1 XJ5876 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|0,0,1]=3 348 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|1,0,1]=4 349 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|1,0,1]=4 350 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|0,1,1]=4 352 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 353 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|1,0,1]=4 354 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 YH07034 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [1,1,0,0,0,0|0,0,0]=2 361 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HL3496 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.13 CC(C)C1=CC=C(Br)C=C1 XJ1042 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.13 CC(N)C1=CC=C(Br)C=C1 YH48936 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.13 CC(O)C1=CC=C(F)C=C1 LQ0797 [1,1,0,0,0,0|0,0,2]=4 366 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY0255 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.13 CC1=CC=C(C(=O)O)C=C1 JZ0130 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.13 CC1=CC=C(C(C)C)C=C1 XJ5623 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.13 CC1=CC=C(C(C)N)C=C1 JZ0723 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [1,1,0,0,0,0|0,0,2]=4 372 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.13 CC1=CC=C(N(C)C)C=C1 YH99046 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.13 CC1=CC=C(S(=O)O)C=C1 LL0969 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.13 CC1=CC=C(S(N)=O)C=C1 YH66632 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.13 CC1=NC=C(C(=O)O)C=N1 YH04926 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.13 CC1=NC=C(C(=O)O)N=C1 LT1326 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.13 CN(C)C1=CC=C(Br)C=C1 LT2750 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.13 CN(C)C1=CC=C(N)C=C1 HL1305 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.13 CN(C)C1=CC=C(N)C=C1 LL0967 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.13 CN(C)C1=CC=C(N)C=C1 LQ4413 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.13 CN(C)C1=CC=C(N)C=C1 XJ3077 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 LQ5152 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 YH17516 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 XJ4897 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 HL3245 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HL2287 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.13 N=C(N)C1=CC=C(N)C=C1 JZ3229 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 N=C(N)C1=CC=C(O)C=C1 LT2008 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.13 N=C(N)C1=CC=C(O)C=C1 YH36971 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.13 NC(=O)C1=NC=C(N)C=C1 YH35056 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 YH49579 [1,1,0,0,0,0|1,1,0]=4 399 B10R1.13 NC1=CC=C(B(O)O)C=C1 SY0280 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.13 NC1=CC=C(C(=O)O)C=C1 RT3381 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.13 NC1=CC=C(C(=O)O)C=N1 LT3585 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 LT3105 [1,1,0,0,0,0|0,0,1]=3 403 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 JZ0055 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 XJ0449 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 JZ0749 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 JZ1126 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 JZ4692 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 XJ1044 [1,1,0,0,0,0|0,0,0]=2 410 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 JZ1200 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 JZ0383 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 LT3592 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 HL2902 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [1,1,0,0,0,0|0,0,0]=2 416 B10R1.13 O=C(O)C1=CC=C(I)C=C1 JZ3940 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.13 O=C(O)C1=CC=C(O)C=C1 JZ0015 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.13 O=C(O)C1=CC=C(O)N=C1 RT9389 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CJ2890 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 XJ5265 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 LX2929 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.13 O=C(O)C1=NC=C(O)N=C1 LX2658 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 HL1435 [1,1,0,0,0,0|0,0,1]=3 427 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 JZ4192 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 RT13188 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 LT0072 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 RT11294 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 LT3458 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 RT12985 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CJ2455 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 LQ1888 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.13 OB(O)C1=CC=C(F)C=C1 XJ1901 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.13 OB(O)C1=CC=C(O)C=C1 XJ6238 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.28 CC(C)(C)C1=CC=CC=C1 XJ0222 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.28 CC(C)(N)C1=CC=CC=C1 XJ1030 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.28 CC(C)(O)C1=CC=CC=C1 LQ1212 [1,1,0,0,0,0|0,0,2]=4 440 B10R1.28 CC(C)(S)C1=CC=CC=C1 YH38274 [1,1,0,0,0,0|0,1,1]=4 441 B10R1.28 CP(=O)(Cl)C1=CC=CC=C1 XJ2994 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 LQ2383 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HL2720 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 HL0392 [1,1,0,0,0,0|1,1,0]=4 445 B10R1.28 C[Si](C)(O)C1=CC=CC=C1 