0 B3R0.2 BrB(Br)Br BR1272 [0,0,0,0,0,0|4,0,0]=4 1 B3R0.2 BrC(Br)Br 050494 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 BrC(Br)Br 099552 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 BrP(Br)Br 094111 [0,0,0,0,0,0|4,0,0]=4 4 B3R0.2 Br[AlH3](Br)Br 106630 [0,0,0,0,0,0|4,0,0]=4 5 B3R0.2 Br[Fe](Br)Br 099349 [0,0,0,0,0,0|4,0,0]=4 6 B3R0.2 Br[In](Br)Br 050479 [0,0,0,0,0,0|4,0,0]=4 7 B3R0.2 C(C)(F)F 004814 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.2 C(Cl)(Cl)Cl 035917 [0,0,0,0,0,0|3,0,1]=4 9 B3R0.2 C=C(C)Br 098357 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 C=C(C)C 102139 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 C=[N+](C)C 051246 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.2 CB(O)O 214665 [0,0,0,0,0,0|1,0,1]=2 13 B3R0.2 CC(=N)N 021800 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.2 CC(=O)Br 003920 [0,0,0,0,0,0|1,0,0]=1 15 B3R0.2 CC(=O)Cl 094104 [0,0,0,0,0,0|1,0,0]=1 16 B3R0.2 CC(=O)O 035907 [0,0,0,0,0,0|0,0,0]=0 17 B3R0.2 CC(=O)O 043868 [0,0,0,0,0,0|0,0,0]=0 18 B3R0.2 CC(=O)O 044721 [0,0,0,0,0,0|0,0,0]=0 19 B3R0.2 CC(=O)O 101598 [0,0,0,0,0,0|0,0,0]=0 20 B3R0.2 CC(=O)O 104750 [0,0,0,0,0,0|0,0,0]=0 21 B3R0.2 CC(=O)O 106044 [0,0,0,0,0,0|0,0,0]=0 22 B3R0.2 CC(=O)O 106057 [0,0,0,0,0,0|0,0,0]=0 23 B3R0.2 CC(=O)O 106058 [0,0,0,0,0,0|0,0,0]=0 24 B3R0.2 CC(=O)O 106164 [0,0,0,0,0,0|0,0,0]=0 25 B3R0.2 CC(=O)S 094692 [0,0,0,0,0,0|0,1,0]=1 26 B3R0.2 CC(=O)[O-] 044838 [0,0,0,0,0,0|0,0,1]=1 27 B3R0.2 CC(=O)[O-] 050331 [0,0,0,0,0,0|0,0,1]=1 28 B3R0.2 CC(=O)[O-] 095373 [0,0,0,0,0,0|0,0,1]=1 29 B3R0.2 CC(=O)[O-] 095810 [0,0,0,0,0,0|0,0,1]=1 30 B3R0.2 CC(=O)[O-] 095811 [0,0,0,0,0,0|0,0,1]=1 31 B3R0.2 CC(=O)[O-] 095813 [0,0,0,0,0,0|0,0,1]=1 32 B3R0.2 CC(=O)[O-] 098592 [0,0,0,0,0,0|0,0,1]=1 33 B3R0.2 CC(=O)[O-] 098906 [0,0,0,0,0,0|0,0,1]=1 34 B3R0.2 CC(=O)[O-] 098951 [0,0,0,0,0,0|0,0,1]=1 35 B3R0.2 CC(=O)[O-] 099265 [0,0,0,0,0,0|0,0,1]=1 36 B3R0.2 CC(=O)[O-] 099279 [0,0,0,0,0,0|0,0,1]=1 37 B3R0.2 CC(=O)[O-] 099299 [0,0,0,0,0,0|0,0,1]=1 38 B3R0.2 CC(=O)[O-] 099359 [0,0,0,0,0,0|0,0,1]=1 39 B3R0.2 CC(=O)[O-] 099374 [0,0,0,0,0,0|0,0,1]=1 40 B3R0.2 CC(=O)[O-] 099561 [0,0,0,0,0,0|0,0,1]=1 41 B3R0.2 CC(=O)[O-] 099735 [0,0,0,0,0,0|0,0,1]=1 42 B3R0.2 CC(=O)[O-] 101990 [0,0,0,0,0,0|0,0,1]=1 43 B3R0.2 CC(=O)[O-] 102370 [0,0,0,0,0,0|0,0,1]=1 44 B3R0.2 CC(=O)[O-] 102576 [0,0,0,0,0,0|0,0,1]=1 45 B3R0.2 CC(=O)[O-] 102577 [0,0,0,0,0,0|0,0,1]=1 46 B3R0.2 CC(=O)[O-] 102751 [0,0,0,0,0,0|0,0,1]=1 47 B3R0.2 CC(=O)[O-] 102954 [0,0,0,0,0,0|0,0,1]=1 48 B3R0.2 CC(=O)[O-] 103004 [0,0,0,0,0,0|0,0,1]=1 49 B3R0.2 CC(=O)[O-] 103454 [0,0,0,0,0,0|0,0,1]=1 50 B3R0.2 CC(=O)[O-] 103547 [0,0,0,0,0,0|0,0,1]=1 51 B3R0.2 CC(=O)[O-] 103666 [0,0,0,0,0,0|0,0,1]=1 52 B3R0.2 CC(=O)[O-] 104120 [0,0,0,0,0,0|0,0,1]=1 53 B3R0.2 CC(=O)[O-] 104124 [0,0,0,0,0,0|0,0,1]=1 54 B3R0.2 CC(=O)[O-] 104255 [0,0,0,0,0,0|0,0,1]=1 55 B3R0.2 CC(=O)[O-] 104267 [0,0,0,0,0,0|0,0,1]=1 56 B3R0.2 CC(=O)[O-] 104268 [0,0,0,0,0,0|0,0,1]=1 57 B3R0.2 CC(=O)[O-] 104731 [0,0,0,0,0,0|0,0,1]=1 58 B3R0.2 CC(=O)[O-] 104732 [0,0,0,0,0,0|0,0,1]=1 59 B3R0.2 CC(=O)[O-] 104830 [0,0,0,0,0,0|0,0,1]=1 60 B3R0.2 CC(=O)[O-] 104834 [0,0,0,0,0,0|0,0,1]=1 61 B3R0.2 CC(=O)[O-] 106015 [0,0,0,0,0,0|0,0,1]=1 62 B3R0.2 CC(=O)[O-] 106936 [0,0,0,0,0,0|0,0,1]=1 63 B3R0.2 CC(=O)[O-] 449646 [0,0,0,0,0,0|0,0,1]=1 64 B3R0.2 CC(=O)[O-] 492414 [0,0,0,0,0,0|0,0,1]=1 65 B3R0.2 CC(=O)[O-] 492458 [0,0,0,0,0,0|0,0,1]=1 66 B3R0.2 CC(=O)[O-] 492460 [0,0,0,0,0,0|0,0,1]=1 67 B3R0.2 CC(=O)[O-] 493837 [0,0,0,0,0,0|0,0,1]=1 68 B3R0.2 CC(=O)[O-] 493847 [0,0,0,0,0,0|0,0,1]=1 69 B3R0.2 CC(=O)[O-] 494093 [0,0,0,0,0,0|0,0,1]=1 70 B3R0.2 CC(=O)[O-] 494137 [0,0,0,0,0,0|0,0,1]=1 71 B3R0.2 CC(=O)[O-] 494138 [0,0,0,0,0,0|0,0,1]=1 72 B3R0.2 CC(=O)[O-] 494390 [0,0,0,0,0,0|0,0,1]=1 73 B3R0.2 CC(=O)[S-] 050515 [0,0,0,0,0,0|0,1,0]=1 74 B3R0.2 CC(C)=O 035905 [0,0,0,0,0,0|1,0,0]=1 75 B3R0.2 CC(C)=O 050332 [0,0,0,0,0,0|1,0,0]=1 76 B3R0.2 CC(C)=O 099892 [0,0,0,0,0,0|1,0,0]=1 77 B3R0.2 CC(C)=O 102148 [0,0,0,0,0,0|1,0,0]=1 78 B3R0.2 CC(C)=O 102613 [0,0,0,0,0,0|1,0,0]=1 79 B3R0.2 CC(C)=O 103138 [0,0,0,0,0,0|1,0,0]=1 80 B3R0.2 CC(C)Br BR1118 [0,0,0,0,0,0|2,0,1]=3 81 B3R0.2 CC(C)Cl 438389 [0,0,0,0,0,0|2,0,1]=3 82 B3R0.2 CC(C)I 094561 [0,0,0,0,0,0|2,0,1]=3 83 B3R0.2 CC(C)N 046833 [0,0,0,0,0,0|2,0,1]=3 84 B3R0.2 CC(C)N 094589 [0,0,0,0,0,0|2,0,1]=3 85 B3R0.2 CC(C)N 102424 [0,0,0,0,0,0|2,0,1]=3 86 B3R0.2 CC(C)O 035913 [0,0,0,0,0,0|1,0,1]=2 87 B3R0.2 CC(C)O 098379 [0,0,0,0,0,0|1,0,1]=2 88 B3R0.2 CC(C)O 102166 [0,0,0,0,0,0|1,0,1]=2 89 B3R0.2 CC(C)O 102226 [0,0,0,0,0,0|1,0,1]=2 90 B3R0.2 CC(C)O 105811 [0,0,0,0,0,0|1,0,1]=2 91 B3R0.2 CC(C)S 098993 [0,0,0,0,0,0|1,1,1]=3 92 B3R0.2 CC(C)[O-] 098874 [0,0,0,0,0,0|1,0,2]=3 93 B3R0.2 CC(C)[O-] 099441 [0,0,0,0,0,0|1,0,2]=3 94 B3R0.2 CC(C)[S-] 103566 [0,0,0,0,0,0|1,1,1]=3 95 B3R0.2 CC(Cl)Cl 047063 [0,0,0,0,0,0|2,0,1]=3 96 B3R0.2 CC(N)=O 044859 [0,0,0,0,0,0|1,0,0]=1 97 B3R0.2 CC(N)=S 012744 [0,0,0,0,0,0|1,1,0]=2 98 B3R0.2 CC(N)=S 099460 [0,0,0,0,0,0|1,1,0]=2 99 B3R0.2 CN(C)C 094483 [0,0,0,0,0,0|3,0,0]=3 100 B3R0.2 CN(C)C 099336 [0,0,0,0,0,0|3,0,0]=3 101 B3R0.2 CN(C)C 101873 [0,0,0,0,0,0|3,0,0]=3 102 B3R0.2 CN(C)C 102008 [0,0,0,0,0,0|3,0,0]=3 103 B3R0.2 CN(C)C 102395 [0,0,0,0,0,0|3,0,0]=3 104 B3R0.2 CN(C)C 102396 [0,0,0,0,0,0|3,0,0]=3 105 B3R0.2 CN(C)C 358045 [0,0,0,0,0,0|3,0,0]=3 106 B3R0.2 CN(C)N 245913 [0,0,0,0,0,0|3,0,0]=3 107 B3R0.2 CN(C)O 104141 [0,0,0,0,0,0|2,0,0]=2 108 B3R0.2 CP(C)C 104924 [0,0,0,0,0,0|3,0,0]=3 109 B3R0.2 CS(=O)[O-] 001284 [0,0,0,0,0,0|1,0,1]=2 110 B3R0.2 CS(C)=O 046777 [0,0,0,0,0,0|2,0,0]=2 111 B3R0.2 CS(C)=O 099368 [0,0,0,0,0,0|2,0,0]=2 112 B3R0.2 CS(C)=O 102741 [0,0,0,0,0,0|2,0,0]=2 113 B3R0.2 C[N+](=O)[O-] 099354 [0,0,0,0,0,0|1,0,1]=2 114 B3R0.2 C[N+](=O)[O-] 104857 [0,0,0,0,0,0|1,0,1]=2 115 B3R0.2 C[N+](=O)[O-] BR1297 [0,0,0,0,0,0|1,0,1]=2 116 B3R0.2 C[S+](C)C 175000 [0,0,0,0,0,0|3,0,0]=3 117 B3R0.2 C[SiH](C)Cl S06975 [0,0,0,0,0,0|2,1,0]=3 118 B3R0.2 ClB(Cl)Cl 102697 [0,0,0,0,0,0|4,0,0]=4 119 B3R0.2 ClC(Br)Br 001073 [0,0,0,0,0,0|3,0,1]=4 120 B3R0.2 ClC(Cl)Cl 095000 [0,0,0,0,0,0|3,0,1]=4 121 B3R0.2 ClC(Cl)Cl 101614 [0,0,0,0,0,0|3,0,1]=4 122 B3R0.2 ClP(Cl)Cl 005031 [0,0,0,0,0,0|4,0,0]=4 123 B3R0.2 Cl[AlH3](Cl)Cl 044715 [0,0,0,0,0,0|4,0,0]=4 124 B3R0.2 Cl[AlH3](Cl)Cl 099291 [0,0,0,0,0,0|4,0,0]=4 125 B3R0.2 Cl[AlH3](Cl)Cl 103033 [0,0,0,0,0,0|4,0,0]=4 126 B3R0.2 Cl[AlH3](Cl)Cl 104695 [0,0,0,0,0,0|4,0,0]=4 127 B3R0.2 Cl[AlH3](Cl)Cl 104696 [0,0,0,0,0,0|4,0,0]=4 128 B3R0.2 Cl[Ce](Cl)Cl 099492 [0,0,0,0,0,0|4,0,0]=4 129 B3R0.2 Cl[Ce](Cl)Cl 099582 [0,0,0,0,0,0|4,0,0]=4 130 B3R0.2 Cl[Ce](Cl)Cl 104734 [0,0,0,0,0,0|4,0,0]=4 131 B3R0.2 Cl[Cr](Cl)Cl 099239 [0,0,0,0,0,0|4,0,0]=4 132 B3R0.2 Cl[Cr](Cl)Cl 102854 [0,0,0,0,0,0|4,0,0]=4 133 B3R0.2 Cl[Dy](Cl)Cl 099017 [0,0,0,0,0,0|4,0,0]=4 134 B3R0.2 Cl[Fe](Cl)Cl 103310 [0,0,0,0,0,0|4,0,0]=4 135 B3R0.2 Cl[Nd](Cl)Cl 105353 [0,0,0,0,0,0|4,0,0]=4 136 B3R0.2 Cl[Ru](Cl)Cl 005538 [0,0,0,0,0,0|4,0,0]=4 137 B3R0.2 Cl[Ru](Cl)Cl 102428 [0,0,0,0,0,0|4,0,0]=4 138 B3R0.2 Cl[Sb](Cl)Cl 104502 [0,0,0,0,0,0|4,0,0]=4 139 B3R0.2 Cl[Sb](Cl)Cl 510103 [0,0,0,0,0,0|4,0,0]=4 140 B3R0.2 Cl[Ti](Cl)Cl 106165 [0,0,0,0,0,0|4,0,0]=4 141 B3R0.2 Cl[V](Cl)Cl 099486 [0,0,0,0,0,0|4,0,0]=4 142 B3R0.2 FC(F)I 106958 [0,0,0,0,0,0|3,0,1]=4 143 B3R0.2 F[AlH3](F)F 003952 [0,0,0,0,0,0|4,0,0]=4 144 B3R0.2 F[Bi](F)F 004113 [0,0,0,0,0,0|4,0,0]=4 145 B3R0.2 F[Cr](F)F 004566 [0,0,0,0,0,0|4,0,0]=4 146 B3R0.2 F[Er](F)F 006074 [0,0,0,0,0,0|4,0,0]=4 147 B3R0.2 F[Fe](F)F 006157 [0,0,0,0,0,0|4,0,0]=4 148 B3R0.2 F[La](F)F 006706 [0,0,0,0,0,0|4,0,0]=4 149 B3R0.2 F[Tb](F)F 007305 [0,0,0,0,0,0|4,0,0]=4 150 B3R0.2 F[V](F)F 007774 [0,0,0,0,0,0|4,0,0]=4 151 B3R0.2 F[Y](F)F 007781 [0,0,0,0,0,0|4,0,0]=4 152 B3R0.2 IC(I)I 102350 [0,0,0,0,0,0|3,0,1]=4 153 B3R0.2 I[Ce](I)I 104735 [0,0,0,0,0,0|4,0,0]=4 154 B3R0.2 N=C(N)Cl 075371 [0,0,0,0,0,0|3,0,0]=3 155 B3R0.2 N=C(N)N 044943 [0,0,0,0,0,0|3,0,0]=3 156 B3R0.2 N=C(N)N 098811 [0,0,0,0,0,0|3,0,0]=3 157 B3R0.2 N=C(N)N 104266 [0,0,0,0,0,0|3,0,0]=3 158 B3R0.2 N=C(N)N 143800 [0,0,0,0,0,0|3,0,0]=3 159 B3R0.2 N=C(N)N M01833 [0,0,0,0,0,0|3,0,0]=3 160 B3R0.2 NC(=O)[O-] 240898 [0,0,0,0,0,0|1,0,1]=2 161 B3R0.2 NC(N)=O 044699 [0,0,0,0,0,0|2,0,0]=2 162 B3R0.2 NC(N)=O 094887 [0,0,0,0,0,0|2,0,0]=2 163 B3R0.2 NC(N)=O 245966 [0,0,0,0,0,0|2,0,0]=2 164 B3R0.2 NC(N)=O M02656 [0,0,0,0,0,0|2,0,0]=2 165 B3R0.2 NC(N)=S 044741 [0,0,0,0,0,0|2,1,0]=3 166 B3R0.2 NC(N)=S 103320 [0,0,0,0,0,0|2,1,0]=3 167 B3R0.2 O=Br(=O)[O-] 101547 [0,0,0,0,0,0|2,0,1]=3 168 B3R0.2 O=Br(=O)[O-] BR1192 [0,0,0,0,0,0|2,0,1]=3 169 B3R0.2 O=Br(=O)[O-] BR1198 [0,0,0,0,0,0|2,0,1]=3 170 B3R0.2 O=C(Cl)Cl 098039 [0,0,0,0,0,0|2,0,0]=2 171 B3R0.2 O=C(O)O 094746 [0,0,0,0,0,0|1,0,0]=1 172 B3R0.2 O=C(O)O 105338 [0,0,0,0,0,0|1,0,0]=1 173 B3R0.2 O=C(O)O 105407 [0,0,0,0,0,0|1,0,0]=1 174 B3R0.2 O=C([O-])O 044705 [0,0,0,0,0,0|1,0,0]=1 175 B3R0.2 O=C([O-])O 044759 [0,0,0,0,0,0|1,0,0]=1 176 B3R0.2 O=C([O-])O 095377 [0,0,0,0,0,0|1,0,0]=1 177 B3R0.2 O=C([O-])O 099274 [0,0,0,0,0,0|1,0,0]=1 178 B3R0.2 O=C([O-])O 099353 [0,0,0,0,0,0|1,0,0]=1 179 B3R0.2 O=C([O-])O 099941 [0,0,0,0,0,0|1,0,0]=1 180 B3R0.2 O=C([O-])O 101989 [0,0,0,0,0,0|1,0,0]=1 181 B3R0.2 O=C([O-])O 102030 [0,0,0,0,0,0|1,0,0]=1 182 B3R0.2 O=C([O-])O 102774 [0,0,0,0,0,0|1,0,0]=1 183 B3R0.2 O=C([O-])O 102942 [0,0,0,0,0,0|1,0,0]=1 184 B3R0.2 O=C([O-])O 104315 [0,0,0,0,0,0|1,0,0]=1 185 B3R0.2 O=C([O-])[O-] 024862 [0,0,0,0,0,0|1,0,1]=2 186 B3R0.2 O=C([O-])[O-] 044706 [0,0,0,0,0,0|1,0,1]=2 187 B3R0.2 O=C([O-])[O-] 044708 [0,0,0,0,0,0|1,0,1]=2 188 B3R0.2 O=C([O-])[O-] 050215 [0,0,0,0,0,0|1,0,1]=2 189 B3R0.2 O=C([O-])[O-] 094638 [0,0,0,0,0,0|1,0,1]=2 190 B3R0.2 O=C([O-])[O-] 095386 [0,0,0,0,0,0|1,0,1]=2 191 B3R0.2 O=C([O-])[O-] 097603 [0,0,0,0,0,0|1,0,1]=2 192 B3R0.2 O=C([O-])[O-] 097701 [0,0,0,0,0,0|1,0,1]=2 193 B3R0.2 O=C([O-])[O-] 098684 [0,0,0,0,0,0|1,0,1]=2 194 B3R0.2 O=C([O-])[O-] 099296 [0,0,0,0,0,0|1,0,1]=2 195 B3R0.2 O=C([O-])[O-] 099356 [0,0,0,0,0,0|1,0,1]=2 196 B3R0.2 O=C([O-])[O-] 099751 [0,0,0,0,0,0|1,0,1]=2 197 B3R0.2 O=C([O-])[O-] 099971 [0,0,0,0,0,0|1,0,1]=2 198 B3R0.2 O=C([O-])[O-] 101890 [0,0,0,0,0,0|1,0,1]=2 199 B3R0.2 O=C([O-])[O-] 101937 [0,0,0,0,0,0|1,0,1]=2 200 B3R0.2 O=C([O-])[O-] 102038 [0,0,0,0,0,0|1,0,1]=2 201 B3R0.2 O=C([O-])[O-] 102078 [0,0,0,0,0,0|1,0,1]=2 202 B3R0.2 O=C([O-])[O-] 102093 [0,0,0,0,0,0|1,0,1]=2 203 B3R0.2 O=C([O-])[O-] 102094 [0,0,0,0,0,0|1,0,1]=2 204 B3R0.2 O=C([O-])[O-] 102095 [0,0,0,0,0,0|1,0,1]=2 205 B3R0.2 O=C([O-])[O-] 102476 [0,0,0,0,0,0|1,0,1]=2 206 B3R0.2 O=C([O-])[O-] 102675 [0,0,0,0,0,0|1,0,1]=2 207 B3R0.2 O=C([O-])[O-] 102731 [0,0,0,0,0,0|1,0,1]=2 208 B3R0.2 O=C([O-])[O-] 102831 [0,0,0,0,0,0|1,0,1]=2 209 B3R0.2 O=C([O-])[O-] 102941 [0,0,0,0,0,0|1,0,1]=2 210 B3R0.2 O=C([O-])[O-] 103440 [0,0,0,0,0,0|1,0,1]=2 211 B3R0.2 O=C([O-])[O-] 103688 [0,0,0,0,0,0|1,0,1]=2 212 B3R0.2 O=C([O-])[O-] 103830 [0,0,0,0,0,0|1,0,1]=2 213 B3R0.2 O=C([O-])[O-] 104678 [0,0,0,0,0,0|1,0,1]=2 214 B3R0.2 O=C([O-])[O-] 245855 [0,0,0,0,0,0|1,0,1]=2 215 B3R0.2 O=C([O-])[O-] 245931 [0,0,0,0,0,0|1,0,1]=2 216 B3R0.2 O=Cl(=O)[O-] 098534 [0,0,0,0,0,0|2,0,1]=3 217 B3R0.2 O=I(=O)O 106429 [0,0,0,0,0,0|2,0,0]=2 218 B3R0.2 O=I(=O)[O-] 103987 [0,0,0,0,0,0|2,0,1]=3 219 B3R0.2 O=I(=O)[O-] 104264 [0,0,0,0,0,0|2,0,1]=3 220 B3R0.2 O=N(=O)[O-] 080282 [0,0,0,0,0,0|2,0,1]=3 221 B3R0.2 O=N(=O)[O-] 099052 [0,0,0,0,0,0|2,0,1]=3 222 B3R0.2 O=N(=O)[O-] 099736 [0,0,0,0,0,0|2,0,1]=3 223 B3R0.2 O=N(=O)[O-] 102371 [0,0,0,0,0,0|2,0,1]=3 224 B3R0.2 O=P(=O)[O-] 007293 [0,0,0,0,0,0|2,0,1]=3 225 B3R0.2 O=S(Br)Br 099917 [0,0,0,0,0,0|3,0,0]=3 226 B3R0.2 O=S(Cl)Cl 033128 [0,0,0,0,0,0|3,0,0]=3 227 B3R0.2 O=S([O-])O 075234 [0,0,0,0,0,0|2,0,0]=2 228 B3R0.2 O=S([O-])O 099416 [0,0,0,0,0,0|2,0,0]=2 229 B3R0.2 O=S([O-])O 106048 [0,0,0,0,0,0|2,0,0]=2 230 B3R0.2 O=S([O-])[O-] 044726 [0,0,0,0,0,0|2,0,1]=3 231 B3R0.2 O=S([O-])[O-] 101575 [0,0,0,0,0,0|2,0,1]=3 232 B3R0.2 O=[Cr](=O)=O 094433 [0,0,0,0,0,0|2,0,1]=3 233 B3R0.2 O=[Mo](=O)=O 494341 [0,0,0,0,0,0|2,0,1]=3 234 B3R0.2 O=[N+]([O-])O 099784 [0,0,0,0,0,0|2,0,0]=2 235 B3R0.2 O=[N+]([O-])O 102498 [0,0,0,0,0,0|2,0,0]=2 236 B3R0.2 O=[N+]([O-])[O-] 094449 [0,0,0,0,0,0|2,0,1]=3 237 B3R0.2 O=[N+]([O-])[O-] 094795 [0,0,0,0,0,0|2,0,1]=3 238 B3R0.2 O=[N+]([O-])[O-] 097684 [0,0,0,0,0,0|2,0,1]=3 239 B3R0.2 O=[N+]([O-])[O-] 098767 [0,0,0,0,0,0|2,0,1]=3 240 B3R0.2 O=[N+]([O-])[O-] 098875 [0,0,0,0,0,0|2,0,1]=3 241 B3R0.2 O=[N+]([O-])[O-] 098901 [0,0,0,0,0,0|2,0,1]=3 242 B3R0.2 O=[N+]([O-])[O-] 098949 [0,0,0,0,0,0|2,0,1]=3 243 B3R0.2 O=[N+]([O-])[O-] 099379 [0,0,0,0,0,0|2,0,1]=3 244 B3R0.2 O=[N+]([O-])[O-] 099724 [0,0,0,0,0,0|2,0,1]=3 245 B3R0.2 O=[N+]([O-])[O-] 099727 [0,0,0,0,0,0|2,0,1]=3 246 B3R0.2 O=[N+]([O-])[O-] 101541 [0,0,0,0,0,0|2,0,1]=3 247 B3R0.2 O=[N+]([O-])[O-] 101958 [0,0,0,0,0,0|2,0,1]=3 248 B3R0.2 O=[N+]([O-])[O-] 102539 [0,0,0,0,0,0|2,0,1]=3 249 B3R0.2 O=[N+]([O-])[O-] 102943 [0,0,0,0,0,0|2,0,1]=3 250 B3R0.2 O=[N+]([O-])[O-] 103357 [0,0,0,0,0,0|2,0,1]=3 251 B3R0.2 O=[N+]([O-])[O-] 103434 [0,0,0,0,0,0|2,0,1]=3 252 B3R0.2 O=[N+]([O-])[O-] 103689 [0,0,0,0,0,0|2,0,1]=3 253 B3R0.2 O=[N+]([O-])[O-] 104014 [0,0,0,0,0,0|2,0,1]=3 254 B3R0.2 O=[N+]([O-])[O-] 104137 [0,0,0,0,0,0|2,0,1]=3 255 B3R0.2 O=[N+]([O-])[O-] 104766 [0,0,0,0,0,0|2,0,1]=3 256 B3R0.2 O=[N+]([O-])[O-] 104767 [0,0,0,0,0,0|2,0,1]=3 257 B3R0.2 