0 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 LX2618 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 RT15363 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 LX2619 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CJ2939 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 CC(C)C1=CC=CC(N)=N1 YH18705 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.113 CC(C)C1=NC(Cl)=CC=C1 YH27840 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.113 CC1=CC(B(O)O)=CC=N1 YH65557 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.113 CC1=CC(C(N)=S)=CC=N1 RT8267 [0,0,0,0,0,0|2,1,0]=3 14 B10R1.113 CC1=CC(N(C)C)=CC=C1 LL0511 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.113 CC1=CC=CC(B(O)O)=N1 YH57646 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.113 CC1=CC=CC(C(=O)O)=C1 XJ0266 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 CC1=CC=CC(C(=O)O)=N1 JZ4291 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 YH41920 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.113 CC1=CN=CC(C(=O)O)=C1 LT6022 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.113 CC1=NC(C(=O)O)=CC=N1 JZ4788 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.113 CC1=NC=CC(N(=O)=O)=C1 LQ3643 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 YH65966 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 XJ3010 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 RT4413 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.113 C[NH+]1C=CC=C(C(N)=O)C1 RT4410 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.113 NC(=O)C1=CC(F)=CC=C1 HL1806 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 LQ1218 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.113 NC1=CC=CC(C(=O)O)=N1 JZ5606 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.113 NC1=NC=CC(C(=O)O)=C1 YH32218 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 JZ4695 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 LQ1216 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 LT3937 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 YH50522 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 LT3027 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.113 O=C(Cl)C1=CC(I)=CC=C1 JZ4696 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 JZ0792 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 LT3007 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 LT6515 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.113 O=C(O)C1=CC(F)=CC=C1 JZ1086 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.113 O=C(O)C1=CC(I)=CC=C1 LQ1220 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.113 O=C(O)C1=CC(O)=CC=C1 RT13217 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.113 O=C(O)C1=CC(S)=NC=C1 YH42361 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 LT2935 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 JZ4304 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 LQ2733 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.113 O=C(O)C1=CC=CC(F)=N1 LQ0787 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 JZ0754 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 YH48486 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 YH35927 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.113 O=C(O)C1=NC(O)=CC=C1 JZ0755 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 YH57583 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY0110 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.113 O=[N+]([O-])C1=CC(F)=NC=C1 YH42355 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.113 O=[N+]([O-])C1=CC(O)=NC=C1 XJ2743 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.113 O=[N+]([O-])C1=CC=NC(Cl)=C1 JZ1018 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.2 C=CC1=CC=CC(C)=C1 LQ4468 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.2 C=CC1=CC=CC(C)=N1 CJ2757 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.2 CC1=CC(C=O)=CC=C1 JZ3952 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.2 CC1=CC=CC(C#N)=N1 XJ1866 