0 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 180299 [0,0,0,0,0,0|2,1,0]=3 3 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 060374 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 030161 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.18 CN1CC2=CC=CC=C2C1N 102477 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 BrC1=CNC2=CC=CN=C12 048860 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 CC1=CNC2=CC=CC=C12 068788 [1,0,0,0,0,0|1,0,0]=2 9 B11R2.1 CC1=COC2=CC=CC=C12 013629 [1,0,0,0,0,0|0,0,0]=1 10 B11R2.1 CC1=CSC2=CC=CC=C12 018819 [1,0,0,0,0,0|0,1,0]=2 11 B11R2.1 CC1CNC2=C1C=CC=C2 209516 [1,0,0,0,0,0|1,0,2]=4 12 B11R2.1 CN1C=CC2=C1C=CC=C2 208790 [1,0,0,0,0,0|2,0,0]=3 13 B11R2.1 CN1C=NC2=CC=CC=C21 222302 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 CN1N=NC2=CC=CC=C21 018820 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 ClC1=NNC2=C1C=CC=C2 076553 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 ClC1=NOC2=CC=CC=C21 067548 [1,0,0,0,0,0|2,0,0]=3 17 B11R2.1 IC1=CN=C2C=CC=CN12 046105 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 NC1=NCC2=CC=CC=C21 387383 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 NC1=NNC2=C1C=CC=C2 047410 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 O=C1CCC2=C1C=CC=C2 036208 [1,0,0,0,0,0|2,0,1]=4 21 B11R2.1 O=C1COC2=CC=CC=C12 069095 [1,0,0,0,0,0|1,0,1]=3 22 B11R2.1 O=C1NCC2=C1C=CC=C2 091909 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.1 O=C1NSC2=CC=CC=C12 078756 [1,0,0,0,0,0|2,1,0]=4 24 B11R2.1 O=C1OCC2=C1C=CC=C2 091677 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.1 O=C1SSC2=C1C=CC=C2 099152 [1,0,0,0,0,0|2,1,0]=4 26 B11R2.1 OC1=NOC2=CC=CC=C21 017185 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 078866 [1,0,0,0,0,0|2,0,0]=3 28 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 046526 [1,0,0,0,0,0|1,0,0]=2 29 B11R2.10 BrC1=CC2=CC=CC=C2S1 221706 [1,0,0,0,0,0|1,1,0]=3 30 B11R2.10 BrC1=CN2C=CC=CC2=N1 076868 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.10 CC1=CC2=C(C=CC=C2)C1 222644 [1,0,0,0,0,0|1,0,0]=2 32 B11R2.10 CC1=CC2=C(C=CC=C2)S1 013664 [1,0,0,0,0,0|0,1,0]=2 33 B11R2.10 CC1=CC2=CC=CC=C2N1 003402 [1,0,0,0,0,0|1,0,0]=2 34 B11R2.10 CC1=NC2=CC=CC=C2N1 002989 [1,0,0,0,0,0|2,0,0]=3 35 B11R2.10 CC1=NC2=CC=CC=C2S1 222061 [1,0,0,0,0,0|1,1,0]=3 36 B11R2.10 CC1CC2=C(C=CC=C2)N1 221619 [1,0,0,0,0,0|1,0,2]=4 37 B11R2.10 ClC1=NC2=CC=CC=C2N1 010656 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.10 ClC1=NC2=CC=CC=C2O1 078922 [1,0,0,0,0,0|2,0,0]=3 39 B11R2.10 ClC1=NC2=CC=CC=C2S1 013472 [1,0,0,0,0,0|2,1,0]=4 40 B11R2.10 NC1=NC2=C(C=CC=C2)O1 043838 [1,0,0,0,0,0|2,0,0]=3 41 B11R2.10 NC1=NC2=CC=CC=C2N1 064965 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.10 NC1=NC2=CC=CC=C2S1 078504 [1,0,0,0,0,0|2,1,0]=4 43 B11R2.10 O=C1CC2=C(C=CC=C2)C1 045209 [1,0,0,0,0,0|2,0,1]=4 44 B11R2.10 O=C1CC2=C(C=CC=C2)N1 093498 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.10 O=C1CC2=CC=CC=C2O1 208814 [1,0,0,0,0,0|1,0,1]=3 46 B11R2.10 O=C1NC2=CC=CC=C2O1 077983 [1,0,0,0,0,0|2,0,0]=3 47 B11R2.10 O=C1NC2=CC=CC=C2S1 009676 [1,0,0,0,0,0|2,1,0]=4 48 B11R2.10 OC1=NC2=CC=CC=C2N1 002990 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.10 S=C1NC2=CC=CC=C2S1 362022 [1,0,0,0,0,0|2,1,0]=4 50 B11R2.10 SC1=NC2=C(C=CC=C2)O1 040166 [1,0,0,0,0,0|2,0,0]=3 51 B11R2.10 SC1=NC2=C(C=CC=C2)S1 024775 [1,0,0,0,0,0|2,1,0]=4 52 B11R2.10 SC1=NC2=CC=CC=C2N1 068818 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.45 CC1=C(C=O)SC2=CC=CC=C21 023325 [0,1,0,0,0,0|0,1,1]=3 54 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O 222653 [0,1,0,0,0,0|2,0,1]=4 55 B13R2.45 CN1C(C=O)=CC2=CC=CC=C21 065313 [0,1,0,0,0,0|2,0,1]=4 56 B13R2.45 CN1C2=CC=CC=C2N=C1C=O 065315 [0,1,0,0,0,0|2,0,1]=4 57 B13R2.135 CC1=C(C#N)C2=C(C=CC=C2)N1 092198 [0,1,0,0,0,0|1,0,1]=3 58 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 065307 [0,1,0,0,0,0|1,0,1]=3 59 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O 336656 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 040345 [0,1,0,0,0,0|2,0,1]=4 61 B13R2.135 S=C1SC2=CC=CC=C2N1CCl 009672 [0,1,0,0,0,0|2,1,0]=4 62 B13R2.359 CC1=NC2=C(C=CC=C2)C1(C)C 078939 [0,1,0,0,0,0|1,0,1]=3 63 B13R2.3028 CC1=C(Br)SC2=CC=C(Cl)C=C21 017044 [0,1,0,0,0,0|1,1,0]=3 64 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O 093452 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 060624 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 001745 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 008155 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 013160 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 011197 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O 018866 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.3085 O=C1C(=O)N(Cl)C2=C1C=CC=C2 069843 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 040728 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O 036369 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 010208 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.4856 CC1=C(C)C2=C(N=CNC2=O)S1 017434 [0,1,0,0,0,0|2,1,0]=4 76 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 049137 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O 040367 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 092296 [0,0,1,0,0,0|1,0,1]=3 79 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 242623 [0,0,1,0,0,0|1,0,1]=3 80 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 154800 [0,0,1,0,0,0|1,0,1]=3 81 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 003400 [0,0,1,0,0,0|2,0,1]=4 82 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 093725 [0,0,1,0,0,0|1,0,1]=3 83 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 236802 [0,0,1,0,0,0|2,0,1]=4 84 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 341736 [0,0,1,0,0,0|3,0,0]=4 85 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 034471 [0,0,1,0,0,0|1,0,1]=3 86 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 093739 [0,0,1,0,0,0|2,0,1]=4 87 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 M03223 [0,0,1,0,0,0|2,0,1]=4 88 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 M03226 [0,0,1,0,0,0|2,0,1]=4 89 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 024966 [0,0,1,0,0,0|2,0,0]=3 90 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 036983 [0,0,1,0,0,0|2,0,1]=4 91 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 093723 [0,0,1,0,0,0|2,0,1]=4 92 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 046847 [0,0,1,0,0,0|2,0,1]=4 93 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 093732 [0,0,1,0,0,0|2,0,1]=4 94 B11R1.40 C=CC(=O)NC1=CC=CC=C1 