0 B9R1.35 CC(=O)C1=CC=C(Br)S1 001260 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC=C(C)S1 001262 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)C1=CC=C(Cl)S1 001261 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CC=C(I)S1 033173 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(=O)C1=CN(C)C=C1 103065 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC(=O)C1=CN(C)N=C1 031562 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=CC(C(=O)Cl)=NO1 017344 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.35 CC1=CC(C(=O)O)=NN1 014537 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 CC1=CC(C(=O)O)=NO1 017252 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.35 CC1=CC(C(N)=O)=NO1 076779 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.35 CC1=CC=C(C(=O)O)O1 014513 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 CC1=CC=C(C(=O)O)S1 045076 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 CC1=CN=C(C(=O)O)S1 044786 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 CC1=CSC(B(O)O)=C1 011050 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 CC1=CSC(C(=O)O)=C1 023894 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 CC1=CSC(C(N)=O)=C1 023896 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 CC1=NC(C(=N)N)=CS1 017222 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC1=NC=C(C(=O)O)O1 227751 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 CC1=NC=C(C(=O)O)S1 044774 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 208733 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 CC1=NN=C(C(=O)[O-])O1 092836 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 CC1=NNC(C(N)=O)=C1 046285 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 077615 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 CC1=NOC(C(=O)O)=C1 027734 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 CN1C=C(B(O)O)C=N1 065603 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 CN1C=C(C(=O)O)C=N1 028252 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.35 CN1C=CC(C(=O)O)=N1 014532 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 CN1C=NC(C(=O)O)=C1 012732 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 NC(=O)C1=CC(Br)=CS1 070165 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 NC(=O)C1=CC=C(Br)S1 038547 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 NC1=NC=C(C(=O)O)S1 076210 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 NC1=NNC(C(=O)O)=N1 046716 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 NC1=NNC(C(=O)O)=N1 076326 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 O=C(Cl)C1=CC=C(Br)S1 368671 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 O=C(O)C1=CC(Br)=CS1 028027 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 O=C(O)C1=CC=C(Br)O1 020339 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 O=C(O)C1=CC=C(Br)S1 114300 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 O=C(O)C1=CC=C(Cl)S1 014515 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 O=C(O)C1=CN=C(Br)S1 016153 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.1 CC1=CC(CO)=NO1 017477 [1,0,0,0,0,0|1,1,1]=4 40 B8R1.1 CC1=CC=C(C=O)O1 216646 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.1 CC1=CC=C(C=O)S1 045074 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.1 CC1=CC=C(CO)O1 013649 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 CC1=CC=C(CO)S1 362444 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.1 CC1=CSC(C=O)=N1 065270 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.1 CC1=NC(C#N)=CS1 017216 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.1 CC1=NC(CCl)=CS1 016133 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.1 CN1C=C(C=O)C=N1 014499 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.1 NC1=NC=C(C=O)S1 016150 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.1 O=CC1=CC(Br)=CS1 019228 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.1 O=CC1=CC=C(Br)O1 010657 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.1 O=CC1=CC=C(Br)S1 065250 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.1 O=CC1=CC=C(Cl)S1 013487 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.1 O=CC1=CN=C(Br)S1 016151 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 O=CC1=CN=C(Cl)S1 093519 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.1 O=CC1=CSC(Br)=N1 047696 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 CC(=O)C1=CC=CN1 002744 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.7 CC(=O)C1=CC=CO1 088461 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.7 CC(=O)C1=CC=CS1 005042 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 CC(=O)C1=CSC=C1 013392 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.7 CC(=O)N1C=CN=C1 008022 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 NC(=O)C1=CC=CO1 317695 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.7 NC(=O)C1=CC=CS1 336641 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 NC(=O)C1=NNC=C1 043016 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 NC(=S)C1=CSC=C1 021347 [1,0,0,0,0,0|1,1,0]=3 65 B8R1.7 O=C(Cl)C1=CC=CO1 024674 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.7 O=C(Cl)C1=CC=CS1 099110 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.7 O=C(Cl)C1=CSN=N1 019462 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.7 O=C(O)C1=CC=CN1 066141 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 O=C(O)C1=CC=CO1 093393 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.7 O=C(O)C1=CC=CS1 003042 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.7 O=C(O)C1=CC=NO1 017345 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.7 O=C(O)C1=CN=CS1 016173 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.7 O=C(O)C1=CN=NN1 043831 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.7 O=C(O)C1=CNC=C1 075258 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.7 O=C(O)C1=CNC=C1 104381 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.7 O=C(O)C1=CNC=N1 011782 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.7 O=C(O)C1=CNN=C1 028020 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.7 O=C(O)C1=COC=C1 024288 [1,0,0,0,0,0|0,1,0]=2 79 B8R1.7 O=C(O)C1=COCC1 040021 [1,0,0,0,0,0|0,1,2]=4 80 B8R1.7 O=C(O)C1=CSC=C1 003460 [1,0,0,0,0,0|0,0,0]=1 81 B8R1.7 O=C(O)C1=CSC=N1 023485 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.7 O=C(O)C1=CSN=N1 020173 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.7 O=C(O)C1=NC=CN1 043636 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.7 O=C(O)C1=NC=CO1 047101 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.7 O=C(O)C1=NC=CS1 046193 