0 B4R0.1 C=C(C)[Mg]Br OR320150 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C=C(Cl)CBr OR53069 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C=C(Cl)CF PC1025 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C=C(F)CBr PC450149 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C=C(F)CCl PC3775 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C=C(F)CO PC49591 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 CC(=O)CF PC3356 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 CC(=O)NO BIA1030 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(C)[Mg]Br OR320104 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(C)[Mg]Cl OR320108 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CC(F)CF PC7149 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CC(F)CO PC1014 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 CC(O)CF PC7229 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 CC(O)CO OR5249 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 CC=C(F)F PC5668 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 CCC(=O)F PC3875 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 CCC(C)F PC408041 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 CCC(C)N OR5233 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CCC(F)F PC2405 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CNC(C)=S OR322821 [0,0,0,0,0,0|1,1,0]=2 20 B4R0.1 COC(F)F PC7155 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 CS[S+](C)C PC7613 [0,0,0,0,0,0|2,1,0]=3 22 B4R0.1 C[C@@H](F)CO PC6608 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 C[C@@H](O)CO OR307150 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.1 C[C@H](F)CO PC6609 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 C[C@H](O)CO OR307151 [0,0,0,0,0,0|2,0,2]=4 26 B4R0.1 C\C(Br)=C/F PC52100 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 C\C(F)=C\Cl PC1026 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 FC(Cl)=CCl PC2420 [0,0,0,0,0,0|4,0,0]=4 29 B4R0.1 FC(F)=CBr PC1390 [0,0,0,0,0,0|4,0,0]=4 30 B4R0.1 FC(F)=CCl PC1780 [0,0,0,0,0,0|4,0,0]=4 31 B4R0.1 FC=C(Br)Br PC4362 [0,0,0,0,0,0|4,0,0]=4 32 B4R0.1 FC=C(F)Br PC1243 [0,0,0,0,0,0|4,0,0]=4 33 B4R0.1 FC=C(F)Cl PC3774 [0,0,0,0,0,0|4,0,0]=4 34 B4R0.1 FC=C(F)F PC7360 [0,0,0,0,0,0|4,0,0]=4 35 B4R0.1 F\C(Br)=C/Br PC4364 [0,0,0,0,0,0|4,0,0]=4 36 B4R0.1 NNC(=S)S OR25446 [0,0,0,0,0,0|3,1,0]=4 37 B4R0.1 NNC(N)=O OR1894 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.1 O=C(F)CCl PC2527 [0,0,0,0,0,0|3,0,0]=3 39 B3R0.1 C=CCF PC4179Y [1,0,0,0,0,0|2,0,1]=4 40 B3R0.1 C=C[Mg]Br OR320072 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.1 C=C[Mg]Br OR320073 [1,0,0,0,0,0|2,0,1]=4 42 B3R0.1 CCCF PC0911 [1,0,0,0,0,0|2,0,1]=4 43 B3R0.1 CC[Mg]Br OR320087 [1,0,0,0,0,0|2,0,1]=4 44 B3R0.1 CC[Mg]Br OR320088 [1,0,0,0,0,0|2,0,1]=4 45 B3R0.1 CC[Mg]Br OR320089 [1,0,0,0,0,0|2,0,1]=4 46 B3R0.1 CC[Mg]Br OR320090 [1,0,0,0,0,0|2,0,1]=4 47 B3R0.1 CC[Mg]Br OR320092 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.1 CC[Mg]Br OR320093 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.1 CC[Mg]Cl OR320095 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 CC[Mg]Cl OR320096 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 CC[Mg]Cl OR320097 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 CC[Mg]Cl OR320098 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 CC[Mg]Cl OR320099 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.1 C\C=C\F PC52099 [1,0,0,0,0,0|2,0,0]=3 55 B3R0.1 FC=CCl PC1866 [1,0,0,0,0,0|3,0,0]=4 56 B3R0.1 FC=CF PC0287 [1,0,0,0,0,0|3,0,0]=4 57 B3R0.1 F\C=C/Br PC6672 [1,0,0,0,0,0|3,0,0]=4 58 B3R0.1 F\C=C/Cl PC49016 [1,0,0,0,0,0|3,0,0]=4 59 B3R0.1 F\C=C/F PC3792 [1,0,0,0,0,0|3,0,0]=4 60 B3R0.1 F\C=C\Cl PC49015 [1,0,0,0,0,0|3,0,0]=4 61 B3R0.1 F\C=C\F PC52111 [1,0,0,0,0,0|3,0,0]=4 62 B3R0.2 C=C(C)F PC2703 [1,0,0,0,0,0|1,0,1]=3 63 B3R0.2 C=C(F)Br PC9606 [1,0,0,0,0,0|2,0,1]=4 64 B3R0.2 C=C(F)Cl PC1865 [1,0,0,0,0,0|2,0,1]=4 65 B3R0.2 C=C(F)F PC2810 [1,0,0,0,0,0|2,0,1]=4 66 B3R0.2 CC(C)F PC4179T [1,0,0,0,0,0|1,0,1]=3 67 B3R0.2 CC(F)F PC2800 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CC(Br)CCBr OR9604 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.1 CC(C)=CC=O OR315230 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CCC=C(F)F PC4001 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.1 CCCC(C)O OR460068 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.1 CCC[C@@H](C)O OR304039 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.1 CCC[C@H](C)O OR304040 [0,1,0,0,0,0|1,0,2]=4 74 B5R0.1 CN(C)CCO OR322433 [0,1,0,0,0,0|3,0,0]=4 75 B5R0.1 COC[C@@H](C)O OR304070 [0,1,0,0,0,0|0,0,2]=3 76 B5R0.1 COC[C@H](C)O OR304071 [0,1,0,0,0,0|0,0,2]=3 77 B5R0.1 CSCS(C)=O OR322205 [0,1,0,0,0,0|1,1,0]=3 78 B5R0.1 C[C@@H](O)CCN OR304064 [0,1,0,0,0,0|1,0,2]=4 79 B5R0.1 C[C@H](O)CCN OR304065 [0,1,0,0,0,0|1,0,2]=4 80 B5R0.1 C[C@H](O)CCO OR315271 [0,1,0,0,0,0|1,0,2]=4 81 B5R0.1 FC(Cl)=CCCl PC6255 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.1 FC(F)=CCCl PC6252 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.1 