320028 [0,0,1,0,0,0|2,0,1]=4 95 B11R1.40 C=CC(=O)OC1=CC=CC=C1 461814 [0,0,1,0,0,0|1,0,1]=3 96 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [0,0,1,0,0,0|3,0,0]=4 98 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [0,0,1,0,0,0|2,0,0]=3 99 B11R1.40 CNC(=S)NC1=CC=CC=C1 018860 [0,0,1,0,0,0|3,0,0]=4 100 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 531267 [0,0,1,0,0,0|2,0,1]=4 101 B11R1.40 O=C(CBr)OC1=CC=CC=C1 235583 [0,0,1,0,0,0|2,0,1]=4 102 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 321306 [0,0,1,0,0,0|3,0,0]=4 103 B11R1.41 CCOC1=C(C#N)C=CC=C1 018661 [0,0,1,0,0,0|1,0,2]=4 104 B11R1.41 CCOC1=C(C=O)C=CC=C1 420802 [0,0,1,0,0,0|1,0,1]=3 105 B11R1.41 CCOC1=CC=CC=C1CN 075294 [0,0,1,0,0,0|1,0,2]=4 106 B11R1.41 CCOC1=CC=CC=C1OC 329273 [0,0,1,0,0,0|1,0,1]=3 107 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 520894 [0,0,1,0,0,0|1,0,1]=3 108 B11R1.222 CCC(C)C1=C(O)C=CC=C1 099269 [0,0,1,0,0,0|0,0,2]=3 109 B11R1.222 CCC(C)C1=CC=CC=C1N 320033 [0,0,1,0,0,0|1,0,2]=4 110 B11R1.222 CNC(=O)C1=C(Cl)C=CC=C1 102258 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 181799 [0,0,1,0,0,0|3,0,0]=4 112 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 374495 [0,0,1,0,0,0|2,0,0]=3 113 B11R1.222 CNC(=O)C1=CC=CC=C1Br 234361 [0,0,1,0,0,0|3,0,0]=4 114 B11R1.222 CNC(=O)C1=CC=CC=C1C 215382 [0,0,1,0,0,0|3,0,0]=4 115 B11R1.222 CNC(=O)C1=CC=CC=C1F 474578 [0,0,1,0,0,0|3,0,0]=4 116 B11R1.222 CNC(=O)C1=CC=CC=C1N 018186 [0,0,1,0,0,0|3,0,0]=4 117 B11R1.222 COC(=O)C1=C(C)C=CC=C1 018884 [0,0,1,0,0,0|3,0,0]=4 118 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 018825 [0,0,1,0,0,0|3,0,0]=4 119 B11R1.222 COC(=O)C1=C(F)C=CC=C1 006801 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.222 COC(=O)C1=C(I)C=CC=C1 005544 [0,0,1,0,0,0|3,0,0]=4 121 B11R1.222 COC(=O)C1=C(S)C=CC=C1 008066 [0,0,1,0,0,0|2,1,0]=4 122 B11R1.222 COC(=O)C1=CC=CC=C1Br 079461 [0,0,1,0,0,0|3,0,0]=4 123 B11R1.222 COC(=O)C1=CC=CC=C1O 066745 [0,0,1,0,0,0|2,0,0]=3 124 B11R1.222 COC(=O)C1=CC=CN=C1O 066889 [0,0,1,0,0,0|3,0,0]=4 125 B11R1.222 COC(=O)C1=CC=NC=C1O 091518 [0,0,1,0,0,0|3,0,0]=4 126 B11R1.222 C\C(=N/O)C1=CC=CC=C1Cl 076003 [0,0,1,0,0,0|3,0,0]=4 127 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 018713 [0,0,1,0,0,0|3,0,0]=4 128 B11R1.222 N\C(=N/O)C1=CC=CC=C1O 040178 [0,0,1,0,0,0|3,0,0]=4 129 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 448702 [0,0,1,0,0,0|2,0,1]=4 130 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 009010 [0,0,0,0,0,1|2,0,0]=3 131 B13R2.32 CC1=CC=C2C=CC=CC2=C1Br 321883 [0,0,0,0,0,1|2,0,0]=3 132 B13R2.32 CC1=CC=C2C=CC=CC2=C1O 078657 [0,0,0,0,0,1|2,0,0]=3 133 B13R2.32 NC1=C2C=CC=CC2=CC=C1Br 318213 [0,0,0,0,0,1|3,0,0]=4 134 B13R2.32 NC1=C2C=CC=CC2=CC=C1O 079515 [0,0,0,0,0,1|3,0,0]=4 135 B13R2.32 O=C1C(Br)=COC2=CC=CC=C12 012055 [0,0,0,0,0,1|2,0,0]=3 136 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br 093063 [0,0,0,0,0,1|3,0,0]=4 137 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br 079704 [0,0,0,0,0,1|3,0,0]=4 138 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 180254 [0,0,0,0,0,1|1,0,0]=2 139 B13R2.328 CC1=CC(Cl)=NC2=C1C=CC=C2 236951 [0,0,0,0,0,1|2,0,0]=3 140 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 319973 [0,0,0,0,0,1|2,0,0]=3 141 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 216596 [0,0,0,0,0,1|2,0,0]=3 142 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 223437 [0,0,0,0,0,1|2,0,0]=3 143 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 068834 [0,0,0,0,0,1|2,0,0]=3 144 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Cl)=N1 093224 [0,0,0,0,0,1|3,0,0]=4 145 B13R2.328 ClC1=NC(Cl)=C2C=CC=CC2=N1 047662 [0,0,0,0,0,1|3,0,0]=4 146 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)N1 217675 [0,0,0,0,0,1|3,0,0]=4 147 B13R2.328 NC1=CC2=C(C=CC=C2)C(Br)=N1 038835 [0,0,0,0,0,1|3,0,0]=4 148 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 209309 [0,0,0,0,0,1|2,0,0]=3 149 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 329152 [0,0,0,0,0,1|3,0,0]=4 150 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 076838 [0,0,0,0,0,1|3,0,0]=4 151 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 233677 [0,0,0,0,0,1|2,0,0]=3 152 B13R2.328 O=C1NC(S)=NC2=C1C=CC=C2 372226 [0,0,0,0,0,1|3,0,0]=4 153 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 091215 [0,0,0,0,0,1|3,0,0]=4 154 B13R2.328 OC1=CC(O)=NC2=C1C=CC=C2 209285 [0,0,0,0,0,1|3,0,0]=4 155 B13R2.369 CC1=C(Cl)N=C2C=CC=CC2=N1 040338 [0,0,0,0,0,1|2,0,0]=3 156 B13R2.369 CC1=CC2=CC=CC=C2C=[N+]1C 182243 [0,0,0,0,0,1|2,0,0]=3 157 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1O 237570 [0,0,0,0,0,1|2,0,0]=3 158 B13R2.369 ClC1=C(Cl)N=C2C=CC=CC2=N1 049506 [0,0,0,0,0,1|3,0,0]=4 159 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N 236796 [0,0,0,0,0,1|3,0,0]=4 160 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 092678 [0,0,0,0,0,1|3,0,0]=4 161 B13R2.369 OC1=C(O)C=C2C=CC=CC2=C1 209264 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [1,0,1,0,0,0|0,0,2]=4 163 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [1,0,1,0,0,0|1,0,1]=4 164 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [1,0,1,0,0,0|0,0,2]=4 165 B10R1.15 CCN(C)C1=CC=CC=C1 092421 [1,0,1,0,0,0|1,0,1]=4 166 B10R1.15 CN(C=O)C1=CC=CC=C1 208822 [1,0,1,0,0,0|1,0,1]=4 167 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [1,0,1,0,0,0|2,0,0]=4 168 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [1,0,1,0,0,0|2,0,0]=4 169 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [1,0,1,0,0,0|1,0,1]=4 170 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [1,0,1,0,0,0|1,0,1]=4 171 B10R1.15 COC(=O)C1=CC=CC=C1 223218 [1,0,1,0,0,0|2,0,0]=4 172 B10R1.15 C\C(=N/O)C1=CC=CN=C1 075987 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.15 C\C(=N/O)C1=CC=NC=C1 076004 [1,0,1,0,0,0|2,0,0]=4 174 B10R1.15 C\C(=N/O)C1=NC=CC=C1 075986 [1,0,1,0,0,0|2,0,0]=4 175 B10R1.15 N\C(=N/O)C1=CC=CC=C1 067963 [1,0,1,0,0,0|2,0,0]=4 176 B10R1.15 N\C(=N/O)C1=CC=CC=C1 097873 [1,0,1,0,0,0|2,0,0]=4 177 B10R1.15 N\C(=N\O)C1=CC=CC=C1 106200 [1,0,1,0,0,0|2,0,0]=4 178 B10R1.15 O=C(CO)C1=CC=CC=C1 219236 [1,0,1,0,0,0|1,0,1]=4 179 B10R1.15 O=C(NO)C1=CC=CC=C1 317419 [1,0,1,0,0,0|2,0,0]=4 180 B10R1.15 O=CC(=O)C1=CC=CC=C1 454875 [1,0,1,0,0,0|1,0,1]=4 181 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [1,0,1,0,0,0|1,0,1]=4 182 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [1,0,1,0,0,0|1,0,1]=4 183 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [1,0,1,0,0,0|1,0,0]=3 184 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [1,0,1,0,0,0|1,0,1]=4 185 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [1,0,1,0,0,0|1,0,1]=4 