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.2 CC1=CC=CC(C=O)=N1 HL0653 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.2 CC1=CC=CC(CO)=N1 HL0652 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.2 CC1=NC(C=O)=CC=N1 HL0584 [1,0,0,0,0,0|0,0,0]=1 63 B9R1.2 CC1=NC(CO)=CC=N1 YH65643 [1,0,0,0,0,0|0,0,2]=3 64 B9R1.2 CC1=NC=CC(CCl)=C1 RT9279 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.2 CC1=NC=CC(CN)=C1 RT9263 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.2 CCC1=CC(C)=CC=C1 JZ3949 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.2 CCC1=CC(Cl)=NC=C1 LT3331 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.2 CCC1=CC=NC(Br)=C1 LT3312 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.2 CCC1=CC=NC(N)=C1 LT3293 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.2 CNC1=CC=CC(C)=C1 LQ1364 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 COC1=CC(N)=NC=C1 XJ3562 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 COC1=CC=CC(Br)=N1 LQ5038 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 COC1=CC=CC(N)=N1 YH41174 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 COC1=CC=CC(O)=N1 YH47507 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.2 COC1=CC=NC(Cl)=C1 XJ4369 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.2 COC1=NC(C)=CC=C1 LT1773 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.2 COC1=NC(C)=CN=C1 LT2164 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.2 COC1=NC(N)=NC=C1 LQ0640 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.2 COC1=NC=NC(N)=N1 HL0654 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.2 CSC1=CC=NC(Cl)=N1 YH03519 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.2 CSC1=NC(C)=CN=C1 LT2313 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.2 NNC1=NC(O)=NC=C1 XJ2459 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.2 O=CC1=CC(Br)=NC=C1 LL1981 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.2 O=CC1=CC(Cl)=CC=C1 XJ1050 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.2 O=CC1=CC(F)=CC=C1 LT6791 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.2 O=CC1=CC(O)=NC=C1 YH65488 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.2 O=CC1=CC=CC(Br)=C1 LQ2404 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.2 O=CC1=CC=CC(Cl)=N1 YH06167 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.2 O=CC1=CC=CC(O)=C1 JZ0346 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.2 O=CC1=CC=NC(Cl)=C1 LX3013 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.2 O=CC1=CC=NC(F)=C1 HL3440 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.6 CC(=O)C1=NC=CC=N1 YH05694 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.6 CN(C)C1=CC=NC=C1 LT3039 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [1,0,0,0,0,0|1,0,2]=4 101 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.6 N=C(N)C1=CC=NC=C1 JZ2903 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.6 N=C(N)C1=CC=NC=C1 YH55019 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.6 O=C(Cl)C1=CN=CC=N1 YH43954 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.6 O=C(Cl)C1=NC=CC=C1 LT5112 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.6 O=C(O)C1=CN=NC=C1 XJ5546 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.6 O=C(O)C1=NC=CC=N1 YH53937 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.6 O=C(O)C1=NC=NC=C1 LQ4720 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.6 O=C([O-])C1=NC=CC=C1 JZ5244 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.6 O=C([O-])C1=NC=CC=C1 LQ3798 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.21 CC(=O)C1=CC(Br)=C(Br)C=C1 LX3134 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 YH06604 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 HL0596 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 JZ2152 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 XJ0695 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 LQ0788 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 LX2782 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 