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.7 O=C(O)C1=NNC=C1 014533 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.7 O=C(O)C1=NNC=N1 015636 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.7 OB(O)C1=COC=C1 011038 [1,0,0,0,0,0|1,1,1]=4 89 B8R1.7 OB(O)C1=CSC=C1 011010 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.14 CC1=CC=C(C(=O)NN)S1 014606 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.14 CC1=NC(C(=O)NN)=CS1 009913 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.14 CNC(=O)C1=NOC(C)=C1 102179 [0,1,0,0,0,0|2,1,0]=4 93 B10R1.14 COC(=O)C1=CC(C)=CS1 023893 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.14 COC(=O)C1=CC(O)=NO1 066977 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.14 COC(=O)C1=CC=C(Br)O1 092743 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.14 COC(=O)C1=CC=C(Br)S1 078452 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.14 COC(=O)C1=CC=C(C)O1 013655 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.14 COC(=O)C1=CC=C(C)S1 318766 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.14 COC(=O)C1=CN(C)C=N1 091995 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.14 COC(=O)C1=CN=C(N)S1 066969 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.14 COC(=O)C1=CNC(Br)=C1 044776 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.14 COC(=O)C1=COC(C)=N1 040115 [0,1,0,0,0,0|1,1,0]=3 103 B10R1.14 COC(=O)C1=CSC(Br)=N1 016167 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.14 COC(=O)C1=CSC(Cl)=N1 078279 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.14 COC(=O)C1=CSC(N)=N1 066960 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.14 COC(=O)C1=NOC(C)=C1 033167 [0,1,0,0,0,0|1,1,0]=3 107 B10R1.31 COC1=NOC(C(=O)O)=C1 219610 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.31 O=C(O)C1=CC=C(CO)O1 029067 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.31 O=CC1=CC=C(C(=O)O)O1 009253 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.31 O=CC1=CC=C(C(=O)O)S1 009254 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 013553 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.58 CC1=CC(C(=O)Cl)=NN1C 017176 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.58 CC1=CC(C(=O)O)=NN1C 017472 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.59 CC(=O)C1=C(C)N=C(C)O1 023608 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 240370 [0,1,0,0,0,0|1,1,0]=3 116 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 002781 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 001362 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 020168 [0,1,0,0,0,0|0,1,0]=2 119 B10R1.59 CC1=CN(C)N=C1C(=O)O 230842 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 066205 [0,1,0,0,0,0|1,1,0]=3 121 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 017412 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 017471 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 017470 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.59 CC1=NN(C)C=C1C(=O)O 020696 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 014539 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 077897 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.59 O=S([O-])C1=C(Cl)SC(Cl)=C1 009674 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.194 CC1=C(C(=O)O)SC=C1Br 019421 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.194 CC1=CSC(C(=O)O)=C1Cl 018019 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.194 CC1=CSC(C(=O)[O-])=C1I 024157 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.194 CN1N=CC(C(=O)O)=C1Cl 017058 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.194 O=C(O)C1=C(Cl)C(Cl)=NS1 019425 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.194 O=C(O)C1=C(Cl)C(O)=NS1 033422 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.194 O=C(O)C1=NSC(Cl)=C1Cl 019426 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.9 COC(=O)\C=C\C(=O)O 094823 [0,0,1,0,0,0|1,1,1]=4 136 B8R0.9 COC(=O)\C=C\C(=O)O 102026 [0,0,1,0,0,0|1,1,1]=4 137 B8R0.23 C=C(CC(=O)O)C(=O)O 094482 [0,0,1,0,0,0|1,1,1]=4 138 B8R0.28 CC(=O)SCCC(=O)O 104707 [0,0,1,0,0,0|1,0,2]=4 139 B8R0.28 CN(C)C\C=C\C(=O)O 062980 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.28 CN(C)C\C=C\C(=O)O 078562 [0,0,1,0,0,0|2,0,1]=4 141 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 002964 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 068433 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.13 CC(=O)C1=CC=C(C)C=C1 075950 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.13 CC(=O)C1=CC=C(C)N=C1 024495 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 003111 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 046158 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.13 CC(=O)C1=CC=C(F)C=C1 001621 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.13 CC(=O)C1=CC=C(I)C=C1 003065 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.13 CC(=O)C1=CC=C(I)C=C1 147401 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.13 CC(=O)C1=CC=C(N)C=C1 009865 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.13 CC(=O)C1=CC=C(O)C=C1 097596 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 209205 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.13 CC(=O)C1=NC=C(O)C=C1 242217 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.13 CC1=CC=C(B(O)O)C=C1 010854 [0,0,0,0,0,1|2,0,1]=4 155 B10R1.13 CC1=CC=C(C(=N)N)C=C1 017242 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 099143 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.13 CC1=CC=C(C(=O)O)C=C1 094627 [0,0,0,0,0,1|1,0,0]=2 158 B10R1.13 CC1=CC=C(C(=O)O)C=N1 043432 [0,0,0,0,0,1|1,0,0]=2 159 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [0,0,0,0,0,1|2,0,1]=4 160 B10R1.13 CC1=CC=C(C(C)O)C=N1 024704 [0,0,0,0,0,1|2,0,1]=4 161 B10R1.13 CC1=CC=C(C(N)=O)C=C1 032746 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.13 CC1=CC=C(C(N)=S)C=C1 021339 [0,0,0,0,0,1|2,1,0]=4 163 B10R1.13 CC1=CC=C(S(=O)O)C=C1 080223 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 227797 [0,0,0,0,0,1|2,0,1]=4 165 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 241128 [0,0,0,0,0,1|2,0,1]=4 166 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 050080 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.13 CC1=CN=C(C(=O)O)C=N1 019499 [0,0,0,0,0,1|1,0,0]=2 168 B10R1.13 CC1=CN=C(C(N)=O)C=N1 020121 [0,0,0,0,0,1|2,0,0]=3 169 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 044652 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 240110 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.13 NC(=O)C1=CC=C(F)C=C1 006181 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.13 NC(=O)C1=CC=C(I)C=C1 