FCC=C(F)F PC6239 [0,1,0,0,0,0|3,0,0]=4 84 B5R0.3 C=CC(C)ON OR471531 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(C)[Mg]Cl OR320122 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.3 CCC(C)[Mg]Cl OR320123 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.3 CC\C(N)=N\O OR346280 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.3 CNC(C)CO OR301204 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.3 COC(=O)NN OR4850 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.3 C\C=C(\C)[Mg]Br OR320152 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.3 FC=C(F)CF PC6245 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.3 NNC(=O)NN OR25882 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.3 N\C(CCl)=N/O OR300912 [0,1,0,0,0,0|3,0,0]=4 94 B5R0.3 O=C(CF)CF PC066 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.3 O=C\C(F)=C\[O-] PC51104 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.4 CCC(C)(F)F PC450284 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.4 COC(F)(F)F PC6231 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.5 C=C(Cl)C(=O)[O-] OR2895 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.5 C=C(F)C(=O)O PC4962 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.5 CC(=O)C(C)F PC9588 [0,1,0,0,0,0|1,0,0]=2 101 B5R0.5 CC(=O)C(F)F PC1013 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.5 CC(C)C(C)N OR5236 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.5 CC(C)C(N)=S OR346256 [0,1,0,0,0,0|2,1,0]=4 104 B5R0.5 CC(F)C(=O)O PC1057 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.5 CC(F)C(C)I PC56278 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.5 CN(C)C(=N)N OR300899 [0,1,0,0,0,0|3,0,0]=4 107 B5R0.5 CN(C)C(=S)S OR53175 [0,1,0,0,0,0|2,1,0]=4 108 B5R0.5 NC(=O)C(F)Br PC9604 [0,1,0,0,0,0|3,0,0]=4 109 B5R0.5 NC(=O)C(F)Cl PC4293 [0,1,0,0,0,0|3,0,0]=4 110 B5R0.5 NC(=O)C(F)F PC4051 [0,1,0,0,0,0|3,0,0]=4 111 B5R0.5 NC(=O)C(F)I PC5583 [0,1,0,0,0,0|3,0,0]=4 112 B5R0.5 O=C(Cl)C(F)Cl PC4216 [0,1,0,0,0,0|3,0,0]=4 113 B5R0.5 O=C(Cl)C(F)F PC9051 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.5 O=C(F)C(=O)F PC5364 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.5 O=C(O)C(F)Br PC6862 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.5 O=C(O)C(F)Cl PC1148 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.5 O=C(O)C(F)F PC2570 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.5 O=C(O)C(F)I PC0992 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.5 O=C([O-])C(F)Br PC3375 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.5 