JZ4491 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.21 CC(=O)C1=CC=C(Br)C(F)=C1 LX2244 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 LL0209 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.21 CC(=O)C1=CC=C(Cl)C(Cl)=C1 JZ2110 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 LQ1233 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 YH66048 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 LQ0789 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 LT2618 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.21 CC1=CC(C(=O)Cl)=CC=C1Br LQ4321 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 YH65444 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 LQ3566 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 LQ5409 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 YH24417 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.23 COC(=O)C1=CC(F)=NC=C1 HL1809 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.23 COC(=O)C1=CC(O)=CC=C1 XJ4508 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.23 COC(=O)C1=CC=CC(C)=C1 XJ0280 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.23 COC(=O)C1=CC=CC(N)=C1 HL2757 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.23 COC(=O)C1=CC=NC(N)=C1 RT4204 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 YH50429 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 LX2859 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.23 COC(=O)C1=NC(F)=CC=C1 HL1810 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.23 O=C(CCl)C1=CC=CC(Cl)=C1 LQ4318 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 YH34723 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 LT1858 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 LT6620 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 LX2350 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 LT2527 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 XJ0834 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 YH08537 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 HL2924 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 YH93372 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 XJ0270 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 LX2156 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 YH38536 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.155 CC1=NC(C(F)(F)F)=CC=N1 YH90154 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 LL2344 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 XJ4433 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 LL1297 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 LT6157 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.159 CC(=O)C1=CC=CC(C)=C1N YH05913 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.159 CC(=O)C1=CC=CC(C)=C1O YH14631 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1Cl LQ5361 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1F LL2343 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O RT6217 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 LT5949 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 LX3202 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 JZ0027 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C JZ5449 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br SY0004 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.159 CC1=CC=CC(C(=O)O)=C1F YH53947 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.159 CC1=NC=CC([N+](=O)[O-])=C1C YH13942 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 YH65894 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 XJ0758 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 XJ1781 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 LT3535 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.167 CC(=O)C1=CC(C)=CC=C1O XJ1779 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Cl HL2255 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1N YH39071 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.167 CC(=O)C1=CC(F)=CC=C1Cl