235780 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.13 NC(=O)C1=CC=C(N)C=C1 018168 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.13 NC(=O)C1=CC=C(N)N=C1 064856 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.13 NC(=O)C1=CC=C(O)C=C1 002826 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.13 NC1=CC=C(C(=O)O)C=C1 046699 [0,0,0,0,0,1|2,0,0]=3 177 B10R1.13 NC1=CC=C(C(=O)O)C=N1 010692 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.13 NC1=CN=C(C(=O)O)C=C1 048138 [0,0,0,0,0,1|2,0,0]=3 179 B10R1.13 NC1=NC=C(C(=O)O)N=C1 076096 [0,0,0,0,0,1|2,0,0]=3 180 B10R1.13 NC1=NC=C(C(=O)O)N=C1 104630 [0,0,0,0,0,1|2,0,0]=3 181 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 013058 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 094475 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 066669 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 001636 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 467163 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 109801 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 023530 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 079616 [0,0,0,0,0,1|2,0,0]=3 189 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 003433 [0,0,0,0,0,1|2,0,0]=3 190 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 066261 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.13 O=C(O)C1=CC=C(F)C=C1 001711 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.13 O=C(O)C1=CC=C(I)C=C1 005464 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.13 O=C(O)C1=CC=C(O)C=C1 094430 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.13 O=C(O)C1=CC=C(O)N=C1 009265 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.13 O=C(O)C1=CC=C(S)C=C1 013962 [0,0,0,0,0,1|2,0,0]=3 196 B10R1.13 O=C(O)C1=CC=C(S)N=C1 104418 [0,0,0,0,0,1|2,0,0]=3 197 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 065973 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.13 O=C(O)C1=CN=C(F)C=C1 019469 [0,0,0,0,0,1|2,0,0]=3 199 B10R1.13 O=C(O)C1=CN=C(O)C=N1 037360 [0,0,0,0,0,1|2,0,0]=3 200 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 033053 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 076094 [0,0,0,0,0,1|2,0,0]=3 202 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 035856 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 049782 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.13 O=C(O)C1=NC=C(F)C=C1 042887 [0,0,0,0,0,1|2,0,0]=3 205 B10R1.13 O=C(O)C1=NC=C(O)C=C1 066001 [0,0,0,0,0,1|2,0,0]=3 206 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 012755 [0,0,0,0,0,1|2,0,1]=4 207 B10R1.13 O=C1C=CC(C(=O)O)=NN1 028551 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 008816 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.113 CC(=O)C1=CC(C)=CC=C1 349312 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 024871 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.113 CC(=O)C1=CC(F)=CC=C1 001467 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.113 CC(=O)C1=CC(I)=CC=C1 147400 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.113 CC(=O)C1=CC(N)=CC=C1 001722 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.113 CC(=O)C1=CC=CC(O)=C1 078748 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.113 CC(=O)C1=NC(C)=CC=C1 215987 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.113 CC(=O)C1=NC=CC(C)=C1 068379 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 047445 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.113 CC1=CC(B(O)O)=CC=C1 010853 [0,0,0,0,0,1|2,0,1]=4 219 B10R1.113 CC1=CC(C(=O)Cl)=CC=C1 095026 [0,0,0,0,0,1|2,0,0]=3 220 B10R1.113 CC1=CC(C(=O)O)=CC=C1 242869 [0,0,0,0,0,1|1,0,0]=2 221 B10R1.113 CC1=CC(C(=O)O)=CC=N1 045782 [0,0,0,0,0,1|1,0,0]=2 222 B10R1.113 CC1=CC(C(N)=O)=CC=C1 324085 [0,0,0,0,0,1|2,0,0]=3 223 B10R1.113 CC1=CC=CC(C(=O)O)=N1 011322 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.113 CC1=CC=CC(C(C)O)=C1 033735 [0,0,0,0,0,1|2,0,1]=4 225 B10R1.113 CC1=CC=CC(C(N)=S)=C1 021340 [0,0,0,0,0,1|2,1,0]=4 226 B10R1.113 CC1=CC=CC(C(N)=S)=C1 097831 [0,0,0,0,0,1|2,1,0]=4 227 B10R1.113 CC1=CC=CC([N+](=O)[O-])=C1 208843 [0,0,0,0,0,1|2,0,1]=4 228 B10R1.113 CC1=CN=CC(B(O)O)=C1 076877 [0,0,0,0,0,1|2,0,1]=4 229 B10R1.113 CC1=CN=CC(C(=O)O)=C1 024697 [0,0,0,0,0,1|1,0,0]=2 230 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 103760 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 181849 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 036153 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 068498 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.113 NC(=O)C1=CC(F)=CC=C1 006180 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.113 NC(=O)C1=CC(I)=CC=C1 036159 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.113 NC(=O)C1=CC(N)=CC=C1 018167 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 018356 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.113 NC(=O)C1=CC=NC(Cl)=C1 017099 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 068535 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.113 NC1=CC(C(=O)O)=CC=C1 078487 [0,0,0,0,0,1|2,0,0]=3 241 B10R1.113 NC1=CC(C(=O)O)=CC=N1 045247 [0,0,0,0,0,1|2,0,0]=3 242 B10R1.113 NC1=CC(C(=O)O)=NC=C1 066080 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.113 NC1=CN=CC(C(=O)O)=C1 024647 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.113 NC1=NC(C(=O)O)=CC=C1 033257 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 024397 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 066675 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 098670 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 001641 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 014704 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=C1 017100 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 109800 [0,0,0,0,0,1|2,0,0]=3 252 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 009061 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 024767 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 043669 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 010413 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.113 O=C(O)C1=CC(F)=CC=C1 002167 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.113 O=C(O)C1=CC(F)=NC=C1 005468 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.113 O=C(O)C1=CC(I)=CC=C1 147800 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 078545 [0,0,0,0,0,1|2,0,0]=3 260 B10R1.113 O=C(O)C1=CC=CC(F)=N1 005466 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.113 O=C(O)C1=CC=CC(O)=C1 208854 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.113 O=C(O)C1=CC=CC(O)=N1 045246 