0 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)C1=CC(Cl)=CS1 XJ5172 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CC=C(C)O1 JZ1181 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CN(C)C=C1 JZ4275 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=CC(C(=O)Cl)=NO1 XJ5355 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 CC1=CC(C(=O)O)=NO1 HL2548 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 RT14132 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.35 CC1=CC=C(C(=O)Cl)S1 LT0712 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC1=CN=C(C(=O)O)O1 YH02221 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CC1=CN=C(C(=O)O)S1 CJ2740 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 CC1=CNC(C(=O)O)=C1 YH42507 [0,0,0,0,0,0|1,0,1]=2 12 B9R1.35 CC1=COC(C(=O)O)=N1 RT15003 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 CC1=CSC(C(=O)O)=C1 XJ4050 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 CC1=CSC(C(=O)O)=N1 YH35093 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CC1=NC(C(=O)O)=CN1 RT14528 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 CC1=NC(C(=O)O)=CO1 RT14087 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC1=NC=C(C(=O)O)S1 YH59279 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.35 CC1=NNC(C(=O)O)=C1 YH14439 [0,0,0,0,0,0|0,0,2]=2 19 B9R1.35 CC1=NOC(C(=O)O)=C1 LX2905 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.35 CN1C=NC(C(=O)O)=C1 XJ5462 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 CN1C=NC(C(=O)O)=N1 YH19919 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 NC(=O)C1=CC([O-])=NO1 RT4110 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 NC1=NC(C(=O)O)=CS1 LT2287 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 NC1=NC(C(=O)O)=NN1 LT2544 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.35 O=C(O)C1=CC(Br)=CS1 LQ3954 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 O=C(O)C1=CC(Br)=CS1 RT8377 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 O=C(O)C1=CC=C(Br)S1 JZ0392 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 O=C(O)C1=CC=C(Cl)S1 XJ4788 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 O=C(O)C1=COC(F)=N1 RT15298 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 O=C(O)C1=CSC(Br)=N1 JZ0401 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 O=C(O)C1=NC(Br)=CO1 RT15489 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 O=C(O)C1=NNC(Br)=C1 YH32024 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.35 O=C([O-])C1=CC(O)=NS1 RT7884 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.35 O=C1C=C(C(=O)O)CC1 LX3058 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.1 CC1=CC(CO)=NO1 YH56334 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.1 CC1=CSC(C=O)=N1 YH33412 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.1 CC1=NC=C(C=O)S1 YH20366 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.1 CC1=NOC(CO)=C1 YH35431 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.1 O=CC1=CC(Br)=CN1 RT4583 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.1 O=CC1=CC(Br)=CO1 JZ5461 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.1 O=CC1=CC(Br)=CS1 LQ4096 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 NC(=O)C1=NNC=N1 YH57164 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 O=C(Cl)C1=COC=C1 YH50424 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.7 O=C(Cl)C1=CSC=C1 YH00609 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 O=C(O)C1=CC=NS1 YH21736 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.7 O=C(O)C1=CN=NN1 LT6005 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.7 O=C(O)C1=CNN=C1 RT14194 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 O=C(O)C1=COC=N1 LQ4340 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 O=C(O)C1=COCC1 YH98627 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 O=C(O)C1=NC=CS1 JZ4900 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.7 O=C(O)C1=NNC=C1 XJ1870 [1,0,0,0,0,0|0,0,0]=1 66 B8R1.7 O=C(O)C1=NOC=C1 JZ2260 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.7 O=C(O)C1C=CC=C1 LT5432 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.7 O=C(O)[C@@H]1C=CCN1 LX2096 [1,0,0,0,0,0|1,0,2]=4 69 B8R1.7 O=[N+]([O-])C1=NNN=C1 YH88855 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.7 OB(O)C1=NNC=C1 YH57912 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.14 CC1=CC(C(=O)CBr)=NO1 YH07354 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.14 CC1=NOC(C(=O)CBr)=C1 YH22762 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.14 COC(=O)C1=CC(=O)NN1 YH66536 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.14 COC(=O)C1=CC(O)=NO1 JZ3359 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.14 COC(=O)C1=CN(C)C=N1 YH39848 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.31 COC1=CN=C(C(=O)O)O1 RT15406 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.31 COC1=CSC(C(=O)Cl)=C1 LX3261 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.55 CC1=CC(C(F)(F)F)=NN1 YH97012 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 LT0623 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 LQ3077 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 LT0658 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 LT2352 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 LQ2189 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 HL2755 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 YH47996 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.59 CN1N=C(Cl)C=C1C(=O)O YH66656 [0,1,0,0,0,0|1,0,2]=4 87 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 LQ4910 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.194 CC1=CSC(C(N)=O)=C1N LT0614 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.9 CNC(=O)\C=C/C(=O)O JZ3047 [0,0,1,0,0,0|2,0,0]=3 90 B8R0.9 COC(=O)\C=C/C(=O)O HL2437 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.23 C(C(=O)O)=C(/C)C(=O)O XJ0826 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.23 C\C(=C/C(=O)O)C(=O)O XJ0827 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.23 NC(=O)\C=C(/N)C(N)=O RT0325 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.28 CC(=O)NCCC(=O)O XJ2381 [0,0,1,0,0,0|2,0,1]=4 95 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [0,0,0,0,0,1|2,0,1]=4 96 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.13 CC1=CC=C(C(=O)O)C=C1 JZ0130 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [0,0,0,0,0,1|1,0,1]=3 99 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.13 CC1=CC=C(S(=O)O)C=C1 LL0969 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.13 CC1=CN=C(B(O)O)C=C1 YH57645 [0,0,0,0,0,1|2,0,1]=4 102 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [0,0,0,0,0,1|1,0,0]=2 103 B10R1.13 CC1=NC=C(C(=O)O)C=N1 YH04926 [0,0,0,0,0,1|1,0,1]=3 104 B10R1.13 CC1=NC=C(C(=O)O)N=C1 LT1326 [0,0,0,0,0,1|1,0,0]=2 105 B10R1.13 NC(=O)C1=NC=C(N)C=C1 YH35056 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.13 NC1=CC=C(C(=O)O)C=C1 RT3381 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.13 NC1=CC=C(C(=O)O)C=N1 LT3585 [0,0,0,0,0,1|2,0,1]=4 108 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 XJ1044 [0,0,0,0,0,1|3,0,0]=4 110 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 JZ1200 [0,0,0,0,0,1|2,0,1]=4 112 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 JZ0383 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 LT3592 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 HL2902 [0,0,0,0,0,1|1,0,1]=3 115 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.13 O=C(O)C1=CC=C(I)C=C1 JZ3940 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.13 O=C(O)C1=CC=C(O)C=C1 JZ0015 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.13 O=C(O)C1=CC=C(O)N=C1 RT9389 [0,0,0,0,0,1|2,0,1]=4 120 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CJ2890 [0,0,0,0,0,1|2,0,1]=4 121 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 XJ5265 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [0,0,0,0,0,1|2,0,0]=3 123 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 LX2929 [0,0,0,0,0,1|2,0,0]=3 124 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [0,0,0,0,0,1|2,0,0]=3 125 B10R1.13 O=C(O)C1=NC=C(O)N=C1 LX2658 [0,0,0,0,0,1|2,0,0]=3 126 B10R1.13 O=C1C=NC(C(=O)[O-])=CN1 YH18171 [0,0,0,0,0,1|2,0,1]=4 127 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 LX2618 