JZ2207 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.167 CC(=O)C1=CC(F)=CC=C1I LX2394 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.167 CC(=O)C1=CC(O)=CC=C1O LL0869 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 XJ3183 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 XJ0662 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 YH05261 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=C1 LQ3105 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O RT8677 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.167 CC1=CC=C(N)C(C(N)=O)=C1 YH00062 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=N1 LT6803 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 YH65612 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.167 NC1=C(C(=O)O)C=C(Cl)N=C1 LX3311 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O YH90773 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 LQ1933 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl LT4622 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 YH00769 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.266 CCC1=CC(C(N)=O)=CC=N1 RT3109 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.266 COC1=CC(C(=O)O)=CC=C1 LT2613 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.266 COC1=CC=CC(C(C)=O)=C1 YH08564 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.266 COC1=CC=CC(C(C)C)=N1 YH66698 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.266 COC1=NC=CC(C(=O)O)=C1 XJ6812 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 JZ4197 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 JZ1981 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 LT2487 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 XJ3151 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 LT2902 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 YH51784 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.266 O=C(O)C1=CC=CC(CO)=N1 JZ4492 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [0,0,0,0,1,0|2,0,0]=3 222 B9R1.35 CC(=O)C1=CC(Cl)=CS1 XJ5172 [0,0,0,0,1,0|3,0,0]=4 223 B9R1.35 CC(=O)C1=CC=C(Br)S1 XJ2893 [0,0,0,0,1,0|2,0,0]=3 224 B9R1.35 CC(=O)C1=CC=C(C)O1 JZ1181 [0,0,0,0,1,0|1,0,0]=2 225 B9R1.35 CC(=O)C1=CC=C(Cl)S1 LQ1289 [0,0,0,0,1,0|2,0,0]=3 226 B9R1.35 CC(=O)C1=CN(C)C=C1 JZ4275 [0,0,0,0,1,0|2,0,0]=3 227 B9R1.35 CC1=CC=C(C(=O)Cl)S1 LT0712 [0,0,0,0,1,0|2,0,0]=3 228 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [0,0,0,0,1,0|2,0,0]=3 229 B9R1.35 CC1=CN=C(C(=O)O)O1 YH02221 [0,0,0,0,1,0|3,0,0]=4 230 B9R1.35 CC1=CN=C(C(=O)O)S1 CJ2740 [0,0,0,0,1,0|3,0,0]=4 231 B9R1.35 CC1=CNC(C(=O)O)=C1 YH42507 [0,0,0,0,1,0|3,0,0]=4 232 B9R1.35 CC1=COC(C(=O)O)=N1 RT15003 [0,0,0,0,1,0|2,0,0]=3 233 B9R1.35 CC1=CSC(C(=O)O)=C1 XJ4050 [0,0,0,0,1,0|3,0,0]=4 234 B9R1.35 CC1=CSC(C(=O)O)=N1 YH35093 [0,0,0,0,1,0|2,0,0]=3 235 B9R1.35 CC1=NC(C(=O)O)=CN1 RT14528 [0,0,0,0,1,0|1,0,1]=3 236 B9R1.35 CC1=NC(C(=O)O)=CO1 RT14087 [0,0,0,0,1,0|2,0,0]=3 237 B9R1.35 CC1=NC=C(C(=O)O)S1 YH59279 [0,0,0,0,1,0|2,0,0]=3 238 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 LQ1360 [0,0,0,0,1,0|2,0,1]=4 239 B9R1.35 CC1=NNC(C(=O)O)=C1 YH14439 [0,0,0,0,1,0|3,0,0]=4 240 B9R1.35 CC1=NOC(C(=O)O)=C1 LX2905 [0,0,0,0,1,0|3,0,0]=4 241 B9R1.35 CN1C=NC(C(=O)O)=N1 YH19919 [0,0,0,0,1,0|3,0,0]=4 242 B9R1.35 NC1=NC(C(=O)O)=CS1 LT2287 [0,0,0,0,1,0|3,0,0]=4 243 B9R1.35 O=C(O)C1=CC=C(Br)S1 JZ0392 [0,0,0,0,1,0|3,0,0]=4 244 B9R1.35 O=C(O)C1=CC=C(Cl)S1 XJ4788 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.35 O=C(O)C1=COC(F)=N1 RT15298 [0,0,0,0,1,0|3,0,0]=4 246 B9R1.35 O=C(O)C1=CSC(Br)=N1 JZ0401 [0,0,0,0,1,0|3,0,0]=4 247 B9R1.35 O=C(O)C1=NC(Br)=CO1 RT15489 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.41 CC(=O)C1=C(C)C=CS1 JZ4814 [0,0,0,0,1,0|2,0,0]=3 249 B9R1.41 CC(=O)C1=CC=CN1C JZ0998 [0,0,0,0,1,0|2,0,0]=3 250 B9R1.41 CC1=C(C(=O)Cl)C=CO1 JZ2760 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.41 CC1=C(C(=O)Cl)C=NO1 LT3452 [0,0,0,0,1,0|3,0,0]=4 252 B9R1.41 CC1=C(C(=O)Cl)SC=N1 YH06262 [0,0,0,0,1,0|2,0,0]=3 253 