JZ2662 [1,1,0,0,0,0|0,1,1]=4 446 B10R1.28 C[Si](C)([O-])C1=CC=CC=C1 LQ3287 [1,1,0,0,0,0|0,1,1]=4 447 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 XJ0224 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 RT13210 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 JZ4027 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 YH06116 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.28 O=S(=O)(O)C1=NC=CC=C1 LT5888 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.28 O=S(=O)([Na])C1=CC=CC=C1 LT4044 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.28 O=S(=O)([Zn])C1=CC=CC=C1 LT4045 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 XJ0221 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.61 C=C(C)C1=CC=CC=C1C LQ4513 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [1,1,0,0,0,0|0,0,0]=2 457 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [1,1,0,0,0,0|0,0,0]=2 458 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.61 CC(=O)C1=CC=CN=C1C YH39691 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.61 CC(=O)C1=CC=CN=C1Cl YH07033 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.61 CC(=O)C1=CC=CN=C1N YH12193 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.61 CC(=O)C1=NC=CC=C1F YH65591 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.61 CC(=O)C1=NC=CN=C1C XJ4743 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.61 CC(C)C1=C(Br)C=CC=C1 XJ3244 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.61 CC(C)C1=C(N)C=CC=C1 JZ4085 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.61 CC(C)C1=C(O)C=CC=C1 LL0172 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.61 CC(N)C1=CC=CC=C1O YH66634 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [1,1,0,0,0,0|0,0,2]=4 470 B10R1.61 CC1=C(C(=O)O)C=CC=C1 LQ0494 [1,1,0,0,0,0|0,0,0]=2 471 B10R1.61 CC1=C(C(=O)O)C=CN=C1 RT9406 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.61 CC1=C(C(=O)O)C=NC=N1 HL3596 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.61 CC1=CC=CC=C1B(O)O LT6617 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.61 CC1=CC=CC=C1C(=O)Cl JZ4285 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.61 CC1=CC=CC=C1N(C)C XJ1085 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.61 CC1=CC=CN=C1C(=O)O LT5691 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.61 CC1=NC=CC=C1C(=O)O JZ2271 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.61 CC1=NC=CN=C1C(=O)O YH00415 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.61 CN(C)C1=CC=CC=C1Cl LQ1380 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.61 C[C@@H](N)C1=CC=CC=C1O YH29387 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] RT7788 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.61 N=C(N)C1=C(O)C=CC=C1 YH65820 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.61 NC(=O)C1=C(N)C=CN=C1 YH16594 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.61 NC(=O)C1=CC=CC=C1N LL0171 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.61 NC(=O)C1=NC=CC=C1N XJ5526 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.61 NC1=C(C(=O)O)C=CC=C1 LT0272 [1,1,0,0,0,0|0,0,0]=2 487 B10R1.61 NC1=C(C(=O)O)C=CN=C1 YH17177 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.61 NC1=C(C(=O)O)C=NC=C1 JZ3131 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.61 NC1=CC=CC=C1B(O)O LT0279 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.61 NC1=CC=CN=C1C(=O)O HL0849 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.61 NC1=NC=CN=C1C(=O)O LT6716 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 RT7792 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 JZ1033 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 XJ1083 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl LT2133 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 LQ0495 [1,1,0,0,0,0|0,0,0]=2 497 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 XJ3548 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 XJ4919 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.61 O=C(O)C1=C(F)C=CN=C1 LX2749 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.61 O=C(O)C1=C(F)C=NC=C1 HL1748 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.61 O=C(O)C1=C(I)C=CC=C1 LT6566 [1,1,0,0,0,0|0,0,0]=2 502 B10R1.61 O=C(O)C1=C(O)C=CC=C1 RT10607 [1,1,0,0,0,0|0,0,0]=2 503 B10R1.61 O=C(O)C1=C(O)C=CN=C1 XJ1084 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.61 O=C(O)C1=CC=CC=C1Br LL0169 [1,1,0,0,0,0|0,0,0]=2 505 B10R1.61 O=C(O)C1=CC=CC=C1S LQ3223 [1,1,0,0,0,0|0,0,0]=2 506 B10R1.61 O=C(O)C1=CC=CC=C1[O-] LQ0966 [1,1,0,0,0,0|0,0,0]=2 507 B10R1.61 O=C(O)C1=CC=CN=C1Cl LT6516 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.61 O=C(O)C1=CC=CN=C1F HL1749 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.61 O=C(O)C1=CN=CC=C1Br YH36635 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.61 O=C(O)C1=NC=CC=C1Br RT15189 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.61 O=C(O)C1=NC=CC=C1Cl XJ5804 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.61 O=C(O)C1=NC=CC=C1F YH36326 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.61 O=C(O)C1=NC=CC=C1O XJ1437 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.61 O=C(O)C1=NC=CC=C1S RT16346 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.61 O=C(O)C1=NC=CN=C1O YH65414 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.61 O=C([O-])C1=CC=CC=C1O HL0014 [1,1,0,0,0,0|0,0,1]=3 517 B10R1.61 O=C([O-])C1=CC=CC=C1O JZ3839 [1,1,0,0,0,0|0,0,1]=3 518 B10R1.61 O=C([O-])C1=CC=CC=C1O JZ5006 [1,1,0,0,0,0|0,0,1]=3 519 B10R1.61 O=C([O-])C1=CC=CC=C1O LQ0967 [1,1,0,0,0,0|0,0,1]=3 520 B10R1.61 O=C([O-])C1=CC=CC=C1O LQ4134 [1,1,0,0,0,0|0,0,1]=3 521 B10R1.61 O=C([O-])C1=CC=CC=C1[O-] LL1063 [1,1,0,0,0,0|0,0,1]=3 522 B10R1.61 O=C([O-])C1=NC=CC=C1Br RT16520 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.61 O=N(=O)C1=CC=CC=C1O LL0174 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 JZ3833 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 LL0173 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 RT12368 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 XJ1086 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.61 O=[N+]([O-])C1=C(S)C=CC=C1 YH03191 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] LQ1488 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 LT1715 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.61 OB(O)C1=C(F)C=CC=C1 XJ1970 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 LX2618 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 RT15363 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [1,1,0,0,0,0|0,0,0]=2 536 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [1,1,0,0,0,0|0,0,0]=2 537 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 LX2619 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CJ2939 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.113 CC(C)C1=CC(Br)=CC=C1 HL2984 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.113 CC(C)C1=CC(O)=CC=C1 RT10578 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.113 CC(C)C1=CC=CC(N)=C1 XJ2891 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 RT2925 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 JZ3057 [1,1,0,0,0,0|0,0,2]=4 546 B10R1.113 CC(O)C1=CC=CC(N)=C1 XJ2202 [1,1,0,0,0,0|0,0,2]=4 547 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.113 CC1=CC(N(C)C)=CC=C1 LL0511 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.113 CC1=CC=CC(B(O)O)=C1 LT6827 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.113 CC1=CC=CC(C(=O)O)=C1 XJ0266 [1,1,0,0,0,0|0,0,0]=2 551 B10R1.113 CC1=CC=CC(C(=O)O)=N1 JZ4291 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.113 CC1=CN=CC(C(=O)O)=C1 LT6022 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.113 CC1=NC(C(=O)O)=CC=N1 JZ4788 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 YH65966 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 XJ3010 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 RT4413 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.113 N=C(N)C1=CC=CC(F)=C1 XJ6333 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.113 N=C(N)C1=CC=CC(N)=C1 LT2228 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 LQ4630 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.113 NC(=O)C1=CC(F)=CC=C1 HL1806 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 LQ1218 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 JZ1859 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 XJ6709 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.113 NC1=CC(C(=O)O)=CN=C1 YH48838 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.113 NC1=CC(C(=O)O)=NC=C1 RT5964 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.113 NC1=CC=CC(B(O)O)=C1 LT2552 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.113 NC1=CC=CC(C(=O)O)=N1 JZ5606 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 XJ0269 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.113 NC1=NC=CC(C(=O)O)=C1 YH32218 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.113 NC1C=CC=C(C(=O)O)C1 RT4711 [1,1,0,0,0,0|0,0,2]=4 571 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 JZ4695 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 LQ1216 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 LT3937 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 LT3027 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.113 O=C(Cl)C1=CC(I)=CC=C1 JZ4696 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 JZ0792 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 LT3007 [1,1,0,0,0,0|0,0,0]=2 578 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 LT6515 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.113 O=C(O)C1=CC(F)=CC=C1 JZ1086 [1,1,0,0,0,0|0,0,0]=2 580 B10R1.113 O=C(O)C1=CC(F)=CN=C1 LQ0786 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.113 O=C(O)C1=CC(I)=CC=C1 LQ1220 [1,1,0,0,0,0|0,0,0]=2 582 B10R1.113 O=C(O)C1=CC(O)=CC=C1 RT13217 [1,1,0,0,0,0|0,0,0]=2 583 B10R1.113 O=C(O)C1=CC(S)=NC=C1 YH42361 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 LT2935 [1,1,0,0,0,0|0,0,0]=2 585 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 JZ4304 [1,1,0,0,0,0|0,0,0]=2 586 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 LQ2733 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.113 O=C(O)C1=CC=CC(F)=N1 LQ0787 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 LT3524 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.113 O=C(O)C1=CN=CC(O)=C1 JZ0794 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=N1 RT9260 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 JZ0754 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 YH48486 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 YH35927 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.113 O=C(O)C1=NC(O)=CC=C1 JZ0755 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 LX2083 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 LQ2927 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 YH57583 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY0110 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.113 O=[N+]([O-])C1=CC(Cl)=CC=C1 LL0512 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 JZ4098 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 LT1873 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 LQ0982 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 SY0269 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.113 