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.113 O=C(O)C1=CC=NC(O)=C1 043645 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.113 O=C(O)C1=CN=CC(F)=C1 035868 [0,0,0,0,0,1|2,0,0]=3 265 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 021278 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 013139 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 062993 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 036988 [0,0,0,0,0,1|2,0,0]=3 269 B10R1.113 O=C(O)C1=NC=CC(O)=C1 093182 [0,0,0,0,0,1|2,0,0]=3 270 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 077265 [0,0,0,0,0,1|2,0,0]=3 271 B10R1.113 O=C(O)C1=NC=NC(O)=C1 076404 [0,0,0,0,0,1|2,0,0]=3 272 B7R0.4 CCC\C=C\C(=O)O 002797 [1,0,1,0,0,0|1,0,1]=4 273 B7R0.4 C\C=C\C=C\C(=O)O 104773 [1,0,1,0,0,0|1,0,0]=3 274 B7R0.5 CC\C=C(/C)C(=O)O 002778 [1,0,1,0,0,0|0,0,2]=4 275 B7R0.5 CC\C=C(/C)C(=O)O 102663 [1,0,1,0,0,0|0,0,2]=4 276 B7R0.6 CC(C)\C=C\C(=O)O 011183 [1,0,1,0,0,0|0,0,2]=4 277 B7R0.6 O=C(O)\C=C/C(=O)O 152300 [1,0,1,0,0,0|1,1,0]=4 278 B7R0.6 O=C(O)\C=C\C(=O)O 094517 [1,0,1,0,0,0|1,1,0]=4 279 B7R1.1 C(=O)C1=CC=CS1 003419 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.1 CCC1=CSC=C1 006141 [2,0,0,0,0,0|1,0,1]=4 281 B7R1.1 COC1=CSC=C1 013627 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.1 N#CC1=CSC=C1 049749 [2,0,0,0,0,0|1,0,1]=4 283 B7R1.1 O=CC1=CC=CN1 043867 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.1 O=CC1=CC=CO1 053252 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.1 O=CC1=CC=CO1 104085 [2,0,0,0,0,0|2,0,0]=4 286 B7R1.1 O=CC1=CC=NN1 046433 [2,0,0,0,0,0|2,0,0]=4 287 B7R1.1 O=CC1=CN=CS1 016172 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.1 O=CC1=CNC=N1 065293 [2,0,0,0,0,0|2,0,0]=4 289 B7R1.1 O=CC1=CNN=C1 076572 [2,0,0,0,0,0|2,0,0]=4 290 B7R1.1 O=CC1=CSC=C1 045073 [2,0,0,0,0,0|0,0,0]=2 291 B7R1.1 O=CC1=CSC=N1 016171 [2,0,0,0,0,0|1,0,0]=3 292 B7R1.1 O=CC1=CSN=N1 065326 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.1 OCC1=COC=C1 092657 [2,0,0,0,0,0|0,1,1]=4 294 B7R1.1 OCC1=CSC=C1 067714 [2,0,0,0,0,0|0,0,1]=3 295 B7R1.1 OCC1=CSC=N1 016174 [2,0,0,0,0,0|1,0,1]=4 296 B7R1.2 CC1=CC(=O)CC1 078668 [2,0,0,0,0,0|1,0,1]=4 297 B7R1.2 CC1=CC(Br)=CS1 022016 [2,0,0,0,0,0|1,0,0]=3 298 B7R1.2 CC1=CSC(C)=N1 002760 [2,0,0,0,0,0|1,0,1]=4 299 B7R1.2 NC1=NC(O)=CS1 319245 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.21 CCN1C=C(C=O)C=N1 014500 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.21 O=CC1=CC=C(CO)O1 065253 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.22 CC1=CC(C#N)=C(N)S1 021664 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.22 CC1=CC(C)=C(C=O)N1 077848 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.22 CC1=NN(C)C=C1C=O 014484 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.23 CC1=C(C)SC(C=O)=C1 024276 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.11 COC(=O)C1=CC=CN1 012688 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.11 COC(=O)C1=CC=CO1 001778 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.11 COC(=O)C1=CC=CS1 011194 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.11 COC(=O)C1=CC=NS1 040125 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.11 COC(=O)C1=CNC=C1 078209 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.11 COC(=O)C1=CNC=N1 047539 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.11 COC(=O)C1=COC=C1 218965 [1,1,0,0,0,0|0,1,0]=3 313 B9R1.11 COC(=O)C1=CSC=C1 219260 [1,1,0,0,0,0|0,0,0]=2 314 B9R1.11 NNC(=O)C1=CSC=C1 019000 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.11 N\C(=N/O)C1=CSC=C1 316419 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.11 O=C(O[Cu])C1=CC=CS1 043827 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.41 CC1=C(C(=O)O)C=CS1 066125 [1,1,0,0,0,0|0,0,0]=2 318 B9R1.41 CC1=C(C(=O)O)C=NO1 066197 [1,1,0,0,0,0|1,1,0]=4 319 B9R1.41 CC1=C(C(=O)O)OC=N1 035897 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.41 CC1=C(C(=O)O)SC=C1 045075 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.41 CC1=CSC=C1C(=O)O 224039 [1,1,0,0,0,0|0,0,0]=2 322 B9R1.41 CN1C=CC=C1C(=O)O 093156 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.41 CN1C=NC=C1C(=O)O 066237 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.41 CN1N=CC=C1C(=O)O 014534 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.41 NC(=O)C1=C(N)SC=C1 021279 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.41 O=C(O)C1=C(Br)C=CS1 019423 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.41 O=C(O)C1=C(Br)SC=C1 092319 [1,1,0,0,0,0|0,0,0]=2 328 B9R1.41 O=C(O)C1=C(Cl)C=CS1 017407 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.41 O=C(O)C1=C(Cl)SC=C1 077280 [1,1,0,0,0,0|0,0,0]=2 330 B9R1.41 O=C(O)C1=C(I)C=CS1 021666 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.41 O=C(O)C1=NNC=C1Cl 014524 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.41 O=[N+]([O-])C1=C(Br)SC=C1 227626 [1,1,0,0,0,0|1,0,1]=4 333 B9R1.41 O=[N+]([O-])C1=C(Cl)SC=C1 005876 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 047874 [0,1,0,0,0,1|1,0,1]=4 335 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 001222 [0,1,0,0,0,1|1,0,1]=4 336 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 079582 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 018679 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 065850 [0,1,0,0,0,1|1,0,0]=3 339 B11R1.3 CCC1=CC=C(C(N)=O)C=C1 104617 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 235735 [0,1,0,0,0,1|1,0,0]=3 341 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 098865 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.3 COC1=CC=C(C(=O)O)C=C1 065743 [0,1,0,0,0,1|1,0,0]=3 343 B11R1.3 COC1=CC=C(C(C)=O)C=C1 043293 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.3 COC1=CC=C(C(C)=O)C=N1 046159 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.3 COC1=CC=C(C(N)=O)C=C1 240987 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.3 COC1=CN=C(C(=O)O)C=N1 076463 [0,1,0,0,0,1|1,0,0]=3 347 B11R1.3 COC1=NC=C(C(=O)O)C=C1 043843 [0,1,0,0,0,1|1,0,0]=3 348 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 023852 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 076798 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 075232 [0,1,0,0,0,1|1,0,1]=4 351 B11R1.3 N#CC1=CC=C(C(=O)O)C=N1 023686 [0,1,0,0,0,1|1,0,1]=4 352 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 214679 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 077969 [0,1,0,0,0,1|1,0,0]=3 354 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 103985 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 209100 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 210055 