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [0,0,0,0,1,0|2,0,0]=3 254 B9R1.41 CC1=C(C(=O)O)C=NO1 LQ5080 [0,0,0,0,1,0|3,0,0]=4 255 B9R1.41 CC1=C(C(=O)O)N=CO1 YH22337 [0,0,0,0,1,0|3,0,0]=4 256 B9R1.41 CC1=C(C(=O)O)N=CS1 YH65662 [0,0,0,0,1,0|3,0,0]=4 257 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [0,0,0,0,1,0|3,0,0]=4 258 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [0,0,0,0,1,0|3,0,0]=4 259 B9R1.41 CC1=C(C(=O)O)OC=N1 RT15059 [0,0,0,0,1,0|2,0,0]=3 260 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [0,0,0,0,1,0|3,0,0]=4 261 B9R1.41 CC1=C(C(=O)O)SC=N1 JZ5396 [0,0,0,0,1,0|2,0,0]=3 262 B9R1.41 CC1=CNC=C1C(=O)O RT10098 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.41 CC1=NNC=C1[N+](=O)[O-] XJ2844 [0,0,0,0,1,0|3,0,0]=4 264 B9R1.41 CN1N=CC=C1C(=O)O YH37728 [0,0,0,0,1,0|2,0,0]=3 265 B9R1.41 NC(=O)C1=C(N)N=CN1 LX3324 [0,0,0,0,1,0|3,0,0]=4 266 B9R1.41 NC(=O)C1=CNN=C1N RT2053 [0,0,0,0,1,0|3,0,0]=4 267 B9R1.41 NC1=C(C(=O)[O-])C=CS1 LT0567 [0,0,0,0,1,0|3,0,0]=4 268 B9R1.41 NC1=NNC=C1C(=O)O YH00680 [0,0,0,0,1,0|3,0,0]=4 269 B9R1.41 O=C(O)C1=C(F)SC=C1 CJ3042 [0,0,0,0,1,0|3,0,0]=4 270 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 LQ4107 [0,0,0,0,0,1|2,0,0]=3 271 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 LL0985 [0,0,0,0,0,1|2,0,0]=3 272 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 HL0043 [0,0,0,0,0,1|3,0,0]=4 273 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 LQ0740 [0,0,0,0,0,1|3,0,0]=4 274 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 LT7371 [0,0,0,0,0,1|1,0,1]=3 275 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 JZ3970 [0,0,0,0,0,1|3,0,0]=4 276 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 RT1647 [0,0,0,0,0,1|2,0,0]=3 277 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 HL4831 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,1]=4 279 B8R1.2 CNC1=CC=NC=C1 LT6892 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 COC1=NC=CC=C1 LT2109 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 CSC1=NC=CC=C1 LT2167 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 O=CC1=CC=CC=N1 JZ0732 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 O=CC1=NC=CC=N1 YH51306 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 O=CC1=NC=CN=C1 HL3002 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 O=CC1=NC=NC=C1 YH48930 [2,0,0,0,0,0|0,0,0]=2 286 B8R1.2 O=CC1=NN=CC=C1 XJ5876 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 OCC1=NC=NC=C1 YH55246 [2,0,0,0,0,0|0,0,2]=4 288 B8R1.4 BrC1=CC=NC(Br)=N1 LQ2525 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.4 CC1=CC(Br)=NC=C1 JZ0770 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.4 CC1=CC(C)=NC=C1 LT0137 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.4 CC1=CC(F)=NC=C1 HL1857 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.4 CC1=CC(I)=NC=C1 XJ4661 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.4 CC1=CC(N)=NC=C1 LT2288 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.4 CC1=CC(N)=NC=C1 LT3916 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.4 CC1=CC(S)=NC=C1 YH41922 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.4 CC1=CC=CC(Br)=N1 LT3715 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.4 CC1=CC=CC(C)=N1 LT0202 [2,0,0,0,0,0|1,0,0]=3 298 B8R1.4 CC1=CC=CC(Cl)=N1 LT3934 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.4 CC1=CC=CC(F)=N1 LQ0822 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.4 CC1=CC=CC(O)=N1 XJ2432 [2,0,0,0,0,0|1,0,1]=4 301 B8R1.4 CC1=CC=NC(Br)=N1 YH31425 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.4 CC1=CN=CC(C)=N1 JZ0990 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.4 CC1=NC(Cl)=CC=C1 LT3343 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.4 CC1=NC(Cl)=NC=C1 LT5821 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.4 CC1=NC(N)=CC=C1 JZ0765 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.4 CC1=NC(O)=NC=C1 XJ2871 [2,0,0,0,0,0|1,0,0]=3 307 B8R1.4 CC1=NC=CC(Br)=C1 XJ4664 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.4 