O=C([O-])C(F)Cl PC3376 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.5 O=C([O-])C(F)F PC408095 [0,1,0,0,0,0|3,0,0]=4 122 B5R0.5 O=C([O-])C(F)F PC5514 [0,1,0,0,0,0|3,0,0]=4 123 B5R0.5 O=C([O-])C(F)I PC3377 [0,1,0,0,0,0|3,0,0]=4 124 B5R1.2 C=C1CCO1 OR309087 [0,0,0,1,0,0|1,0,0]=2 125 B5R1.2 CC1CCN1 OR451005 [0,0,0,1,0,0|2,0,1]=4 126 B5R1.2 CC1CCO1 OR309061 [0,0,0,1,0,0|1,0,1]=3 127 B5R1.2 ClC1CCC1 OR322240 [0,0,0,1,0,0|2,0,1]=4 128 B5R1.2 NC1CCC1 OR322423 [0,0,0,1,0,0|2,0,1]=4 129 B5R1.2 O=C1CSC1 OR312059 [0,0,0,1,0,0|2,0,0]=3 130 B5R1.4 C[C@@H]1O[C@H]1C OR322036 [0,0,0,1,0,0|1,0,2]=4 131 B2R0.1 C=CF PC8000 [2,0,0,0,0,0|1,0,1]=4 132 B2R0.1 CCF PC3206 [2,0,0,0,0,0|1,0,1]=4 133 B2R0.1 COC PC48443 [2,0,0,0,0,0|0,0,0]=2 134 B2R0.1 C[Mg]Br OR320079 [2,0,0,0,0,0|2,0,0]=4 135 B2R0.1 C[Mg]Br OR320080 [2,0,0,0,0,0|2,0,0]=4 136 B2R0.1 C[Mg]Br OR320081 [2,0,0,0,0,0|2,0,0]=4 137 B2R0.1 C[Mg]Br OR320082 [2,0,0,0,0,0|2,0,0]=4 138 B2R0.1 C[Mg]Cl OR320083 [2,0,0,0,0,0|2,0,0]=4 139 B2R0.1 C[Mg]Cl OR320085 [2,0,0,0,0,0|2,0,0]=4 140 B2R0.1 C[Mg]I OR320076 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.2 C=CCCN OR302284 [1,1,0,0,0,0|1,0,1]=4 142 B4R0.2 C=CCOC OR30434 [1,1,0,0,0,0|0,0,1]=3 143 B4R0.2 CCCCF PC9870 [1,1,0,0,0,0|1,0,1]=4 144 B4R0.2 CCCNC OR345163 [1,1,0,0,0,0|1,0,1]=4 145 B4R0.2 CCNNC OR315348 [1,1,0,0,0,0|1,0,1]=4 146 B4R0.2 C\C=C\CC OR8524 [1,1,0,0,0,0|1,0,0]=3 147 B4R0.2 C\C=C\[Mg]Br OR320151 [1,1,0,0,0,0|2,0,0]=4 148 B4R0.2 ClC=CCCl OR1948 [1,1,0,0,0,0|2,0,0]=4 149 B4R0.2 FCOCF PC0341 [1,1,0,0,0,0|1,0,1]=4 150 B4R0.2 F\C=C\CF PC5737 [1,1,0,0,0,0|2,0,0]=4 151 B4R0.3 CC(C)(C)F PC450137 [1,1,0,0,0,0|1,0,1]=4 152 B4R0.3 CC(C)(F)F PC2877E [1,1,0,0,0,0|1,0,1]=4 153 B4R0.3 C[N+](C)(C)C PC450179 [1,1,0,0,0,0|2,0,0]=4 154 B4R0.3 C[N+](C)(C)C PC53546 [1,1,0,0,0,0|2,0,0]=4 155 B4R0.3 C[N+](C)(C)C PC5687 [1,1,0,0,0,0|2,0,0]=4 156 B4R0.3 C[N+](C)(C)C PC6938 [1,1,0,0,0,0|2,0,0]=4 157 B4R0.3 C[N+](C)(C)N OR30007 [1,1,0,0,0,0|2,0,0]=4 158 B4R0.3 C[P+](C)(C)C OR23478 [1,1,0,0,0,0|2,0,0]=4 159 B4R0.3 C[Si](C)(C)F PC7860 [1,1,0,0,0,0|1,1,0]=4 160 B4R0.3 C[Si](C)(F)F PC3010 [1,1,0,0,0,0|1,1,0]=4 161 B6R0.1 C#CC(=O)NCC OR315229 [0,2,0,0,0,0|1,0,1]=4 162 B6R0.1 CCOC(=O)CCl OR322004 [0,2,0,0,0,0|0,0,0]=2 163 B6R0.1 CN(C=O)CCO OR471488 [0,2,0,0,0,0|2,0,0]=4 164 B6R0.2 CC(=O)OC(C)Cl OR311234 [0,2,0,0,0,0|0,0,0]=2 165 B6R0.2 CC(C)NC(N)=O OR54393 [0,2,0,0,0,0|2,0,0]=4 166 B6R0.2 CC(O)CC(=O)[O-] OR28800 [0,2,0,0,0,0|2,0,0]=4 167 B6R0.3 C=C(F)C(=O)OC PC4967 [0,2,0,0,0,0|0,0,1]=3 