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 019226 [0,1,0,0,0,1|1,0,0]=3 358 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 091971 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 M02899 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 078635 [0,1,0,0,0,1|1,0,1]=4 361 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 075220 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 078111 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 103736 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 234166 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 005782 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.21 CC1=C(Br)C=C(C(=O)Cl)C=C1 014697 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.21 CC1=C(Br)C=C(C(N)=O)C=C1 094072 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.21 CC1=C(C)C=C(C(=O)Cl)C=C1 014686 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 044555 [0,1,0,0,0,1|1,0,0]=3 370 B11R1.21 CC1=C(Cl)C=C(C(=O)Cl)C=C1 062744 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 120215 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.21 CC1=C(F)C=C(C(=O)Cl)C=C1 005791 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 001468 [0,1,0,0,0,1|1,0,0]=3 374 B11R1.21 CC1=C(F)C=C(C(N)=O)C=C1 005786 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 005790 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 013858 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 018745 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 047883 [0,1,0,0,0,1|1,0,0]=3 379 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 019461 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 018719 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.21 CC1=CC(C(=O)O)=CC=C1Br 018296 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.21 CC1=CC(C(=O)O)=CC=C1Cl 018394 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.21 CC1=CC=C(C(=O)O)C=C1Br 075171 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.21 CC1=CC=C(C(N)=O)C=C1C 091232 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.21 CN1C=CC(C(=O)O)=CC1=O 041839 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 065847 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 021888 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 033910 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 013032 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 065683 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 065840 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.21 NC1=CC=C(C(=O)O)C=C1N 003415 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 005474 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 038131 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 127105 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 010699 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 002149 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 005476 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 005183 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 002080 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 013030 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 119801 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 048775 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 065618 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 009206 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 043464 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=C1 110500 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.21 O=C(O)C1=CC=C(I)C(F)=C1 078055 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 078581 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.21 O=C(O)C1=CC=C(O)C(Br)=C1 240961 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 018380 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 079491 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 019003 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 024806 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.22 CC1=CC=C(C(=O)NO)C=C1 180190 [0,1,0,0,0,1|1,0,0]=3 416 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 075282 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 017316 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.22 CC1=CN=C(\C(N)=N\O)C=N1 021825 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 216656 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.22 CNC(=O)C1=CC=C(C)C=C1 342068 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.22 CNC(=O)C1=NC=C(C)N=C1 024487 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 078890 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.22 COC(=O)C1=CC=C(C)C=C1 349109 [0,1,0,0,0,1|1,0,0]=3 424 B11R1.22 COC(=O)C1=CC=C(C)N=C1 024182 [0,1,0,0,0,1|1,0,0]=3 425 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 018826 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.22 COC(=O)C1=CC=C(F)C=C1 006802 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.22 COC(=O)C1=CC=C(I)C=C1 079685 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.22 COC(=O)C1=CC=C(N)C=C1 035825 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.22 COC(=O)C1=CC=C(O)C=C1 209090 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 182137 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 040655 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 011192 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.22 COC(=O)C1=CN=C(N)C=C1 013413 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.22 COC(=O)C1=CN=C(N)N=C1 078770 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.22 COC(=O)C1=COC(=O)C=C1 067076 [0,1,0,0,0,1|1,1,0]=4 436 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 035935 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.22 COC(=O)C1=NC=C(C)C=C1 209069 [0,1,0,0,0,1|1,0,0]=3 438 B11R1.22 COC(=O)C1=NC=C(C)N=C1 020105 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 066992 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.22 COC(=O)C1=NC=C(O)C=C1 070001 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.22 COC(=O)C1=NC=C(O)N=C1 076343 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.166 CC(=O)C1=CC=C(C)C=C1F 241915 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 018293 [0,1,0,0,0,1|1,0,0]=3 444 B11R1.166 CC1=CC(Br)=C(C(N)=O)C=C1 102871 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.166 CC1=CC(Br)=CC=C1C(=O)O 038286 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 044544 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O 018393 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.166 CC1=CC(F)=C(C(=O)Cl)C=C1 062680 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 037151 [0,1,0,0,0,1|1,0,0]=3 450 B11R1.166 CC1=CC(F)=C(C(N)=O)C=C1 342633 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.166 CC1=CC(F)=CC=C1C(=O)O 037155 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 033235 [0,1,0,0,0,1|1,0,0]=3 453 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 024518 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 036484 [0,1,0,0,0,1|1,0,0]=3 455 B11R1.166 CC1=CC(O)=CC=C1C(=O)O 214648 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 014685 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.166 CC1=CC=C(C(=O)Cl)C(Cl)=C1 038125 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=C1 038124 [0,1,0,0,0,1|1,0,0]=3 459 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 065897 [0,1,0,0,0,1|1,0,0]=3 460 B11R1.166 CC1=CC=C(C(N)=O)C(C)=C1 091230 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 092382 [0,1,0,0,0,1|1,0,0]=3 462 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 011358 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 003979 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.166 NC1=CC(Br)=CC=C1C(=O)O 036686 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 033228 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 033426 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.166 NC1=CC(I)=CC=C1C(=O)O 036687 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 078671 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 044457 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 005470 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 038128 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=N1 043840 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 062528 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 004428 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.166 O=C(O)C1=C(Cl)C=C(I)C=C1 043525 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.166 O=C(O)C1=C(Cl)N=C(O)C=C1 076573 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 008669 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 004430 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 001917 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.166 O=C(O)C1=C(F)C=C(F)C=N1 046203 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 038270 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 033080 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 043396 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 010305 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.166 O=C(O)C1=CC=C(Br)N=C1F 500981 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1Br 018254 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1Cl 078692 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1O 018377 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl 011683 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.166 O=C(O)C1=CC=C(O)C=C1O 209146 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F 047658 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br 047656 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 049609 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.39 CC1=NC(CC(=O)NN)=CS1 009916 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 066185 [0,1,0,0,0,1|1,0,0]=3 496 B11R1.23 CC1=CC(\C(N)=N\O)=CC=C1 017315 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.23 CCC(=O)C1=CC=CC(C)=C1 240661 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.23 CNC(=O)C1=CC(C)=CC=C1 094995 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 017390 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 236597 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.23 COC(=O)C1=CC(C)=CC=C1 358396 [0,1,0,0,0,1|1,0,0]=3 502 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 013133 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.23 COC(=O)C1=CC(F)=CC=C1 009502 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.23 COC(=O)C1=CC(I)=CC=C1 037328 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.23 COC(=O)C1=CC(O)=CN=C1 009282 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 155102 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 243026 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.23 COC(=O)C1=CC=CC(N)=C1 038247 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.23 COC(=O)C1=CC=CC(O)=C1 078900 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.23 COC(=O)C1=CN=CC(C)=C1 078340 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.23 COC(=O)C1=NC(C)=CC=C1 032619 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 043009 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 066860 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 080350 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 037867 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 038171 [0,1,0,0,0,1|1,0,0]=3 517 B11R1.74 CC1=CC(C(=O)Cl)=CC(Cl)=C1 062745 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.74 CC1=CC(C(=O)Cl)=CC(F)=C1 062682 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 225100 [0,1,0,0,0,1|1,0,0]=3 520 B11R1.74 CC1=CC(C(N)=O)=CC(F)=C1 094069 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 014687 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 037423 [0,1,0,0,0,1|1,0,0]=3 523 B11R1.74 CC1=CC(C)=CC(C(N)=O)=C1 091233 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=C1 037650 [0,1,0,0,0,1|1,0,0]=3 525 B11R1.74 CC1=CC(F)=CC(C(=O)O)=C1 037154 [0,1,0,0,0,1|1,0,0]=3 526 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 017200 [0,1,0,0,0,1|1,0,0]=3 527 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 038167 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 038164 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 005475 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 046182 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 005560 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 005181 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 033365 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 017205 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 001417 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 112001 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 011691 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.74 O=C(O)C1=CC(O)=CC(F)=C1 209189 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 235192 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 049501 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.74 O=C1C=C(C(=O)O)C=C(O)N1 056519 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 103808 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 216637 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O 018295 