CC1=NC=CC(Br)=N1 YH24893 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.4 CC1=NC=CC(Cl)=C1 XJ2546 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.4 CC1=NC=CC(Cl)=C1 XJ5470 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.4 CC1=NC=CC(N)=C1 LT3948 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.4 CC1=NC=CC(N)=C1 LT5935 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.4 CC1=NC=CC(O)=C1 LX2783 [2,0,0,0,0,0|1,0,1]=4 314 B8R1.4 ClC1=NC(Cl)=NC=C1 RT7782 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.4 NC1=CC=NC(Cl)=N1 XJ3320 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.4 NC1=NC(=O)NC=N1 RT16177 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.4 NC1=NC(Cl)=CC=N1 LT6009 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.4 NC1=NC(N)=NC=C1 LQ0649 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.4 NC1=NC(O)=CC=N1 JZ1002 [2,0,0,0,0,0|1,0,1]=4 320 B8R1.4 NC1=NC=CC(O)=N1 LT0242 [2,0,0,0,0,0|1,0,1]=4 321 B10R1.2 C(=O)C1=C(F)C(Cl)=NC=C1 LT3327 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.2 C(=O)C1=C(O)C(C)=CC=C1 JZ0971 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.2 C(=O)C1=CC=CC(C)=C1C HL2997 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.8 C=CC1=CC(Cl)=NC(Cl)=N1 RT15345 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.8 CC1=CC(Br)=CC(C=O)=C1 YH42744 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.8 CC1=CC(C)=CC(C=O)=C1 HL2999 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.8 CC1=NC(Cl)=CC(C=O)=N1 YH66446 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.8 CCC1=CC(N)=NC(N)=N1 LL2932 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.8 CCC1=CC(O)=NC(S)=N1 LT3969 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.8 COC1=CC(C)=NC(N)=N1 JZ3201 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.8 COC1=CC(Cl)=NC(N)=N1 LT2171 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.8 COC1=CC(N)=NC(N)=N1 XJ2421 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.8 COC1=CC(O)=NC(O)=N1 LT5898 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.8 COC1=NC(Cl)=NC(C)=C1 YH47599 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 LX2805 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.10 CC1=CC(NC=O)=CC=C1 HL2478 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.30 CC1=CC=C(Br)C(C=O)=C1 YH94345 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.30 CCC1=NC(C)=CC=C1O RT9719 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.30 COC1=NC(C)=CC=C1F CJ2127 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.30 COC1=NC(C)=CC=C1N YH42396 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.172 C(=O)C1=CC=CC(OC)=N1 YH06246 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.172 COC1=CC=CC(C=O)=C1 HL0099 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.172 COC1=CC=CC(OC)=N1 LT0197 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.172 COC1=CC=NC(OC)=N1 JZ2329 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.172 COC1=NC=CC(C=O)=C1 YH15897 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.172 NCC1=NC=CC(C=O)=C1 HL4828 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.172 O=CC1=CC=CC(C=O)=N1 YH06315 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.176 C(=O)C1=CC(C)=C(O)C=C1 XJ4175 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.176 COC1=CC=C(N)C(C)=N1 YH54205 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.176 COC1=NC(C)=C(Br)C=C1 LQ5497 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.176 COC1=NC(C)=C(F)C=C1 LX2168 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.13 NC(=O)C1=NC=C(N)C=C1 YH35056 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.15 COC(=N)C1=NC=CC=C1 RT4090 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.15 COC(=O)C1=NC=CC=N1 YH55623 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.15 O=C(CBr)C1=NC=CN=C1 RT9592 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.61 CC(=O)C1=NC=CC=C1F YH65591 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.61 CC(=O)C1=NC=CN=C1C