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CJ2939 [0,0,0,0,0,1|2,0,0]=3 129 B10R1.113 CC1=CC(B(O)O)=CN=C1 HL3668 [0,0,0,0,0,1|2,0,1]=4 130 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.113 CC1=CC=CC(C(=O)O)=C1 XJ0266 [0,0,0,0,0,1|2,0,0]=3 132 B10R1.113 CC1=CC=CC(C(=O)O)=N1 JZ4291 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.113 CC1=CN=CC(C(=O)O)=C1 LT6022 [0,0,0,0,0,1|1,0,0]=2 134 B10R1.113 CC1=NC(C(=O)O)=CC=N1 JZ4788 [0,0,0,0,0,1|2,0,1]=4 135 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 XJ3010 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 LQ4630 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 XJ6709 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.113 NC1=CC(C(=O)O)=CN=C1 YH48838 [0,0,0,0,0,1|2,0,0]=3 139 B10R1.113 NC1=CC(C(=O)O)=NC=C1 RT5964 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.113 NC1=NC=CC(C(=O)O)=C1 YH32218 [0,0,0,0,0,1|2,0,1]=4 141 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 YH50522 [0,0,0,0,0,1|2,0,1]=4 142 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 JZ0792 [0,0,0,0,0,1|2,0,1]=4 143 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 LT3007 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 LT6515 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.113 O=C(O)C1=CC(F)=CC=C1 JZ1086 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.113 O=C(O)C1=CC(F)=CN=C1 LQ0786 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.113 O=C(O)C1=CC(I)=CC=C1 LQ1220 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.113 O=C(O)C1=CC(O)=CC=C1 RT13217 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.113 O=C(O)C1=CC(S)=NC=C1 YH42361 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 LT2935 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 JZ4304 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 LT3524 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.113 O=C(O)C1=CN=CC(O)=C1 JZ0794 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=N1 RT9260 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 YH48486 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 LX2083 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 LQ2927 [0,0,0,0,0,1|2,0,0]=3 158 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 YH57583 [0,0,0,0,0,1|1,0,1]=3 159 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY0110 [0,0,0,0,0,1|1,0,1]=3 160 B7R0.5 CC\C=C(/C)C(=O)O LT5109 [1,0,1,0,0,0|1,0,1]=4 161 B7R0.6 CC(=O)\C=C\C(=O)O JZ2572 [1,0,1,0,0,0|1,0,0]=3 162 B7R0.6 CC(=O)\C=C\C(=O)O YH65778 [1,0,1,0,0,0|1,0,0]=3 163 B7R0.6 NC(=O)\C=C/C(=O)O LQ1029 [1,0,1,0,0,0|1,0,0]=3 164 B7R0.6 O=C([O-])\C=C\C(=O)O LQ3341 [1,0,1,0,0,0|2,0,0]=4 165 B7R0.6 OC(=O)\C=C\C(=O)O JZ1539 [1,0,1,0,0,0|2,0,0]=4 166 B7R1.1 O=CC1=CC=CN1 HL3957 [2,0,0,0,0,0|1,0,1]=4 167 B7R1.1 O=CC1=CC=CN1 RT5965 [2,0,0,0,0,0|1,0,1]=4 168 B7R1.1 O=CC1=CC=CS1 LT6658 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.1 O=CC1=CC=NN1 YH58836 [2,0,0,0,0,0|0,0,2]=4 170 B7R1.1 O=CC1=CC=NS1 YH05211 [2,0,0,0,0,0|1,0,1]=4 171 B7R1.1 O=CC1=CNC=N1 LX3143 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.1 O=CC1=CSC=C1 LT0654 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.1 O=CC1=NC=CN1 RT10129 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.1 O=CC1=NOC=C1 YH93674 [2,0,0,0,0,0|1,0,0]=3 175 B7R1.1 OCC1=CNC=C1 RT14164 [2,0,0,0,0,0|1,0,1]=4 176 B7R1.1 OCC1=NNC=C1 JZ5592 [2,0,0,0,0,0|0,0,1]=3 177 B7R1.2 CC1=CC(=O)CC1 HL2331 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.2 CC1=CC(C)=NN1 YH13269 [2,0,0,0,0,0|0,0,1]=3 179 B7R1.2 CC1=CC(C)=NO1 LL0658 [2,0,0,0,0,0|1,0,1]=4 180 B7R1.2 CC1=CC(N)=NN1 LT6115 [2,0,0,0,0,0|1,0,0]=3 181 B7R1.2 CC1=CC(N)=NO1 JZ4347 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.2 CC1=CNC(C)=C1 XJ1200 [2,0,0,0,0,0|1,0,1]=4 183 B7R1.2 NC1=NNC(O)=C1 LQ5283 [2,0,0,0,0,0|2,0,0]=4 184 B9R0.53 CC(=O)N\C(C)=C/C(=O)O CJ2905 [0,1,1,0,0,0|2,0,0]=4 185 B9R0.53 CC(=O)N\C(C)=C\C(=O)O LX5186a [0,1,1,0,0,0|2,0,0]=4 186 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.11 COC(=O)C1=CNC=C1 YH51079 [1,1,0,0,0,0|1,0,0]=3 188 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [1,1,0,0,0,0|0,0,0]=2 190 B9R1.11 COC(=O)C1=NNC=N1 YH03297 