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 011627 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.159 CC1=C(C(=O)O)C=CC=C1I 018744 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.159 CC1=C(C)C(C(=O)Cl)=CC=C1 066661 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.159 CC1=C(C)C(C(N)=O)=CC=C1 091231 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.159 CC1=C(Cl)C(C(=O)Cl)=CC=C1 062749 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.159 CC1=C(F)C=CC=C1C(=O)O 037153 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.159 CC1=C(N)C=CC=C1C(=O)O 078644 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 079044 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.159 CC1=C(O)C=CC=C1C(=O)O 078643 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1F 062679 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br 112800 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.159 CC1=CC=CC(C(=O)O)=C1C 001048 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.159 CC1=CC=CC(C(=O)O)=C1Cl 120200 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 034859 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.159 CC1=CC=CC(C(=O)O)=C1I 148700 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.159 CC1=CC=CC(C(=O)O)=C1N 023905 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.159 CC1=CC=CC(C(N)=O)=C1Br 403276 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.159 CC1=CC=CC(C(N)=O)=C1Cl 094065 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O 040654 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 040187 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.159 NC1=C(Cl)C=CC=C1C(=O)O 077502 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 037148 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.159 NC1=C(I)C=CC=C1C(=O)O 091956 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 077960 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 329962 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 005469 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 062765 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 001164 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 005185 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 005473 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 004429 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 013130 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 001858 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 038269 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 013028 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.159 O=C(O)C1=CC=CC(Br)=C1O 076295 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Br 038275 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O 079645 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.159 O=C(O)C1=CC=CC(O)=C1O 092005 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.159 O=C(O)C1=CC=NC(Br)=C1F 323712 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.167 CC(=O)C1=C(C)C=CC(C)=C1 002546 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 006272 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.167 CC(=O)C1=CC(C)=CC=C1O 227889 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 042885 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 002249 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.167 CC1=CC(C(=O)Cl)=C(I)C=C1 103362 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 112810 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 044556 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 013846 [0,1,0,0,0,1|1,0,0]=3 594 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 148705 [0,1,0,0,0,1|1,0,0]=3 595 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 011365 [0,1,0,0,0,1|1,0,0]=3 596 B11R1.167 CC1=CC(C(N)=O)=C(Br)C=C1 102884 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.167 CC1=CC(C(N)=O)=C(I)C=C1 103461 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.167 CC1=CC=C(C)C(C(=O)Cl)=C1 062603 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.167 CC1=CC=C(C)C(C(N)=O)=C1 091229 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 018395 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.167 CC1=CC=C(I)C=C1C(=O)O 038168 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.167 CC1=CC=C(N)C(C(N)=O)=C1 092228 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.167 CC1=CC=C(O)C(C(=O)O)=C1 222122 [0,1,0,0,0,1|1,0,0]=3 604 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 018242 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 011364 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 003126 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 011772 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 020066 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 005488 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.167 NC1=CC=C(I)C=C1C(=O)O 065839 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 065629 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O 049668 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 005471 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 112000 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.167 O=C(O)C1=C(Br)C=NC(Br)=C1 033263 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 075288 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 008647 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 009093 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 033569 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 005477 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 005182 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 001934 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 013023 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.167 O=C(O)C1=C(F)C=NC(Br)=C1 219540 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.167 O=C(O)C1=C(F)C=NC(Cl)=C1 092393 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 112100 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 119810 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 001665 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 236790 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O 078566 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl 036867 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.167 O=C(O)C1=CC(Br)=CNC1=O 045185 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Br 018255 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Cl 079000 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1O 079860 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F 033572 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O 