XJ4743 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.61 CC1=C(C(=O)O)C=CN=C1 RT9406 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.61 CC1=CC=CN=C1C(=O)O LT5691 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.61 NC(=O)C1=NC=CC=C1N XJ5526 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.61 NC1=C(C(=O)O)C=CN=C1 YH17177 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.61 NC1=CC=CN=C1C(=O)O HL0849 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.61 O=C(O)C1=C(F)C=NC=C1 HL1748 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.61 O=C(O)C1=NC=CC=C1Br RT15189 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.61 O=C(O)C1=NC=CC=C1Cl XJ5804 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.61 O=C(O)C1=NC=CC=C1F YH36326 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.61 O=C(O)C1=NC=CC=C1O XJ1437 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.61 O=C(O)C1=NC=CC=C1S RT16346 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.61 O=C([O-])C1=NC=CC=C1Br RT16520 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.14 CC1=NOC(C(=O)CBr)=C1 YH22762 [0,1,0,0,1,0|2,0,0]=4 398 B10R1.14 COC(=O)C1=CC=C(N)S1 YH35219 [0,1,0,0,1,0|2,0,0]=4 399 B10R1.14 COC(=O)C1=CN=C(N)S1 LX2982 [0,1,0,0,1,0|2,0,0]=4 400 B10R1.14 COC(=O)C1=CSC(Br)=N1 YH39369 [0,1,0,0,1,0|2,0,0]=4 401 B10R1.14 COC(=O)C1=CSC(Cl)=N1 YH00700 [0,1,0,0,1,0|2,0,0]=4 402 B10R1.14 COC(=O)C1=CSC(N)=N1 RT15694 [0,1,0,0,1,0|2,0,0]=4 403 B10R1.31 CCC1=CC=C(C(C)=O)O1 YH48755 [0,1,0,0,1,0|1,0,0]=3 404 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 LT0623 [0,1,0,0,1,0|2,0,0]=4 405 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 LT2352 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 LQ2189 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 HL2755 [0,1,0,0,1,0|1,0,1]=4 408 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 YH47996 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 YH88993 [0,1,0,0,1,0|2,0,0]=4 410 B10R1.194 CC(=O)C1=CN=C(C)N1C YH22273 [0,1,0,0,1,0|0,0,1]=3 411 B10R1.39 CCN1C=CC=C1C(C)=O LT0221 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.149 COC(=O)C1=C(C)C=CO1 XJ3015 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.149 COC(=O)C1=C(C)C=CS1 HL4684 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.149 COC(=O)C1=C(C)N=CS1 LT3018 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.149 COC(=O)C1=C(C)NC=C1 YH54008 [0,1,0,0,1,0|0,0,1]=3 416 B10R1.192 CC(=O)C1=C(C)NC=C1C LQ2186 [0,1,0,0,1,0|0,0,1]=3 417 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 HL0709 [0,1,0,0,0,1|2,0,0]=4 418 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 CJ2938 [0,1,0,0,0,1|1,0,0]=3 419 B12R1.101 CC(=O)NC1=NC(N)=NC(Cl)=N1 RT1978 [0,1,0,0,0,1|2,0,0]=4 420 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 LQ2202 [0,1,0,0,0,1|2,0,0]=4 421 B12R1.56 CC(=O)C1=CC(CCl)=C(O)C=C1 RT11901 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 LL1051 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 LL2255 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 LL1641 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.367 COC(=O)C1=CC=C(N)C(C)=C1 LT3146 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 YH00863 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 LL0469 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 XJ3863 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 YH45965 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 HL3410 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.354 COC(=O)C1=CC(C)=CC=C1N RT6120 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1Br YH65593 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1C YH91875 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 YH01124 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.435 CCC1=NC=CC(C(N)=S=O)=C1 RT17301 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.435 COC(=O)C1=CC=CC(CBr)=N1 HL3536 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 JZ5219 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.435 