OB(O)C1=CC(F)=CC=C1 LT2898 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.1 Br\C=C\C1=CC=C(Br)C=C1 RT6387 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|0,0,1]=3 613 B10R1.1 ClC1=CC=C(\C=C\Br)C=C1 RT6043 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.1 O\N=C\C1=CC=C(F)C=C1 YH02278 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.4 Br\C=C\C1=CC=CC=C1Br RT6046 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.4 O\N=C/C1=C(O)C=CC=C1 JZ1751 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 JZ1723 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.4 O\N=C\C1=CC=CC=C1Cl HL2579 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,1,0,0,0,0|0,0,2]=4 633 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.17 COCCC1=NC=CC=C1 LT3761 [1,1,0,0,0,0|1,0,1]=4 637 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,1,0,0,0,0|1,0,1]=4 638 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,1,0,0,0,0|0,0,1]=3 639 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,1,0,0,0,0|0,1,1]=4 640 B10R1.17 N#C\C=C\C1=CC=CC=C1 JZ2494 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.17 OC\C=C\C1=CC=CN=C1 RT7938 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.18 BrC(Br)=CC1=CC=CC=C1 YH16676 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,1,0,0,0,0|1,0,1]=4 649 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,1,0,0,0,0|0,1,1]=4 653 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.11 CCCC(=O)C1=CC=CS1 XJ2839 [0,1,0,0,1,0|2,0,0]=4 656 B10R1.11 CCOC(=O)C1=CC=CN1 LX2718 [0,1,0,0,1,0|1,0,0]=3 657 B10R1.11 CCOC(=O)C1=CC=CS1 HL2383 [0,1,0,0,1,0|1,0,0]=3 658 B10R1.11 CCOC(=O)C1=CNC=N1 XJ4741 [0,1,0,0,1,0|2,0,0]=4 659 B10R1.11 CCOC(=O)C1=CNN=C1 RT14133 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.11 CCOC(=O)C1=CSC=N1 LQ3748 [0,1,0,0,1,0|2,0,0]=4 661 B10R1.11 CCOC(=O)C1=NC=CN1 LQ4757 [0,1,0,0,1,0|2,0,0]=4 662 B10R1.11 O=C(CCCl)C1=CC=CS1 YH65807 [0,1,0,0,1,0|2,0,0]=4 663 B10R1.14 COC(=O)C1=CC(=O)NN1 YH66536 [0,1,0,0,1,0|2,0,0]=4 664 B10R1.14 COC(=O)C1=CC(O)=NO1 JZ3359 [0,1,0,0,1,0|2,0,0]=4 665 B10R1.14 COC(=O)C1=CC=C(N)S1 YH35219 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.14 COC(=O)C1=CN(C)C=N1 YH39848 [0,1,0,0,1,0|2,0,0]=4 667 B10R1.14 COC(=O)C1=CN=C(N)S1 LX2982 [0,1,0,0,1,0|2,0,0]=4 668 B10R1.14 COC(=O)C1=CSC(Br)=N1 YH39369 [0,1,0,0,1,0|2,0,0]=4 669 B10R1.14 COC(=O)C1=CSC(Cl)=N1 YH00700 [0,1,0,0,1,0|2,0,0]=4 670 B10R1.14 COC(=O)C1=CSC(N)=N1 RT15694 [0,1,0,0,1,0|2,0,0]=4 671 B10R1.149 COC(=O)C1=C(Br)C=CS1 YH50318 [0,1,0,0,1,0|1,0,0]=3 672 B10R1.149 COC(=O)C1=C(C)C=CO1 XJ3015 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.149 COC(=O)C1=C(C)C=CS1 HL4684 [0,1,0,0,1,0|1,0,0]=3 674 B10R1.149 COC(=O)C1=C(C)N=CS1 LT3018 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.149 COC(=O)C1=C(C)NC=C1 YH54008 [0,1,0,0,1,0|1,0,0]=3 676 B10R1.149 COC(=O)C1=C(N)C=CS1 LT2439 [0,1,0,0,1,0|1,0,0]=3 677 B10R1.149 COC(=O)C1=C(N)NN=C1 RT2570 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.149 COC(=O)C1=C(O)C=CS1 LQ2774 [0,1,0,0,1,0|1,0,0]=3 679 B10R1.149 COC(=O)C1=CSC=C1N YH59261 [0,1,0,0,1,0|1,0,0]=3 680 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,1,0,0,0,1|1,0,0]=3 681 B12R1.32 CCOC(=O)CC1=CC=NC=C1 RT14075 [0,1,0,0,0,1|1,0,0]=3 682 B12R1.32 CCOC(=O)CC1=NC=CC=C1 XJ2291 [0,1,0,0,0,1|1,0,0]=3 683 B12R1.32 CCOC(=O)NC1=CC=CC=C1 LQ0343 [0,1,0,0,0,1|0,0,0]=2 684 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 YH42419 [0,1,0,0,0,1|0,0,0]=2 685 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 LT5550 [0,1,0,0,0,1|0,0,0]=2 686 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 HL2426 [0,1,0,0,0,1|0,0,0]=2 687 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 LT6303 [0,1,0,0,0,1|0,0,0]=2 688 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 RT6453 [0,1,0,0,0,1|0,0,0]=2 689 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 YH14235 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 XJ2183 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 JZ1254 [0,1,0,0,0,1|0,0,0]=2 692 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 JZ1904 [0,1,0,0,0,1|1,0,0]=3 693 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 LQ0318 [0,1,0,0,0,1|1,0,0]=3 694 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 RT15818 [0,1,0,0,0,1|1,0,0]=3 695 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 XJ5486 [0,1,0,0,0,1|0,0,0]=2 696 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 YH05226 [0,1,0,0,0,1|0,0,0]=2 697 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 JZ4903 [0,1,0,0,0,1|0,0,0]=2 698 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 YH55824 [0,1,0,0,0,1|2,0,0]=4 699 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 HL0709 [0,1,0,0,0,1|1,0,0]=3 700 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 LL2312 [0,1,0,0,0,1|0,0,0]=2 701 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 CJ2938 [0,1,0,0,0,1|1,0,0]=3 702 B12R1.371 C=CC(=O)NC1=CC=CC=C1[Hg+] RT3262 [0,1,0,0,0,1|1,0,1]=4 703 B12R1.371 CC1=CC=CC=C1NC(=O)CCl YH66095 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 YH66211 [0,1,0,0,0,1|1,0,0]=3 705 B12R1.9 CCS(=O)(=O)C1=CC=C(Cl)C=C1 LT3073 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 LQ4642 [0,2,0,0,0,0|1,0,0]=3 707 B12R1.9 NC1=CC=C(S(=O)(=O)O[Na])C=C1 HL1939 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 RT12173 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.475 CO[Si](C)(OC)C1=CC=CC=C1 XJ2384 [0,2,0,0,0,0|0,1,1]=4 710 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 JZ0156 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 XJ0168 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 RT11080 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 XJ0996 