017239 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 045315 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1Cl 023599 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.167 O=C(O)C1=CC(F)=NC=C1F 094469 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.167 O=C(O)C1=CC(I)=CC=C1I 005559 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.167 O=C(O)C1=CC(I)=CC=C1O 216852 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.167 O=C(O)C1=CC(I)=CN=C1Cl 065960 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.167 O=C(O)C1=CC(O)=CC=C1I 305547 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 047534 [0,1,0,0,0,1|1,0,1]=4 646 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 240694 [0,1,0,0,0,1|1,0,1]=4 647 B11R1.266 COC1=CC(C(=O)Cl)=CC=C1 018779 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.266 COC1=CC(C(=O)O)=CC=C1 334012 [0,1,0,0,0,1|1,0,0]=3 649 B11R1.266 COC1=CC(C(=O)O)=NC=C1 077250 [0,1,0,0,0,1|1,0,0]=3 650 B11R1.266 COC1=CC=CC(C(C)=O)=C1 021712 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.266 COC1=CC=CC(C(N)=O)=C1 545201 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 013809 [0,1,0,0,0,1|1,0,1]=4 653 B11R1.266 NC(=O)C1=CC=CC(CBr)=C1 221071 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 092194 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 317440 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 043285 [0,1,0,0,0,1|1,0,0]=3 657 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 077878 [0,1,0,0,0,1|1,0,0]=3 658 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 078661 [0,1,0,0,0,1|1,0,1]=4 659 B11R1.15 CCOC(=O)C1=CC=C(C)S1 362445 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 043003 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.15 CCOC(=O)C1=CSC(C)=N1 078014 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.15 CCOC(=O)C1=CSC(N)=N1 017326 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.15 CCOC(=O)C1=CSC(N)=N1 031015 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.15 CCOC(=O)C1=NNC(C)=C1 047543 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.44 COC(=O)C1=CC=C(CCl)O1 010649 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.225 COC(=O)C1=C(Cl)SC(Cl)=C1 103626 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 014037 [0,2,0,0,0,0|0,0,0]=2 668 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 018021 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.865 COC(=O)C1=C(I)C(C)=CS1 023922 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 018020 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.48 CCN1N=C(C(=O)O)C=C1C 033588 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.50 CCC1=NN(C)C(C(=O)O)=C1 058551 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.50 CCN1C=C(C(=O)O)C(C)=N1 014579 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.175 CC(=O)C1=CC=C(C(=O)O)S1 225758 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.175 CC(=O)C1=NNC(C(=O)O)=C1 239365 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.49 CCN1N=C(C)C=C1C(=O)O 017473 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl 014544 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O 031664 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.673 CC1=NN(C)C(Cl)=C1C(=O)O 066235 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.6 O=C(O)C1=CC=CC=C1 102544 [0,0,1,1,0,0|1,0,1]=4 681 B9R1.6 O=C(O)C1=CC=CC=C1 237766 [0,0,1,1,0,0|1,0,1]=4 682 B9R1.6 O=C(O)C1=CC=CN=C1 106451 [0,0,1,1,0,0|1,0,1]=4 683 B9R1.6 O=C(O)C1=CN=CC=C1 214893 [0,0,1,1,0,0|1,0,1]=4 684 B9R1.6 O=C(O)C1=CN=CN=C1 023569 [0,0,1,1,0,0|2,0,0]=4 685 B9R1.2 C(=O)C1=CC(Br)=CC=C1 003060 [1,0,0,0,0,1|2,0,0]=4 686 B9R1.2 C(=O)C1=CC(C)=CC=C1 001390 [1,0,0,0,0,1|1,0,0]=3 687 B9R1.2 CC1=CC(C=O)=NC=C1 033041 [1,0,0,0,0,1|1,0,0]=3 688 B9R1.2 CC1=CC=CC(C=O)=N1 021900 [1,0,0,0,0,1|2,0,0]=4 689 B9R1.2 CC1=CC=CC(CO)=C1 102453 [1,0,0,0,0,1|1,0,1]=4 690 B9R1.2 O=CC1=CC(Br)=CN=C1 037001 [1,0,0,0,0,1|2,0,0]=4 691 B9R1.2 O=CC1=CC(Cl)=CC=C1 032762 [1,0,0,0,0,1|2,0,0]=4 692 B9R1.2 O=CC1=CC(F)=CC=C1 001668 [1,0,0,0,0,1|2,0,0]=4 693 B9R1.2 O=CC1=CC(F)=NC=C1 036282 [1,0,0,0,0,1|2,0,0]=4 694 B9R1.2 O=CC1=CC(O)=CC=C1 044196 [1,0,0,0,0,1|2,0,0]=4 695 B9R1.2 O=CC1=CC=CC(I)=C1 079137 [1,0,0,0,0,1|2,0,0]=4 696 B9R1.2 O=CC1=NC=CC(Br)=C1 077333 [1,0,0,0,0,1|2,0,0]=4 697 B9R1.13 O=C(O)CC1=CC=CS1 044684 [1,0,0,0,0,1|2,0,0]=4 698 B9R1.13 O=C(O)CC1=CSC=C1 079138 [1,0,0,0,0,1|0,0,0]=2 699 B9R1.13 O=C(O)CN1C=CC=C1 310772 [1,0,0,0,0,1|2,0,0]=4 700 B9R1.13 O=C(O)CN1C=CN=C1 021292 [1,0,0,0,0,1|2,0,0]=4 701 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [0,0,0,0,0,2|2,0,0]=4 702 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 154805 [0,0,0,0,0,2|2,0,0]=4 703 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 014710 [0,0,0,0,0,2|2,0,0]=4 704 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 001394 [0,0,0,0,0,2|1,0,0]=3 705 B11R1.20 CC1=CC=C(CC(N)=O)C=C1 103194 [0,0,0,0,0,2|2,0,0]=4 706 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 018865 [0,0,0,0,0,2|2,0,0]=4 707 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 043462 [0,0,0,0,0,2|2,0,0]=4 708 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 001227 [0,0,0,0,0,2|2,0,0]=4 709 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 046149 [0,0,0,0,0,2|2,0,0]=4 710 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 040291 [0,0,0,0,0,2|2,0,0]=4 711 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 001294 [0,0,0,0,0,2|2,0,0]=4 712 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 038713 [0,0,0,0,0,2|2,0,0]=4 713 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 003630 [0,0,0,0,0,2|2,0,0]=4 714 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 494205 [0,0,0,0,0,2|2,0,0]=4 715 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 060504 [0,0,0,0,0,2|2,0,0]=4 716 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 094704 [0,0,0,0,0,2|2,0,0]=4 717 B11R1.157 CC(=O)NC1=CC(C)=CC=N1 032647 [0,0,0,0,0,2|2,0,0]=4 718 B11R1.157 CC1=CC(CC(=O)Cl)=CC=C1 014709 [0,0,0,0,0,2|2,0,0]=4 719 B11R1.157 CC1=CC(NC(N)=O)=CC=C1 018864 [0,0,0,0,0,2|2,0,0]=4 720 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 001325 [0,0,0,0,0,2|1,0,0]=3 721 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 043387 [0,0,0,0,0,2|2,0,0]=4 722 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 001134 [0,0,0,0,0,2|2,0,0]=4 723 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 046146 [0,0,0,0,0,2|2,0,0]=4 724 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 001293 [0,0,0,0,0,2|2,0,0]=4 725 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 079029 [0,0,0,0,0,2|2,0,0]=4