168 B6R0.3 CCC(=O)C(F)F PC450496 [0,2,0,0,0,0|1,0,0]=3 169 B6R0.3 CN(C)C(=O)CCl OR49017 [0,2,0,0,0,0|1,0,0]=3 170 B6R0.3 CNC(=O)C(F)Br PC5594 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.3 CNC(=O)C(F)Cl PC5596 [0,2,0,0,0,0|1,0,0]=3 172 B6R0.3 CNC(=O)C(F)I PC5599 [0,2,0,0,0,0|1,0,0]=3 173 B6R0.3 COC(=O)C(C)C OR323296 [0,2,0,0,0,0|0,0,0]=2 174 B6R0.3 COC(=O)C(C)F PC19689 [0,2,0,0,0,0|0,0,0]=2 175 B6R0.3 COC(=O)C(F)F PC5075 [0,2,0,0,0,0|0,0,0]=2 176 B6R0.3 COC(=O)[C@@H](C)Cl OR322358 [0,2,0,0,0,0|0,0,0]=2 177 B6R0.3 COC(=O)[C@@H](C)F PC450159 [0,2,0,0,0,0|0,0,0]=2 178 B6R0.3 COC(=O)[C@H](C)F PC450044 [0,2,0,0,0,0|0,0,0]=2 179 B6R0.3 CO[C@H](C)C(=O)O OR302445 [0,2,0,0,0,0|0,0,1]=3 180 B6R0.3 NC(CF)C(=O)O PC3379 [0,2,0,0,0,0|2,0,0]=4 181 B6R0.3 NCC(F)C(=O)O PC3387E [0,2,0,0,0,0|2,0,0]=4 182 B6R0.3 NC[C@H](N)C(=O)O OR5495 [0,2,0,0,0,0|2,0,0]=4 183 B6R0.3 O=C([O-])C(=O)CF PC4205 [0,2,0,0,0,0|2,0,0]=4 184 B6R0.4 CC(=O)OCC=O OR30432 [0,2,0,0,0,0|0,0,0]=2 185 B6R0.4 CCNCC(=O)O OR322207 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.4 COCCC(=O)O OR315601 [0,2,0,0,0,0|1,0,0]=3 187 B6R0.9 C\N=C(/NC)SC OR22034 [0,2,0,0,0,0|1,1,0]=4 188 B6R0.7 CC(=O)C(F)(F)Cl PC450267 [0,2,0,0,0,0|2,0,0]=4 189 B6R0.7 CC(=O)C(F)(F)F PC7180 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.7 CC(C)(C)C(=O)O OR322364 [0,2,0,0,0,0|2,0,0]=4 191 B6R0.7 CC(C)(C)C(N)=O OR30100 [0,2,0,0,0,0|2,0,0]=4 192 B6R0.7 CC(C)(F)C(=O)Cl PC01536 [0,2,0,0,0,0|2,0,0]=4 193 B6R0.7 CC(C)(F)C(=O)O PC8763 [0,2,0,0,0,0|2,0,0]=4 194 B6R0.7 CC(F)(Br)C(=O)O PC51071 [0,2,0,0,0,0|2,0,0]=4 195 B6R0.7 CC(F)(F)C(=O)O PC9834 [0,2,0,0,0,0|2,0,0]=4 196 B6R0.7 CC(F)(F)C(=O)[O-] PC450283 [0,2,0,0,0,0|2,0,0]=4 197 B6R0.7 CC(F)(F)C(N)=O PC1164 [0,2,0,0,0,0|2,0,0]=4 198 B4R1.1 C1COC1 OR309051 [1,0,0,1,0,0|0,0,1]=3 199 B6R1.2 C=C1CCNC1 OR316058 [0,1,0,1,0,0|2,0,0]=4 200 B6R1.2 CC1=NCCC1 OR30528 [0,1,0,1,0,0|2,0,0]=4 201 B6R1.2 CC1OCCO1 OR460067 [0,1,0,1,0,0|0,0,2]=4 202 B6R1.2 O=C1C=CSC1 OR200106 [0,1,0,1,0,0|1,0,1]=4 203 B6R1.5 CC1CC(C)O1 OR309079 [0,1,0,1,0,0|1,0,1]=4 204 B6R1.5 O=C1CC(Br)C1 OR317105 [0,1,0,1,0,0|1,0,0]=3 205 B6R1.10 CC1(C)CCO1 OR309065 [0,1,0,1,0,0|1,0,1]=4 206 B6R1.10 CC1(N)COC1 OR306108 [0,1,0,1,0,0|1,0,1]=4 207 B6R1.10 CC1(N)COC1 OR308009 [0,1,0,1,0,0|1,0,1]=4 208 B6R1.10 CC1(O)COC1 OR309102 [0,1,0,1,0,0|0,0,2]=4 209 B6R1.6 COC1COC1 OR309105 [0,1,0,1,0,0|0,0,2]=4 210 B6R1.6 ClCC1CCO1 OR309081 [0,1,0,1,0,0|1,0,1]=4 211 B6R1.6 ICC1CCO1 OR309082 [0,1,0,1,0,0|1,0,1]=4 212 B6R1.6 OCC1CCO1 OR308011 [0,1,0,1,0,0|0,0,2]=4