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.16 CCOC(=N)C1=CC=C(Cl)C=C1 RT12541 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 HL3014 [0,2,0,0,0,0|0,0,0]=2 716 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 LQ3269 [0,2,0,0,0,0|0,0,0]=2 717 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 LT5203 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CJ2917 [0,2,0,0,0,0|0,0,0]=2 719 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 SY0289 [0,2,0,0,0,0|0,0,0]=2 720 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 YH48180 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 YH65801 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 LX2162 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 LX3039 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 LQ2708 [0,2,0,0,0,0|1,0,1]=4 725 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 JZ0578 [0,2,0,0,0,0|1,0,1]=4 726 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 LT4187 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 LQ0709 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.16 O=C(CCCl)C1=CC=C(O)C=C1 RT10798 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 YH47503 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.17 CCOC(=O)C1=CC(=O)NN=C1 LT5882 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 LL0469 [0,2,0,0,0,0|0,0,0]=2 732 B12R1.17 CCOC(=O)C1=CC(C)=CN=C1 HL1082 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.17 CCOC(=O)C1=CC(Cl)=CC=C1 HL0704 [0,2,0,0,0,0|0,0,0]=2 734 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 XJ0783 [0,2,0,0,0,0|0,0,0]=2 735 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 XJ0992 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 XJ3863 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 XJ3351 [0,2,0,0,0,0|0,0,0]=2 738 B12R1.17 CCOC(=O)C1=CC(O)=CN=C1 YH08900 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 YH45965 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 YH04924 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 RT2728 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.17 O=CCC(=O)C1=CC=CC(Br)=C1 RT12743 [0,2,0,0,0,0|1,0,1]=4 743 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.30 CCCNC(=O)C1=NC=CC=C1 CJ3376 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HL2226 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.30 NCCOC(=O)C1=CN=CC=C1 RT2347 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.30 O=C(CCCO)C1=CC=CN=C1 RT9397 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.30 O=C(OCCO)C1=CC=CC=C1 RT0571 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 CJ3357 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 HL0179 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HL0178 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,2,0,0,0,0|0,0,0]=2 756 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 YH08753 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.308 CCOC(=O)C1=C(Cl)N=CN=C1 YH65810 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [0,2,0,0,0,0|0,0,0]=2 760 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [0,2,0,0,0,0|0,0,0]=2 761 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 RT2194 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 JZ4908 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.308 CCOC(=O)C1=CN=CN=C1O JZ2600 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl JZ2444 [0,2,0,0,0,0|1,0,1]=4 766 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 LL0515 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 HL0707 [0,2,0,0,0,0|0,0,0]=2 769 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 JZ4668 [0,2,0,0,0,0|0,0,0]=2 770 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 LQ1892 [0,2,0,0,0,0|0,0,0]=2 771 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 LT5149 [0,2,0,0,0,0|0,0,0]=2 772 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 LT5150 [0,2,0,0,0,0|0,0,0]=2 773 B12R1.5 COC(=O)C1=CC=C(CO)C=C1 JZ3023 [0,2,0,0,0,0|0,0,0]=2 774 B12R1.5 COC(=O)C1=CC=C(OC)N=C1 JZ0753 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 YH21073 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 LQ5359 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 LT3323 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 LQ5042 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 XJ2446 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.5 N#CC(=O)C1=CC=C(C#N)C=C1 YH65885 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 LQ4188 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 LQ3474 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 YH65724 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.20 CC1=CC=C(C(=O)C(C)Cl)C=C1 YH47530 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 LQ3089 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 YH66539 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)N=C1 LL1424 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.367 COC(=O)C1=CC(Br)=C(N)N=C1 JZ1657 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 LL2255 [0,2,0,0,0,0|0,0,0]=2 790 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 LL1641 [0,2,0,0,0,0|0,0,0]=2 791 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 XJ6490 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 HL4891 [0,2,0,0,0,0|0,0,0]=2 793 B12R1.367 COC(=O)C1=CC(I)=C(Cl)C=C1 YH57244 [0,2,0,0,0,0|0,0,0]=2 794 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 XJ4161 [0,2,0,0,0,0|0,0,0]=2 795 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 RT3244 [0,2,0,0,0,0|0,0,0]=2 796 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 YH56650 [0,2,0,0,0,0|0,0,0]=2 797 B12R1.367 COC(=O)C1=CC(O)=C(F)C=C1 LL2617 [0,2,0,0,0,0|0,0,0]=2 798 