COC(=O)C1=CC=CC(CO)=N1 YH59259 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.11 COC1=NC(Cl)=CC(C(=O)Cl)=C1 LL1930 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.11 COC1=NC(Cl)=CC(C(=O)O)=C1 JZ5043 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.511 NC1=C(O)N=C(O)N=C1C(=O)O JZ1164 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.440 COC1=C(N)C(C(C)=O)=CC=C1 YH01088 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.894 CC(=O)C1=C(Cl)C=CC(C)=C1F LL2692 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.894 CC(=O)C1=C(F)C=CC(C)=C1F LL2713 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 JZ4127 [0,2,0,0,0,0|2,0,0]=4 446 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|2,0,0]=4 447 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 LQ4410 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 LQ4415 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.1 C=CC1=NC(C)=CS1 LT1724 [1,0,0,0,1,0|1,0,1]=4 450 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [1,0,0,0,1,0|1,0,0]=3 451 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [1,0,0,0,1,0|2,0,0]=4 452 B8R1.1 CC1=CSC(C=O)=N1 YH33412 [1,0,0,0,1,0|1,0,0]=3 453 B8R1.1 CC1=NC=C(C=O)S1 YH20366 [1,0,0,0,1,0|1,0,0]=3 454 B8R1.1 CCC1=NC(C)=CN1 YH96350 [1,0,0,0,1,0|1,0,1]=4 455 B8R1.1 COC1=CN=C(C)S1 LT1946 [1,0,0,0,1,0|2,0,0]=4 456 B8R1.1 NC1=NC=C(C=O)S1 HL0577 [1,0,0,0,1,0|2,0,0]=4 457 B8R1.1 O=CC1=CC=C(Br)O1 RT15017 [1,0,0,0,1,0|2,0,0]=4 458 B8R1.1 O=CC1=CC=C(I)O1 XJ2246 [1,0,0,0,1,0|2,0,0]=4 459 B8R1.1 O=CC1=CN=C(Cl)S1 YH97918 [1,0,0,0,1,0|2,0,0]=4 460 B8R1.1 O=CC1=CSC(Br)=N1 LQ2841 [1,0,0,0,1,0|2,0,0]=4 461 B8R1.11 C=CC1=C(C)N=CS1 JZ1141 [1,0,0,0,1,0|1,0,1]=4 462 B8R1.11 CC1=C(C=O)SC=N1 LT2846 [1,0,0,0,1,0|1,0,0]=3 463 B8R1.11 CN1C=CC=C1C=O JZ4460 [1,0,0,0,1,0|2,0,0]=4 464 B8R1.11 CSC1=C(C)OC=C1 XJ6013 [1,0,0,0,1,0|2,0,0]=4 465 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,0,0,0,1,0|1,0,0]=3 466 B8R1.7 CC(=O)C1=CN=NS1 YH33246 [1,0,0,0,1,0|2,0,0]=4 467 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [1,0,0,0,1,0|0,0,1]=3 468 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [1,0,0,0,1,0|0,0,1]=3 469 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [1,0,0,0,1,0|1,0,0]=3 470 B8R1.7 CC(=O)N1C=CN=C1 YH49188 [1,0,0,0,1,0|1,0,0]=3 471 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [1,0,0,0,1,0|2,0,0]=4 472 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [1,0,0,0,1,0|2,0,0]=4 473 B8R1.7 O=C(Cl)C1=COC=C1 YH50424 [1,0,0,0,1,0|2,0,0]=4 474 B8R1.7 O=C(Cl)C1=CSC=C1 YH00609 [1,0,0,0,1,0|2,0,0]=4 475 B8R1.7 O=C(Cl)N1C=CN=C1 YH16896 [1,0,0,0,1,0|2,0,0]=4 476 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [1,0,0,0,1,0|1,0,1]=4 477 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [1,0,0,0,1,0|2,0,0]=4 478 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [1,0,0,0,1,0|2,0,0]=4 479 B8R1.7 O=C(O)C1=CC=NS1 YH21736 [1,0,0,0,1,0|2,0,0]=4 480 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [1,0,0,0,1,0|1,0,1]=4 481 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [1,0,0,0,1,0|2,0,0]=4 482 B8R1.7 O=C(O)C1=CNN=C1 RT14194 [1,0,0,0,1,0|2,0,0]=4 483 B8R1.7 O=C(O)C1=COC=N1 LQ4340 [1,0,0,0,1,0|2,0,0]=4 484 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [1,0,0,0,1,0|2,0,0]=4 485 B8R1.7 O=C(O)C1=NC=CS1 JZ4900 [1,0,0,0,1,0|2,0,0]=4 486 B8R1.7 O=C(O)C1=NNC=C1 XJ1870 [1,0,0,0,1,0|1,0,1]=4 487 B8R1.7 O=C(O)C1=NOC=C1 JZ2260 [1,0,0,0,1,0|2,0,0]=4 488 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,0,0,0,0,1|2,0,0]=4 489 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [1,0,0,0,0,1|1,0,0]=3 490 B10R1.18 CC(=O)NC1=NC=CC=C1 LQ2855 [1,0,0,0,0,1|1,0,0]=3 491 B10R1.18 CC(=O)OC1=NC=CC=C1 RT9785 [1,0,0,0,0,1|1,0,0]=3 492 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [1,0,0,0,0,1|2,0,0]=4 493 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [1,0,0,0,0,1|2,0,0]=4 494 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [1,0,0,0,0,1|2,0,0]=4 495 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [1,0,0,0,0,1|2,0,0]=4