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.41 CC1=C(C(=O)O)N=CO1 YH22337 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.41 CC1=C(C(=O)O)N=CS1 YH65662 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.41 CC1=C(C(=O)O)ON=C1 YH50311 [1,1,0,0,0,0|1,0,1]=4 197 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.41 CC1=CNC=C1C(=O)O RT10098 [1,1,0,0,0,0|1,0,0]=3 199 B9R1.41 CC1=CNN=C1[N+](=O)[O-] RT4436 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.41 CC1=CON=C1C(=O)O YH46481 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.41 CN1C=CN=C1C(=O)O JZ5397 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.41 CN1N=CC=C1C(=O)O YH37728 [1,1,0,0,0,0|0,0,2]=4 203 B9R1.41 NC1=C(C(=O)O)C=NN1 LT6718 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.41 NC1=C(C(=O)O)SC=C1 YH06872 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.41 NC1=NNC=C1C(=O)O YH00680 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.41 O=C(O)C1=C(F)C=CS1 YH54410 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.41 O=C(O)C1=C(F)SC=C1 CJ3042 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.41 O=C(O)C1=NOC=C1O RT18938 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 JZ3941 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 LQ3466 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.3 COC1=CC=C(C(=O)O)C=C1 JZ4549 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.3 COC1=CC=C(C(=O)O)N=C1 RT6533 [0,1,0,0,0,1|1,0,0]=3 213 B11R1.3 COC1=NC=C(C(=O)O)C=C1 JZ0752 [0,1,0,0,0,1|1,0,1]=4 214 B11R1.3 COC1=NC=C(C(=O)O)N=C1 YH59418 [0,1,0,0,0,1|1,0,0]=3 215 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 LT3084 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 LQ0055 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 RT10589 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 HL4991 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 XJ2357 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 LQ3334 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 YH92885 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 LQ1233 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 YH66048 [0,1,0,0,0,1|1,0,0]=3 224 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 LT6782 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 LL1505 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 XJ2209 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 LT2606 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl LQ2823 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] LT4062 [0,1,0,0,0,1|1,0,0]=3 230 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br RT2374 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 YH65444 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.22 COC(=O)C1=CC=C(C)N=C1 RT12187 [0,1,0,0,0,1|1,0,1]=4 233 B11R1.22 COC(=O)C1=CC=C(O)C=N1 SY0217 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 XJ4983 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 YH93944 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 LT5905 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.22 COC(=O)C1=NC=C(O)N=C1 LT5907 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 LQ3335 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 LX2050 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 YH13201 [0,1,0,0,0,1|1,0,1]=4 241 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 YH18052 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 HL2212 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl YH27314 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl YH19973 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.314 NC(C(=O)O)C1=CC(=O)NO1 CJ3074 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.23 COC(=O)C1=CC(=O)NC=N1 YH16507 [0,1,0,0,0,1|1,0,0]=3 247 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 YH24417 [0,1,0,0,0,1|1,0,1]=4 248 B11R1.23 COC(=O)C1=CC(N)=CN=C1 YH56942 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.23 COC(=O)C1=CC=CC(C)=C1 XJ0280 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12209 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12213 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.23 COC(=O)C1=NC=CC(N)=C1 