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 YH11298 [0,2,0,0,0,0|0,0,0]=2 799 B12R1.367 COC(=O)C1=CC=C(Br)C(O)=C1 RT10880 [0,2,0,0,0,0|0,0,0]=2 800 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=C1 XJ6779 [0,2,0,0,0,0|0,0,0]=2 801 B12R1.367 COC(=O)C1=CC=C(C)C(N)=C1 YH65012 [0,2,0,0,0,0|0,0,0]=2 802 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 LT3014 [0,2,0,0,0,0|0,0,0]=2 803 B12R1.367 COC(=O)C1=CC=C(I)C(Br)=C1 YH65503 [0,2,0,0,0,0|0,0,0]=2 804 B12R1.367 COC(=O)C1=CC=C(N)C(C)=C1 LT3146 [0,2,0,0,0,0|0,0,0]=2 805 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 YH00863 [0,2,0,0,0,0|0,0,0]=2 806 B12R1.367 COC(=O)C1=CC=C(O)C(N)=C1 RT2941 [0,2,0,0,0,0|0,0,0]=2 807 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 LT5876 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.367 NNC(=O)C1=CC=C(O)C(N)=C1 XJ3311 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 LT1996 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 XJ0281 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.1703 CCC(=O)C1=C(O)C=C(O)C=C1 HL3011 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 YH91859 [0,2,0,0,0,0|0,0,0]=2 813 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 XJ2408 [0,2,0,0,0,0|0,0,0]=2 814 B12R1.1703 COC(=O)C1=C(C)N=C(C)C=C1 RT9229 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)N=C1 YH12488 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 CJ2192 [0,2,0,0,0,0|0,0,0]=2 817 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 LQ2726 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 HL1734 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 LQ2098 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br RT11090 [0,2,0,0,0,0|0,0,0]=2 821 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1I CJ3332 [0,2,0,0,0,0|0,0,0]=2 822 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1N YH32748 [0,2,0,0,0,0|0,0,0]=2 823 B12R1.1703 COC(=O)C1=CC=C(N)C=C1C YH14295 [0,2,0,0,0,0|0,0,0]=2 824 B12R1.1703 COC(=O)C1=CC=C(N)C=C1Cl YH02304 [0,2,0,0,0,0|0,0,0]=2 825 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O LT5969 [0,2,0,0,0,0|0,0,0]=2 826 B12R1.1703 COC(=O)C1=CN=C(Cl)N=C1Cl YH54044 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.1703 COC(=O)C1=NN=C(Cl)C=C1Cl YH65792 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.1703 N#CC(=O)C1=CC=C(Cl)C=C1Cl RT6233 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.1703 NC1=CC(Cl)=CC=C1C(=O)CCl RT1619 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.1703 NC1=CC(O)=C(C(=O)O[Na])C=C1 CJ2106 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 YH53846 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.1703 NNC(=O)C1=C(O)C=C(O)C=C1 JZ3686 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl HL3029 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 YH49339 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.1703 O=C(CBr)C1=CC=C(Cl)C=C1Cl JZ2098 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.1703 O=C(CBr)C1=CC=C(F)C=C1F HL3116 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 HL3410 [0,2,0,0,0,0|0,0,0]=2 838 B12R1.24 COC(=O)C1=C(C)C(N)=CC=C1 LX2298 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.24 COC(=O)C1=C(N)C(O)=CC=C1 YH40771 [0,2,0,0,0,0|0,0,0]=2 840 B12R1.24 COC(=O)C1=CC=CC(Br)=C1C LX2444 [0,2,0,0,0,0|0,0,0]=2 841 B12R1.24 COC(=O)C1=CC=CC(F)=C1F YH41895 [0,2,0,0,0,0|0,0,0]=2 842 B12R1.24 COC(=O)C1=CC=CC(F)=C1N YH34948 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.24 COC(=O)C1=CC=CC(F)=C1O LX2449 [0,2,0,0,0,0|0,0,0]=2 844 B12R1.24 COC(=O)C1=NC=CC(N)=C1Cl RT2200 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.24 N#CC(=O)C1=CC=CC(Cl)=C1Cl JZ0175 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.225 CC(=O)C(=O)C1=CC=CC(Cl)=C1 RT11574 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.225 CC(Br)C(=O)C1=CC(Cl)=CC=C1 RT6232 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.225 CC(O)C(=O)C1=CC=CC(Cl)=C1 RT10521 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.225 CN(C)C(=O)C1=CC(O)=CC=C1 RT1543 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.225 C[C@@H](O)C(=O)C1=CC=CC(Cl)=C1 RT10950 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.225 C[C@H](O)C(=O)C1=CC=CC(Cl)=C1 RT10949 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.354 CCC(=O)C1=CC(O)=CC=C1N LT5986 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.354 CCC(=O)C1=CC(O)=CC=C1O JZ4313 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 XJ6405 [0,2,0,0,0,0|0,0,0]=2 855 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 LX2236 [0,2,0,0,0,0|0,0,0]=2 856 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=C1 JZ2131 [0,2,0,0,0,0|0,0,0]=2 857 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 YH65487 [0,2,0,0,0,0|0,0,0]=2 858 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 XJ0648 [0,2,0,0,0,0|0,0,0]=2 859 B12R1.354 COC(=O)C1=C(O)C=CC(I)=C1 XJ2587 [0,2,0,0,0,0|0,0,0]=2 860 B12R1.354 COC(=O)C1=CC(Br)=CC=C1Br XJ5823 [0,2,0,0,0,0|0,0,0]=2 861 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Cl LL1425 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.354 COC(=O)C1=CC(C)=CC=C1N RT6120 [0,2,0,0,0,0|0,0,0]=2 863 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1N LT1648 [0,2,0,0,0,0|0,0,0]=2 864 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1N YH04130 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1Br YH65593 [0,2,0,0,0,0|1,0,0]=3 866 B12R1.354 COC(=O)C1=CC(I)=CC=C1N HL4610 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.354 COC(=O)C1=CC(N)=CC=C1N SY0056 [0,2,0,0,0,0|0,0,0]=2 868 B12R1.354 COC(=O)C1=CC(N)=CC=C1O YH01219 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.354 COC(=O)C1=CC(O)=CC=C1C YH65572 [0,2,0,0,0,0|0,0,0]=2 870 B12R1.354 