186 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [1,0,1,0,0,0|0,0,1]=3 187 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [1,0,1,0,0,0|0,0,2]=4 188 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [1,0,1,0,0,0|2,0,0]=4 189 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [1,0,1,0,0,0|0,0,2]=4 190 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [1,0,1,0,0,0|0,0,2]=4 191 B10R1.18 N=C(O)NC1=CC=CC=C1 364335 [1,0,1,0,0,0|2,0,0]=4 192 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [1,0,1,0,0,0|2,0,0]=4 193 B10R1.18 O=C(Cl)OC1=CC=CC=C1 235668 [1,0,1,0,0,0|2,0,0]=4 194 B10R1.18 S=C(Cl)OC1=CC=CC=C1 046963 [1,0,1,0,0,0|2,0,0]=4 195 B10R1.17 C=CCOC1=CC=CC=C1 242682 [1,0,1,0,0,0|0,0,2]=4 196 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [1,0,1,0,0,0|2,0,0]=4 197 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [1,0,1,0,0,0|2,0,0]=4 198 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [1,0,1,0,0,0|0,0,2]=4 199 B10R1.4 CC1=CC=CC=C1NC=O 180097 [1,0,1,0,0,0|2,0,0]=4 200 B10R1.4 CCNC1=CC=CC=C1C 243028 [1,0,1,0,0,0|1,0,1]=4 201 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [1,0,1,0,0,0|1,0,1]=4 202 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [1,0,1,0,0,0|0,0,1]=3 203 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [1,0,1,0,0,0|1,0,1]=4 204 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [1,0,1,0,0,0|1,0,1]=4 205 B10R1.4 CCOC1=CC=CC=C1O 216685 [1,0,1,0,0,0|1,0,1]=4 206 B10R1.20 C=CC1=CC=CC=C1C=C 245965 [1,0,1,0,0,0|0,0,2]=4 207 B10R1.20 CCC1=C(SC)C=CC=C1 094763 [1,0,1,0,0,0|0,1,1]=4 208 B10R1.20 CCC1=CC=CC=C1C=O 092103 [1,0,1,0,0,0|1,0,1]=4 209 B10R1.20 CNC1=C(OC)C=CC=C1 009652 [1,0,1,0,0,0|1,0,0]=3 210 B10R1.20 COC1=C(CN)C=CC=C1 008875 [1,0,1,0,0,0|1,0,1]=4 211 B10R1.20 COC1=C(CO)C=CC=C1 033710 [1,0,1,0,0,0|1,0,1]=4 212 B10R1.20 COC1=C(SC)C=CC=C1 008048 [1,0,1,0,0,0|1,0,0]=3 213 B10R1.20 COC1=CC=CC=C1C#N 033909 [1,0,1,0,0,0|1,0,1]=4 214 B10R1.20 COC1=CC=CC=C1C=O 242823 [1,0,1,0,0,0|1,0,0]=3 215 B10R1.20 COC1=CC=CC=C1CN 079872 [1,0,1,0,0,0|1,0,1]=4 216 B10R1.20 COC1=CC=CC=C1OC 079036 [1,0,1,0,0,0|1,0,0]=3 217 B10R1.20 CSC1=C(C=O)C=CC=C1 103584 [1,0,1,0,0,0|1,1,0]=4 218 B10R1.20 O=CC1=C(C=O)C=CC=C1 037868 [1,0,1,0,0,0|2,0,0]=4 219 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 035873 [1,0,1,0,0,0|2,0,0]=4 220 B10R1.61 CC(=O)C1=C(F)C=CC=C1 001616 [1,0,1,0,0,0|2,0,0]=4 221 B10R1.61 CC(=O)C1=CC=CC=C1Cl 003397 [1,0,1,0,0,0|2,0,0]=4 222 B10R1.61 CC(=O)C1=CC=CC=C1I 075032 [1,0,1,0,0,0|2,0,0]=4 223 B10R1.61 CC(=O)C1=CC=CC=C1N 076856 [1,0,1,0,0,0|2,0,0]=4 224 B10R1.61 CC(=O)C1=CC=CC=C1O 078584 [1,0,1,0,0,0|1,0,0]=3 225 B10R1.61 CC(C)C1=C(Br)C=CC=C1 009741 [1,0,1,0,0,0|1,0,1]=4 226 B10R1.61 CC(C)C1=C(I)C=CC=C1 001198 [1,0,1,0,0,0|1,0,1]=4 227 B10R1.61 CC(C)C1=C(N)C=CC=C1 033911 [1,0,1,0,0,0|1,0,1]=4 228 B10R1.61 CC(C)C1=CC=CC=C1O 208839 [1,0,1,0,0,0|0,0,1]=3 229 B10R1.61 CC(C)C1=CC=CC=C1S 023120 [1,0,1,0,0,0|0,1,1]=4 230 B10R1.61 CN(C)C1=CC=CC=C1Br 215675 [1,0,1,0,0,0|2,0,0]=4 231 B10R1.61 CN(C)C1=CC=CC=C1N 079293 [1,0,1,0,0,0|2,0,0]=4 232 B10R1.61 NC(=O)C1=CC=CC=C1O 091532 [1,0,1,0,0,0|2,0,0]=4 233 B10R1.61 O=C(O)C1=CC=CC=C1O 065853 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.61 O=C(O)C1=CC=CC=C1O 102073 [1,0,1,0,0,0|2,0,0]=4 235 