O=[N+]([O-])[O-] 104921 [0,0,0,0,0,0|2,0,1]=3 258 B3R0.2 O=[N+]([O-])[O-] 106004 [0,0,0,0,0,0|2,0,1]=3 259 B3R0.2 O=[N+]([O-])[O-] 106005 [0,0,0,0,0,0|2,0,1]=3 260 B3R0.2 O=[N+]([O-])[O-] 492476 [0,0,0,0,0,0|2,0,1]=3 261 B3R0.2 O=[N+]([O-])[O-] 493798 [0,0,0,0,0,0|2,0,1]=3 262 B3R0.2 O=[N+]([O-])[O-] 493811 [0,0,0,0,0,0|2,0,1]=3 263 B3R0.2 O=[N+]([O-])[O-] 493934 [0,0,0,0,0,0|2,0,1]=3 264 B3R0.2 O=[N+]([O-])[O-] 494354 [0,0,0,0,0,0|2,0,1]=3 265 B3R0.2 O=[N+]([O-])[O-] 494365 [0,0,0,0,0,0|2,0,1]=3 266 B3R0.2 O=[N+]([O-])[O-] 494384 [0,0,0,0,0,0|2,0,1]=3 267 B3R0.2 O=[Se]([O-])[O-] 492419 [0,0,0,0,0,0|2,0,1]=3 268 B3R0.2 O=[Si](O)O 101481 [0,0,0,0,0,0|1,1,0]=2 269 B3R0.2 O=[Si]([O-])[O-] 098683 [0,0,0,0,0,0|1,1,1]=3 270 B3R0.2 O=[Si]([O-])[O-] 101483 [0,0,0,0,0,0|1,1,1]=3 271 B3R0.2 O=[Si]([O-])[O-] 105864 [0,0,0,0,0,0|1,1,1]=3 272 B3R0.2 O=[Si]([O-])[O-] S15025 [0,0,0,0,0,0|1,1,1]=3 273 B3R0.2 O=[Si]([O-])[O-] S25205 [0,0,0,0,0,0|1,1,1]=3 274 B3R0.2 O=[Sn]([O-])[O-] 098427 [0,0,0,0,0,0|2,0,1]=3 275 B3R0.2 OB(O)O 094443 [0,0,0,0,0,0|2,0,1]=3 276 B3R0.2 OB(O)O 099748 [0,0,0,0,0,0|2,0,1]=3 277 B3R0.2 OB(O)O 103993 [0,0,0,0,0,0|2,0,1]=3 278 B3R0.2 OB(O)O 104270 [0,0,0,0,0,0|2,0,1]=3 279 B3R0.2 OB(O)O 104328 [0,0,0,0,0,0|2,0,1]=3 280 B3R0.2 S=C(Cl)Cl 005987 [0,0,0,0,0,0|2,1,0]=3 281 B2R0.1 BrCBr 098925 [1,0,0,0,0,0|2,0,1]=4 282 B2R0.1 Br[Cu]Br 102618 [1,0,0,0,0,0|3,0,0]=4 283 B2R0.1 Br[Cu]Br BR1147 [1,0,0,0,0,0|3,0,0]=4 284 B2R0.1 Br[Zn]Br 101974 [1,0,0,0,0,0|3,0,0]=4 285 B2R0.1 Br[Zn]Br 104698 [1,0,0,0,0,0|3,0,0]=4 286 B2R0.1 Br[Zn]Br BR1217 [1,0,0,0,0,0|3,0,0]=4 287 B2R0.1 C=CBr 102637 [1,0,0,0,0,0|1,0,1]=3 288 B2R0.1 C=CBr 102732 [1,0,0,0,0,0|1,0,1]=3 289 B2R0.1 C=CI 001550 [1,0,0,0,0,0|1,0,1]=3 290 B2R0.1 CC#N 035906 [1,0,0,0,0,0|1,0,1]=3 291 B2R0.1 CC#N 046131 [1,0,0,0,0,0|1,0,1]=3 292 B2R0.1 CC#N 099891 [1,0,0,0,0,0|1,0,1]=3 293 B2R0.1 CC#N 102928 [1,0,0,0,0,0|1,0,1]=3 294 B2R0.1 CC#N 105527 [1,0,0,0,0,0|1,0,1]=3 295 B2R0.1 CC#N 995231 [1,0,0,0,0,0|1,0,1]=3 296 B2R0.1 CCBr 099072 [1,0,0,0,0,0|1,0,1]=3 297 B2R0.1 CCI 043865 [1,0,0,0,0,0|1,0,1]=3 298 B2R0.1 CCO 098441 [1,0,0,0,0,0|0,0,1]=2 299 B2R0.1 CCS 094484 [1,0,0,0,0,0|0,1,1]=3 300 B2R0.1 CC[Mg+] 102036 [1,0,0,0,0,0|1,0,1]=3 301 B2R0.1 CC[O-] 098858 [1,0,0,0,0,0|0,0,2]=3 302 B2R0.1 CC[O-] 099616 [1,0,0,0,0,0|0,0,2]=3 303 B2R0.1 CC[O-] 101878 [1,0,0,0,0,0|0,0,2]=3 304 B2R0.1 CC[O-] 103437 [1,0,0,0,0,0|0,0,2]=3 305 B2R0.1 CC[S-] 513565 [1,0,0,0,0,0|0,1,1]=3 306 B2R0.1 CNC 005043 [1,0,0,0,0,0|2,0,0]=3 307 B2R0.1 CNC 043439 [1,0,0,0,0,0|2,0,0]=3 308 B2R0.1 CNC 044754 [1,0,0,0,0,0|2,0,0]=3 309 B2R0.1 CNC 051280 [1,0,0,0,0,0|2,0,0]=3 310 B2R0.1 CNC 094464 [1,0,0,0,0,0|2,0,0]=3 311 B2R0.1 CNC 099111 [1,0,0,0,0,0|2,0,0]=3 312 B2R0.1 CNC 102391 [1,0,0,0,0,0|2,0,0]=3 313 B2R0.1 CNN 098853 [1,0,0,0,0,0|2,0,0]=3 314 B2R0.1 CNO 216314 [1,0,0,0,0,0|1,0,0]=2 315 B2R0.1 COC 106294 [1,0,0,0,0,0|2,0,0]=3 316 B2R0.1 CON 078603 [1,0,0,0,0,0|2,0,0]=3 317 B2R0.1 CON 102867 [1,0,0,0,0,0|2,0,0]=3 318 B2R0.1 CON 103750 [1,0,0,0,0,0|2,0,0]=3 319 B2R0.1 CSC 043438 [1,0,0,0,0,0|2,0,0]=3 320 B2R0.1 CSC 094888 [1,0,0,0,0,0|2,0,0]=3 321 B2R0.1 CSC 097632 [1,0,0,0,0,0|2,0,0]=3 322 B2R0.1 C[Mg]Br 102010 [1,0,0,0,0,0|2,0,0]=3 323 B2R0.1 C[Mg]Cl 051152 [1,0,0,0,0,0|2,0,0]=3 324 B2R0.1 ClCCl 035912 [1,0,0,0,0,0|2,0,1]=4 325 B2R0.1 ClCCl 044694 [1,0,0,0,0,0|2,0,1]=4 326 B2R0.1 ClCCl 099900 [1,0,0,0,0,0|2,0,1]=4 327 B2R0.1 ClCI 067664 [1,0,0,0,0,0|2,0,1]=4 328 B2R0.1 Cl[Ca]Cl 044727 [1,0,0,0,0,0|3,0,0]=4 329 B2R0.1 Cl[Cu]Cl 044794 [1,0,0,0,0,0|3,0,0]=4 330 B2R0.1 Cl[Cu]Cl 075005 [1,0,0,0,0,0|3,0,0]=4 331 B2R0.1 Cl[Cu]Cl 102619 [1,0,0,0,0,0|3,0,0]=4 332 B2R0.1 Cl[Cu]Cl 104736 [1,0,0,0,0,0|3,0,0]=4 333 B2R0.1 Cl[Cu]Cl 105960 [1,0,0,0,0,0|3,0,0]=4 334 B2R0.1 Cl[Mg]Cl 103173 [1,0,0,0,0,0|3,0,0]=4 335 B2R0.1 Cl[Mn]Cl 099609 [1,0,0,0,0,0|3,0,0]=4 336 B2R0.1 Cl[Pd]Cl 035789 [1,0,0,0,0,0|3,0,0]=4 337 B2R0.1 Cl[Pd]Cl 102402 [1,0,0,0,0,0|3,0,0]=4 338 B2R0.1 Cl[Pd]Cl 104925 [1,0,0,0,0,0|3,0,0]=4 339 B2R0.1 Cl[Sn]Cl 102874 [1,0,0,0,0,0|3,0,0]=4 340 B2R0.1 Cl[V]Cl 099607 [1,0,0,0,0,0|3,0,0]=4 341 B2R0.1 Cl[Zn]Cl 044566 [1,0,0,0,0,0|3,0,0]=4 342 B2R0.1 Cl[Zn]Cl 104842 [1,0,0,0,0,0|3,0,0]=4 343 B2R0.1 F[Ag]F 002863 [1,0,0,0,0,0|3,0,0]=4 344 B2R0.1 F[Co]F 004570 [1,0,0,0,0,0|3,0,0]=4 345 B2R0.1 F[Hg]F 002849 [1,0,0,0,0,0|3,0,0]=4 346 B2R0.1 F[Mn]F 003263 [1,0,0,0,0,0|3,0,0]=4 347 B2R0.1 F[SnH2]F 003309 [1,0,0,0,0,0|3,0,0]=4 348 B2R0.1 F[Sr]F 007296 [1,0,0,0,0,0|3,0,0]=4 349 B2R0.1 F[Zn]F 002872 [1,0,0,0,0,0|3,0,0]=4 350 B2R0.1 ICI 043330 [1,0,0,0,0,0|2,0,1]=4 351 B2R0.1 I[Mg]I 099350 [1,0,0,0,0,0|3,0,0]=4 352 B2R0.1 I[Mg]I 099490 [1,0,0,0,0,0|3,0,0]=4 353 B2R0.1 I[Zn]I 095094 [1,0,0,0,0,0|3,0,0]=4 354 B2R0.1 N#CBr 105237 [1,0,0,0,0,0|2,0,1]=4 355 B2R0.1 N#CBr 122400 [1,0,0,0,0,0|2,0,1]=4 356 B2R0.1 N#CN 094456 [1,0,0,0,0,0|2,0,1]=4 357 B2R0.1 N#C[Cu] 102387 [1,0,0,0,0,0|2,0,1]=4 358 B2R0.1 N#C[K] 102070 [1,0,0,0,0,0|2,0,1]=4 359 B2R0.1 N#C[NH-] 245920 [1,0,0,0,0,0|2,0,1]=4 360 B2R0.1 N#C[Na] 102076 [1,0,0,0,0,0|2,0,1]=4 361 B2R0.1 N#C[O-] 005151 [1,0,0,0,0,0|1,0,2]=4 362 B2R0.1 N#C[O-] 098400 [1,0,0,0,0,0|1,0,2]=4 363 B2R0.1 N#C[S-] 021799 [1,0,0,0,0,0|1,1,1]=4 364 B2R0.1 N#C[S-] 099371 [1,0,0,0,0,0|1,1,1]=4 365 B2R0.1 N#C[S-] 101551 [1,0,0,0,0,0|1,1,1]=4 366 B2R0.1 N#C[S-] 104373 [1,0,0,0,0,0|1,1,1]=4 367 