YH15318 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 LX2350 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 XJ0834 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 YH08537 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 LX2156 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 YH38536 [0,1,0,0,0,1|1,0,1]=4 258 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 LT7276 [0,1,0,0,0,1|1,0,1]=4 259 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 XJ5872 [0,1,0,0,0,1|1,0,1]=4 260 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 LT5949 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 JZ0027 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br SY0004 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.159 CC1=CC=CC(C(=O)O)=C1F YH53947 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl YH98254 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 XJ3183 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 XJ0662 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 YH05261 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=C1 LQ3105 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O JZ1003 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.167 NC1=NC=C(Cl)C=C1C(=O)O YH05416 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 LX2708 [0,1,0,0,0,1|1,0,1]=4 272 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O YH22672 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl YH09173 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl LQ4919 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.167 O=C(O)C1=CC(F)=CN=C1F YH89730 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.167 O=C(O)C1=CC(F)=CN=C1O YH92224 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 RT7849 [0,1,0,0,0,1|1,0,0]=3 278 B11R1.266 COC1=CC(C(=O)O)=CC=C1 LT2613 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.266 COC1=CC(C(=O)O)=NC=C1 YH52275 [0,1,0,0,0,1|1,0,0]=3 280 B11R1.266 COC1=NC=CC(C(=O)O)=C1 XJ6812 [0,1,0,0,0,1|1,0,1]=4 281 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 JZ4197 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.266 N#CC1=CN=CC(C(=O)O)=C1 YH93163 [0,1,0,0,0,1|1,0,1]=4 283 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 JZ1981 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 XJ3151 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 LT2902 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 YH51784 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.15 CCOC(=O)C1=CNC(C)=N1 YH91397 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.15 CCOC(=O)C1=NNC(N)=C1 XJ6802 [0,2,0,0,0,0|1,0,0]=3 289 B11R1.226 COC(=O)C1=CC(C)=C(Br)S1 YH06593 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.226 COC(=O)C1=NC(O)=C(C)O1 RT14616 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.226 COC(=O)C1=NN(C)C(O)=C1 YH04941 [0,2,0,0,0,0|1,0,0]=3 292 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 JZ0443 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.175 CC(=O)C1=CC(C(C)=O)=NN1 RT8673 [0,2,0,0,0,0|1,0,0]=3 294 B11R1.175 O=C(O)C1=CC(C(=O)O)=NN1 YH53675 [0,2,0,0,0,0|0,0,1]=3 295 B11R1.175 O=C(O)C1=NNC([N+](=O)[O-])=C1 LL2570 [0,2,0,0,0,0|1,0,0]=3 296 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [0,0,1,1,0,0|1,0,1]=4 297 B9R1.6 O=C(O)C1=CCCNC1 RT4412 [0,0,1,1,0,0|1,0,1]=4 298 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [0,0,1,1,0,0|2,0,0]=4 299 B9R1.2 CC1=CC(C=O)=CC=C1 JZ3952 [1,0,0,0,0,1|2,0,0]=4 300 B9R1.2 CC1=CC(CO)=NC=C1 YH01119 [1,0,0,0,0,1|1,0,1]=4 301 B9R1.2 O=CC1=CC(Br)=CN=C1 LT3730 [1,0,0,0,0,1|2,0,0]=4 302 B9R1.2 O=CC1=CC(F)=CN=C1 YH65531 [1,0,0,0,0,1|2,0,0]=4 303 B9R1.13 O=C(O)CC1=CC=CS1 LT6659 [1,0,0,0,0,1|2,0,0]=4 304 B9R1.13 O=C(O)CC1=CNC=C1 YH90782 [1,0,0,0,0,1|1,0,0]=3 305 B9R1.13 O=C(O)CC1=CNC=N1 LX2171 [1,0,0,0,0,1|2,0,0]=4 306 B9R1.13 O=C(O)CC1=CSC=C1 LT3139 [1,0,0,0,0,1|2,0,0]=4 307 B9R1.13 O=C(O)CC1=CSC=C1 XJ3177 [1,0,0,0,0,1|2,0,0]=4 308 B9R1.13 O=C(O)CC1=NC=CN1 YH42847 [1,0,0,0,0,1|2,0,0]=4 309 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 JZ3970 [0,0,0,0,0,2|2,0,0]=4 310 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 YH59202 [0,0,0,0,0,2|2,0,0]=4