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [2,0,0,0,0,0|1,0,0]=3 236 B10R2.7 C1=CC2=C(C=C1)NN=C2 044571 [2,0,0,0,0,0|2,0,0]=4 237 B10R2.7 C1=CC2=C(C=CN2)N=C1 036833 [2,0,0,0,0,0|2,0,0]=4 238 B10R2.7 C1=CC2=CC=NC=C2N1 040034 [2,0,0,0,0,0|2,0,0]=4 239 B10R2.7 C1=CC2=CN=CC=C2N1 040035 [2,0,0,0,0,0|2,0,0]=4 240 B10R2.7 C1=CC=C2NC=CC2=C1 068792 [2,0,0,0,0,0|1,0,0]=3 241 B10R2.7 C1=CC=C2NC=NC2=C1 235007 [2,0,0,0,0,0|2,0,0]=4 242 B10R2.7 C1=CC=C2OC=CC2=C1 078727 [2,0,0,0,0,0|0,0,0]=2 243 B10R2.7 C1=CC=C2OC=NC2=C1 078910 [2,0,0,0,0,0|1,0,0]=3 244 B10R2.7 C1=CC=C2OCCC2=C1 017117 [2,0,0,0,0,0|0,0,2]=4 245 B10R2.7 C1=CC=C2OCOC2=C1 022089 [2,0,0,0,0,0|1,0,1]=4 246 B10R2.7 C1=CC=C2SC=CC2=C1 003497 [2,0,0,0,0,0|0,1,0]=3 247 B10R2.7 C1=CC=C2SC=NC2=C1 093451 [2,0,0,0,0,0|1,1,0]=4 248 B10R2.7 C1=CN=C2NC=CC2=C1 032720 [2,0,0,0,0,0|2,0,0]=4 249 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 023376 [0,1,1,0,0,0|1,0,1]=4 250 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 077631 [0,1,1,0,0,0|1,0,1]=4 251 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 245810 [0,1,1,0,0,0|1,0,1]=4 252 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 394018 [0,1,1,0,0,0|2,0,0]=4 253 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 209363 [0,1,1,0,0,0|1,0,1]=4 254 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 246440 [0,1,1,0,0,0|0,0,2]=4 255 B12R1.34 C\C(=N/O)C(=O)C1=CC=CC=C1 320741 [0,1,1,0,0,0|1,0,0]=3 256 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 075279 [0,1,1,0,0,0|1,0,1]=4 257 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 235701 [0,1,1,0,0,0|1,0,1]=4 258 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 209415 [0,1,1,0,0,0|1,0,1]=4 259 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 223096 [0,1,1,0,0,0|1,0,1]=4 260 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 175800 [0,1,1,0,0,0|1,0,1]=4 261 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 224641 [0,1,1,0,0,0|1,0,1]=4 262 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 066637 [0,1,1,0,0,0|1,0,1]=4 263 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,1,1,0,0,0|2,0,0]=4 264 B12R1.49 CCC(=O)OC1=CC=C(Br)C=C1 043371 [0,1,1,0,0,0|1,0,1]=4 265 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 014203 [0,1,1,0,0,0|1,0,1]=4 266 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 018704 [0,1,1,0,0,0|1,0,0]=3 267 B12R1.112 CCOC1=CC=C(Br)C=C1C=O 011096 [0,1,1,0,0,0|1,0,1]=4 268 B12R1.112 CCOC1=CC=C(Br)C=C1OC 401120 [0,1,1,0,0,0|1,0,1]=4 269 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 102100 [0,1,1,0,0,0|1,0,1]=4 270 B12R1.121 COC1=CC=CC=C1OCCN 036459 [0,1,1,0,0,0|1,0,1]=4 271 B12R1.169 CCOC1=CC=CC=C1OCC 216686 [0,1,1,0,0,0|0,0,2]=4 272 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 018652 [0,1,1,0,0,0|0,0,1]=3 273 B12R1.283 CCOC1=C(C(N)=O)C=CC=C1 098997 [0,1,1,0,0,0|1,0,1]=4 274 B12R1.542 CCOC1=C(C=O)C(F)=CC=C1 190359 [0,1,1,0,0,0|1,0,1]=4 275 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 066801 [0,1,1,0,0,0|2,0,0]=4 276 B12R1.24 COC(=O)C1=CC=CC(O)=C1O 231092 [0,1,1,0,0,0|2,0,0]=4 277 B12R1.308 CCOC(=O)C1=CC=CC=C1O 240949 [0,1,1,0,0,0|1,0,1]=4 278 B12R1.308 CCOC(=S)C1=CC=CC=C1O 097589 [0,1,1,0,0,0|1,0,1]=4 279 B12R1.354 CCC(=O)C1=CC(Br)=CC=C1O 012088 [0,1,1,0,0,0|1,0,1]=4 280 B12R1.354 CCC(=O)C1=CC(C)=CC=C1O 012086 [0,1,1,0,0,0|1,0,1]=4 281 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O 222398 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O 066792 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.354 COC(=O)C1=CC(I)=CC=C1O 325132 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.354 COC(=O)C1=CC(N)=CC=C1O 232208 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.354 COC(=O)C1=CC(O)=CC=C1O 078706 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O 222920 [0,1,1,0,0,0|2,0,0]=4 287 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1O 066851 [0,1,1,0,0,0|2,0,0]=4 288 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O 066857 [0,1,1,0,0,0|2,0,0]=4 289 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O 093494 [0,1,1,0,0,0|2,0,0]=4 290 B12R1.3441 COC(=O)C1=C(O)C=CC=C1F 006803 [0,1,1,0,0,0|2,0,0]=4 291 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O 156300 [0,1,1,0,0,0|2,0,0]=4 292 B12R2.1 N#CC1=CNC2=CC=CC=C12 019326 [1,1,0,0,0,0|1,0,1]=4 293 B12R2.1 O=CC1=CNC2=C1C=CC=C2 036402 [1,1,0,0,0,0|1,0,1]=4 294 B12R2.1 O=CC1=CSC2=CC=CC=C12 065306 [1,1,0,0,0,0|0,1,1]=4 295 B12R2.1 OCC1=CNC2=C1C=CC=C2 045221 [1,1,0,0,0,0|1,0,0]=3 296 B12R2.1 OCN1C=NC2=CC=CC=C21 336776 [1,1,0,0,0,0|2,0,0]=4 297 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 049846 [1,1,0,0,0,0|0,1,0]=3 298 B12R2.132 CC1=CSC2=CC=C(Cl)C=C12 005326 [1,1,0,0,0,0|0,1,0]=3 299 B12R2.132 CC1=CSC2=CC=C(F)C=C12 008343 [1,1,0,0,0,0|0,1,0]=3 300 B12R2.132 NC1=NOC2=CC=C(Br)C=C21 079971 [1,1,0,0,0,0|2,0,0]=4 301 B12R2.196 CC1=C2ONC(=O)C2=CC=C1 220501 [1,1,0,0,0,0|2,0,0]=4 302 B12R2.203 NC1=NOC2=CC=CC(F)=C21 042829 [1,1,0,0,0,0|2,0,0]=4 303 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 235071 [1,1,0,0,0,0|2,0,0]=4 304 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 023909 [1,1,0,0,0,0|2,0,0]=4 305 B12R2.612 O=C1COC2=CC(O)=CC=C12 069222 [1,1,0,0,0,0|1,0,1]=4 306 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 180164 [1,1,0,0,0,0|1,0,0]=3 307 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 238988 [1,1,0,0,0,0|1,1,0]=4 308 B12R2.32 CSC1=NC2=CC=CC=C2N1 023331 [1,1,0,0,0,0|2,0,0]=4 309 B12R2.32 ClCC1=NC2=CC=CC=C2N1 010651 [1,1,0,0,0,0|2,0,0]=4 310 B12R2.32 NCC1=CC2=C(C=CC=C2)S1 034919 [1,1,0,0,0,0|0,1,0]=3 311 B12R2.32 NCC1=NC2=CC=CC=C2N1 077977 [1,1,0,0,0,0|2,0,0]=4 312 B12R2.32 NCC1=NC2=CC=CC=C2N1 078249 [1,1,0,0,0,0|2,0,0]=4 313 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 013717 [1,1,0,0,0,0|0,1,1]=4 314 B12R2.32 O=CC1=CC2=CC=CC=C2O1 036892 [1,1,0,0,0,0|0,0,1]=3 315 B12R2.32 OCC1=CC2=CC=CC=C2S1 017493 [1,1,0,0,0,0|0,1,0]=3 316 B12R2.32 OCC1=NC2=CC=CC=C2N1 010653 [1,1,0,0,0,0|2,0,0]=4 317 B12R2.32 OCC1=NC2=CC=CC=C2S1 013600 [1,1,0,0,0,0|1,1,0]=4 318 B12R2.606 CC1=CC2=C(C=C1)OC(=O)N2 094105 [1,1,0,0,0,0|2,0,0]=4 319 B12R2.606 CC1=CC2=C(N=CC(Br)=C2)N1 214661 [1,1,0,0,0,0|2,0,0]=4 320 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 023432 [1,1,0,0,0,0|1,0,0]=3 321 B12R2.606 CC1=CC=C2[Se]C(C)=NC2=C1 101840 [1,1,0,0,0,0|1,1,0]=4 322 B12R2.606 CC1=NC2=C(C=C(N)C=C2)S1 046165 [1,1,0,0,0,0|1,1,0]=4 323 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)S1 049155 [1,1,0,0,0,0|1,1,0]=4 324 B12R2.606 CC1=NC2=C(C=CC(O)=C2)S1 311950 [1,1,0,0,0,0|1,1,0]=4 325 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 218358 [1,1,0,0,0,0|2,0,0]=4 