COC(=O)C1=NC(Br)=CN=C1Br YH32057 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1C YH91875 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.354 COC(=O)C1=NC(Cl)=CN=C1N YH35177 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.354 O=C(CCl)C1=C(F)C=CC(F)=C1 XJ5903 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.354 O=C(CCl)C1=CC(F)=CC=C1O RT6136 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 YH01124 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.358 COC(=O)C1=CC(F)=CC(F)=C1 LL2639 [0,2,0,0,0,0|0,0,0]=2 877 B12R1.358 COC(=O)C1=CC(N)=CC(N)=C1 JZ1807 [0,2,0,0,0,0|0,0,0]=2 878 B12R1.358 COC(=O)C1=CC(O)=CC(Br)=C1 LL2508 [0,2,0,0,0,0|0,0,0]=2 879 B12R1.358 COC(=O)C1=CC(O)=CC(O)=C1 CJ2838 [0,2,0,0,0,0|0,0,0]=2 880 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 XJ5997 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.358 NNC(=O)C1=CC(O)=CC(O)=C1 JZ3191 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.435 C#CC1=CC(C(=O)OC)=CC=C1 YH23239 [0,2,0,0,0,0|0,0,0]=2 883 B12R1.435 COC(=O)C1=CC(C#N)=CN=C1 YH23495 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.435 COC(=O)C1=CC=CC(CBr)=N1 HL3536 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 JZ5219 [0,2,0,0,0,0|0,0,0]=2 886 B12R1.435 COC(=O)C1=CC=CC(CO)=N1 YH59259 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 RT9391 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.435 N#CC1=CC=CC(C(=O)CBr)=C1 RT12567 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 YH50289 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 LT1748 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)F LL0814 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 LX2827 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.77 COC(=O)C1=CC=CC=C1C=O XJ2640 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.77 COC(=O)C1=CC=CC=C1CBr JZ2022 [0,2,0,0,0,0|0,0,0]=2 895 B12R1.77 COC(=O)C1=NC=CC=C1C=O LL2134 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.77 COC1=CC=CC=C1C(=O)CBr LT0285 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.77 COC1=CC=CC=C1C(=O)NN XJ3327 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.3441 COC(=O)C1=C(F)C=CC=C1F JZ4801 [0,2,0,0,0,0|0,0,0]=2 899 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O LQ2097 [0,2,0,0,0,0|0,0,0]=2 900 B10R1.20 C(=O)C1=C(OC)C=CC=C1 RT17703 [0,0,1,1,0,0|2,0,0]=4 901 B10R1.172 C(=O)C1=CC=CC(OC)=N1 YH06246 [0,0,1,1,0,0|2,0,0]=4 902 B10R1.172 COC1=CC=CC(C=O)=C1 HL0099 [0,0,1,1,0,0|2,0,0]=4 903 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|1,0,1]=4 904 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|0,0,2]=4 905 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|0,0,2]=4 906 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|0,0,0]=2 907 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|1,0,1]=4 908 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|1,0,1]=4 909 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,1,0,0|2,0,0]=4 910 B10R2.7 C1=CC2=C(C=C1)SC=C2 LT0724 [1,0,0,1,0,0|2,0,0]=4 911 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|1,0,0]=3 912 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,1,0,0|2,0,0]=4 913 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,1,0,0|2,0,0]=4 914 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|2,0,0]=4 915 B10R2.7 C1=CC=C2SC=CC2=C1 JZ3503 [1,0,0,1,0,0|2,0,0]=4 916 B12R2.18 CC1=C2C=COC=C2OC1=O RT14174 [0,0,0,1,0,1|2,0,0]=4 917 B12R2.18 CC1=NC2=CC=CC=C2C1C LT0091 [0,0,0,1,0,1|2,0,0]=4 918 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 RT9295 [0,0,0,1,0,1|2,0,0]=4 919 B12R2.18 CC1C(=O)NC2=C1C=CC=N2 RT15552 [0,0,0,1,0,1|2,0,0]=4 920 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [0,0,0,1,0,1|1,0,0]=3 921 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [0,0,0,1,0,1|1,0,0]=3 922 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [0,0,0,1,0,1|2,0,0]=4 923 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [0,0,0,1,0,1|1,0,1]=4 924 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [0,0,0,1,0,1|1,0,1]=4 925 B12R2.24 O=C1C=NC2=CC=CC=C2N1 LT2094 [0,0,0,1,0,1|2,0,0]=4 926 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [0,0,0,1,0,1|2,0,0]=4 927 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [0,0,0,1,0,1|2,0,0]=4 928 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [0,0,0,1,0,1|2,0,0]=4 929 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [0,0,0,1,0,1|1,0,1]=4 930 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [0,0,0,1,0,1|2,0,0]=4 931 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 LQ2500 [0,0,0,1,0,1|2,0,0]=4 932 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 YH42114 [0,0,0,1,0,1|2,0,0]=4 933 B12R2.1 O=CC1=CNC2=C1C=CC=C2 LT2996 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.1 O=CC1=CSC2=CC=CC=C12 YH05980 [0,1,0,1,0,0|2,0,0]=4 935 B12R2.1 O=CC1=NNC2=CC=CC=C21 LQ2784 [0,1,0,1,0,0|2,0,0]=4 936 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 YH39555 [0,1,0,1,0,0|1,0,1]=4 937 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 YH45253 [0,1,0,1,0,0|1,0,1]=4 938 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [0,1,0,1,0,0|1,0,1]=4 939 B12R2.2 C1=CN=CC(C2=NCCO2)=C1 RT2485 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 LT4054 [0,1,0,1,0,0|1,0,1]=4 941 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,1,0,1,0,0|1,0,0]=3 942 B12R2.1081 O=C1CCCC2=CC=CN=C12 LX2062 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.1081 O=C1CCCC2=CC=NC=C12 YH46803 [0,1,0,1,0,0|2,0,0]=4 944 B12R2.1081 O=C1CCCC2=CN=CC=C12 YH46802 [0,1,0,1,0,0|2,0,0]=4 945 B12R2.1081 O=C1CCCC2=NC=CC=C12 YH05749 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [0,1,0,1,0,0|1,0,0]=3 947 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,1,0,1,0,0|1,0,0]=3 948 B12R2.1081 O=C1NN=NC2=CC=CC=C12 XJ0164 [0,1,0,1,0,0|2,0,0]=4 949 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,1,0,1,0,0|0,0,0]=2 950 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [0,1,0,1,0,0|2,0,0]=4 951 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 JZ1733 [0,1,0,1,0,0|1,0,1]=4 952 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 LQ0154 [0,1,0,1,0,0|0,0,1]=3 953 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 LQ2689 [0,1,0,1,0,0|1,0,1]=4 954 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 XJ5075 [0,1,0,1,0,0|0,0,1]=3 955 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 LT0095 [0,1,0,1,0,0|1,0,1]=4 956 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [0,1,0,1,0,0|0,0,0]=2 957 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [0,1,0,1,0,0|0,0,0]=2 958 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 YH23871 [0,1,0,1,0,0|1,0,1]=4 959 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 LQ2435 [0,1,0,1,0,0|1,0,0]=3 960 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,1,0,1,0,0|1,0,0]=3 961 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 LQ2490 [0,1,0,1,0,0|1,0,0]=3 962 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 LQ2487 [0,1,0,1,0,0|1,0,0]=3 963 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 XJ5153 [0,1,0,1,0,0|1,0,0]=3 964 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 YH01019 [0,1,0,1,0,0|1,0,0]=3 965 B12R2.612 O=C1CCC2=CC(F)=CC=C12 JZ4104 [0,1,0,1,0,0|1,0,0]=3 966 B12R2.612 O=C1COC2=CC(Br)=CC=C12 YH44457 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 XJ2407 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.612 O=C1NCC2=NC(Cl)=CC=C12 YH66320 [0,1,0,1,0,0|2,0,0]=4 969 B12R2.612 O=C1NSC2=CC(F)=CC=C12 HL3634 [0,1,0,1,0,0|2,0,0]=4 970 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 LQ4410 [0,1,0,1,0,0|1,0,0]=3 971 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 LQ3761 [0,1,0,1,0,0|1,0,0]=3 972 B12R2.132 O=C1CCC2=CC=C(F)C=C12 HL0875 [0,1,0,1,0,0|1,0,0]=3 973 B12R2.132 O=C1CCC2=CC=C(O)C=C12 XJ5989 [0,1,0,1,0,0|1,0,0]=3 974 B12R2.132 O=C1NCC2=C1C=C(S)C=C2 YH65675 [0,1,0,1,0,0|1,0,0]=3 975 B12R2.132 O=C1NSC2=C1C=C(Cl)C=C2 RT15601 [0,1,0,1,0,0|2,0,0]=4 976 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 XJ4519 [0,1,0,1,0,0|0,0,0]=2 977 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 LQ4415 [0,1,0,1,0,0|1,0,0]=3 978 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CJ2785 [0,1,0,1,0,0|1,0,0]=3 979 B12R2.196 O=C1CCC2=C1C=CC=C2Cl XJ4153 [0,1,0,1,0,0|1,0,0]=3 980 B12R2.196 O=C1CCC2=C1C=CC=C2O LQ5074 [0,1,0,1,0,0|1,0,0]=3 981 B12R2.196 O=C1NCC2=C1C=CC=C2Br YH55335 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 YH21568 [0,1,0,1,0,0|0,0,0]=2 983 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 LX2203 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29451 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29819 [0,1,0,1,0,0|1,0,0]=3 986 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 YH56099 [0,1,0,1,0,0|1,0,0]=3 987 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 YH66130 [0,1,0,1,0,0|1,0,0]=3 988 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 XJ3186 [0,1,0,1,0,0|1,0,0]=3 989 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,0,0,0,1,0|1,0,0]=3 990 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [1,0,0,0,1,0|1,0,0]=3 991 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [1,0,0,0,1,0|2,0,0]=4 992 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [1,0,0,0,1,0|1,0,0]=3 993 B8R1.7 CC(=O)N1C=CN=C1 YH49188 [1,0,0,0,1,0|2,0,0]=4 994 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [1,0,0,0,1,0|2,0,0]=4 995 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [1,0,0,0,1,0|2,0,0]=4 996 B8R1.7 O=C(Cl)C1=COC=C1 YH50424 [1,0,0,0,1,0|2,0,0]=4 997 B8R1.7 O=C(Cl)C1=CSC=C1 YH00609 [1,0,0,0,1,0|2,0,0]=4 998 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [1,0,0,0,1,0|1,0,0]=3 999 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [1,0,0,0,1,0|1,0,0]=3 1000 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [1,0,0,0,1,0|1,0,0]=3 1001 B8R1.7 O=C(O)C1=CC=NS1 YH21736 [1,0,0,0,1,0|2,0,0]=4 1002 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [1,0,0,0,1,0|2,0,0]=4 1003 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [1,0,0,0,1,0|2,0,0]=4 1004 B8R1.7 O=C(O)C1=CNN=C1 RT14194 [1,0,0,0,1,0|2,0,0]=4 1005 B8R1.7 O=C(O)C1=COC=N1 LQ4340 [1,0,0,0,1,0|2,0,0]=4 1006 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [1,0,0,0,1,0|1,0,0]=3 1007 B8R1.7 O=C(O)C1=NC=CS1 JZ4900 [1,0,0,0,1,0|2,0,0]=4 1008 B8R1.7 O=C(O)C1=NNC=C1 XJ1870 [1,0,0,0,1,0|2,0,0]=4 1009 B8R1.7 O=C(O)C1=NOC=C1 JZ2260 [1,0,0,0,1,0|2,0,0]=4 1010 B8R1.7 O=C(O)C1C=CC=C1 LT5432 [1,0,0,0,1,0|0,0,1]=3 1011 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 JZ3727 [0,0,0,0,0,2|1,0,1]=4 1012 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HL2281 [0,0,0,0,0,2|1,0,1]=4 1013 B12R1.27 CCC(=O)OCC1=CC=CC=C1 LT4168 [0,0,0,0,0,2|1,0,0]=3 1014 B12R1.27 COC(=O)CCC1=CC=CN=C1 XJ6488 [0,0,0,0,0,2|1,0,0]=3 1015 B12R1.27 COC(=O)OCC1=CC=CC=C1 RT11038 [0,0,0,0,0,2|0,0,0]=2 1016 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 YH47556 [0,0,0,0,0,2|2,0,0]=4 1017 B12R1.27 NCC(=O)OCC1=CC=CC=C1 JZ4757 [0,0,0,0,0,2|2,0,0]=4 1018 B12R1.27 NCC(=O)OCC1=CC=CC=C1 RT5531 [0,0,0,0,0,2|2,0,0]=4 1019 B12R1.27 O=C(C#CC1=CC=CC=C1)CCl RT12399 [0,0,0,0,0,2|2,0,0]=4 1020 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 YH49901 [0,0,0,0,0,2|2,0,0]=4 1021 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 XJ0546 [0,0,0,0,0,2|2,0,0]=4 1022 B12R1.27 O=C(CO)OCC1=CC=CC=C1 RT12484 [0,0,0,0,0,2|2,0,0]=4 1023 B12R1.27 O=C(COC1=CC=CC=C1)O[Na] JZ0339 [0,0,0,0,0,2|1,0,0]=3