326 B12R2.606 CC1=NC2=CC(Cl)=CC=C2[Se]1 181230 [1,1,0,0,0,0|1,1,0]=4 327 B12R2.606 CC1=NC2=CC=C(Cl)C=C2S1 222919 [1,1,0,0,0,0|1,1,0]=4 328 B12R2.606 ClC1=CC=C2N=C(Cl)OC2=C1 092308 [1,1,0,0,0,0|2,0,0]=4 329 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 076787 [1,1,0,0,0,0|2,0,0]=4 330 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 001002 [1,1,0,0,0,0|2,0,0]=4 331 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 358326 [1,1,0,0,0,0|2,0,0]=4 332 B14R2.92 C(=O)C1=COC2=CC=CC=C2C1=O 003431 [0,1,0,0,0,1|1,0,1]=4 333 B14R2.92 COC1=CC=C2C=CC=CC2=C1Br 231149 [0,1,0,0,0,1|2,0,0]=4 334 B14R2.4513 O=C1C(I)=COC2=CC=C(Cl)C=C12 033523 [0,1,0,0,0,1|2,0,0]=4 335 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O 049845 [0,1,0,0,0,1|2,0,0]=4 336 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 242808 [0,1,0,0,0,1|2,0,0]=4 337 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=O)O1 046349 [0,1,0,0,0,1|2,0,0]=4 338 B14R2.1019 CSC1=NC2=CC=CC=C2C(N)=N1 009667 [0,1,0,0,0,1|2,0,0]=4 339 B14R2.1146 O=C1C=C(CBr)C2=C(C=CC=C2)N1 078675 [0,1,0,0,0,1|2,0,0]=4 340 B14R2.8045 CC1=CC(O)=NC2=C1C=CC=C2C 185309 [0,1,0,0,0,1|2,0,0]=4 341 B14R2.8235 CC1CC(=O)C2=CC(F)=CC=C2O1 008563 [0,1,0,0,0,1|1,0,1]=4 342 B14R2.8235 O=C1C=C(O)C2=CC(Br)=CC=C2O1 012114 [0,1,0,0,0,1|2,0,0]=4 343 B14R2.8235 O=C1C=C(O)C2=CC(Cl)=CC=C2O1 012113 [0,1,0,0,0,1|2,0,0]=4 344 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 093391 [0,1,0,0,0,1|1,0,0]=3 345 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 017134 [0,1,0,0,0,1|1,0,0]=3 346 B14R2.29365 CC1=CC(C)=C2C=CC(N)=NC2=N1 017027 [0,1,0,0,0,1|2,0,0]=4 347 B14R2.29365 CC1=NC2=CC(Br)=CC=C2C(Cl)=N1 384948 [0,1,0,0,0,1|2,0,0]=4 348 B14R2.450 CC1=C(C(=O)Cl)OC2=CC=CC=C21 013630 [0,2,0,0,0,0|0,0,1]=3 349 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 018818 [0,2,0,0,0,0|0,0,1]=3 350 B14R2.450 CC1=C(C(=O)[O-])OC2=CC=CC=C21 022117 [0,2,0,0,0,0|0,0,1]=3 351 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 030502 [0,2,0,0,0,0|1,0,0]=3 352 B14R2.19306 CC1=C(C=O)C2=CC=CC=C2N1C 023577 [0,2,0,0,0,0|1,0,1]=4 353 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 066601 [0,0,1,1,0,0|1,0,1]=4 354 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [0,0,1,1,0,0|1,0,1]=4 355 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [0,0,1,1,0,0|1,0,1]=4 356 B12R2.24 CC1=NC2=CC=CC=C2N=C1 303297 [0,0,1,1,0,0|2,0,0]=4 357 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [0,0,1,1,0,0|1,0,1]=4 358 B12R2.24 O=C1CCC2=CC=CC=C2O1 236946 [0,0,1,1,0,0|1,0,1]=4 359 B12R2.1081 CC1=CC=CC2=CC=CC=C12 099064 [0,0,1,1,0,0|1,0,1]=4 360 B12R2.1081 CC1=CC=NC2=CC=CC=C12 079132 [0,0,1,1,0,0|1,0,1]=4 361 B12R2.1081 CC1=NC=NC2=CC=CC=C21 180152 [0,0,1,1,0,0|2,0,0]=4 362 B12R2.1081 O=C1CCOC2=C1C=CC=C2 317966 [0,0,1,1,0,0|1,0,1]=4 363 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 106600 [0,0,1,0,0,1|1,0,1]=4 364 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 320170 [0,0,1,0,0,1|0,0,2]=4 365 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 358190 [0,0,1,0,0,1|1,0,1]=4 366 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 185695 [0,0,1,0,0,1|2,0,0]=4 367 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 242828 [0,0,1,0,0,1|1,0,1]=4 368 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [0,0,1,0,0,1|2,0,0]=4