B2R0.1 N#[13C][Cu] 102009 [1,0,0,0,0,0|2,0,1]=4 368 B2R0.1 N#[13C][K] 102022 [1,0,0,0,0,0|2,0,1]=4 369 B2R0.1 N=CN 091852 [1,0,0,0,0,0|2,0,0]=3 370 B2R0.1 NC=O 099032 [1,0,0,0,0,0|1,0,0]=2 371 B2R0.1 NC=O 099410 [1,0,0,0,0,0|1,0,0]=2 372 B2R0.1 O=CO 080324 [1,0,0,0,0,0|0,0,0]=1 373 B2R0.1 O=CO 093996 [1,0,0,0,0,0|0,0,0]=1 374 B2R0.1 O=CO 105096 [1,0,0,0,0,0|0,0,0]=1 375 B2R0.1 O=CO 105523 [1,0,0,0,0,0|0,0,0]=1 376 B2R0.1 O=C[O-] 094457 [1,0,0,0,0,0|0,0,1]=2 377 B2R0.1 O=C[O-] 094820 [1,0,0,0,0,0|0,0,1]=2 378 B2R0.1 O=C[O-] 095809 [1,0,0,0,0,0|0,0,1]=2 379 B2R0.1 O=C[O-] 102560 [1,0,0,0,0,0|0,0,1]=2 380 B2R0.1 O=C[O-] 494107 [1,0,0,0,0,0|0,0,1]=2 381 B2R0.1 O=N[O-] 035920 [1,0,0,0,0,0|1,0,1]=3 382 B2R0.1 O=N[O-] 099177 [1,0,0,0,0,0|1,0,1]=3 383 B2R0.1 O=N[O-] 099451 [1,0,0,0,0,0|1,0,1]=3 384 B2R0.1 O=N[O-] 102425 [1,0,0,0,0,0|1,0,1]=3 385 B2R0.1 O=N[O-] 102838 [1,0,0,0,0,0|1,0,1]=3 386 B2R0.1 O=N[O-] 492496 [1,0,0,0,0,0|1,0,1]=3 387 B2R0.1 O=[Cr]=O 098844 [1,0,0,0,0,0|1,0,1]=3 388 B2R0.1 O=[Mn]=O 094454 [1,0,0,0,0,0|1,0,1]=3 389 B2R0.1 O=[Mo]=O 245629 [1,0,0,0,0,0|1,0,1]=3 390 B2R0.1 O=[Ru]=O 051245 [1,0,0,0,0,0|1,0,1]=3 391 B2R0.1 O=[Ru]=O 104837 [1,0,0,0,0,0|1,0,1]=3 392 B2R0.1 O=[Sb-]=O 105583 [1,0,0,0,0,0|1,0,1]=3 393 B2R0.1 O=[Se]=O 097778 [1,0,0,0,0,0|1,0,1]=3 394 B2R0.1 O=[Si]=O 098442 [1,0,0,0,0,0|0,1,1]=3 395 B2R0.1 O=[Si]=O 099075 [1,0,0,0,0,0|0,1,1]=3 396 B2R0.1 O=[Si]=O 099275 [1,0,0,0,0,0|0,1,1]=3 397 B2R0.1 O=[Si]=O 099442 [1,0,0,0,0,0|0,1,1]=3 398 B2R0.1 O=[Si]=O 099546 [1,0,0,0,0,0|0,1,1]=3 399 B2R0.1 O=[Si]=O 099883 [1,0,0,0,0,0|0,1,1]=3 400 B2R0.1 O=[Si]=O 104723 [1,0,0,0,0,0|0,1,1]=3 401 B2R0.1 O=[Si]=O 105677 [1,0,0,0,0,0|0,1,1]=3 402 B2R0.1 O=[Si]=O 105915 [1,0,0,0,0,0|0,1,1]=3 403 B2R0.1 O=[Si]=O S25266 [1,0,0,0,0,0|0,1,1]=3 404 B2R0.1 O=[Ti]=O 098934 [1,0,0,0,0,0|1,0,1]=3 405 B2R0.1 O=[Ti]=O 105936 [1,0,0,0,0,0|1,0,1]=3 406 B2R0.1 O[Ba]O 098840 [1,0,0,0,0,0|1,0,1]=3 407 B2R0.1 O[Pd]O 075132 [1,0,0,0,0,0|1,0,1]=3 408 B2R0.1 S=C=S 098975 [1,0,0,0,0,0|0,2,1]=4 409 B2R0.1 S=C=S 099443 [1,0,0,0,0,0|0,2,1]=4 410 B2R0.1 S=C=S 102714 [1,0,0,0,0,0|0,2,1]=4 411 B2R0.1 [2H]OC 105206 [1,0,0,0,0,0|2,0,0]=3 412 B2R0.1 [2H]O[2H] 044626 [1,0,0,0,0,0|3,0,0]=4 413 B2R0.1 [Ag]O[Ag] 044724 [1,0,0,0,0,0|3,0,0]=4 414 B2R0.1 [BH3-]C#N 044871 [1,0,0,0,0,0|2,0,1]=4 415 B2R0.1 [Cu]O[Cu] 095805 [1,0,0,0,0,0|3,0,0]=4 416 B2R0.1 [N-]=[N+]=[N-] 094448 [1,0,0,0,0,0|3,0,0]=4 417 B2R0.1 [N-]=[N+]=[N-] 102868 [1,0,0,0,0,0|3,0,0]=4 418 B2R0.1 [N-]=[N+]=[N-] 105975 [1,0,0,0,0,0|3,0,0]=4 419 B2R0.1 [Na]S[Na] 050759 [1,0,0,0,0,0|3,0,0]=4 420 B4R0.1 C#CC(=O)O 167900 [0,1,0,0,0,0|0,0,1]=2 421 B4R0.1 C#CC(C)=O 009078 [0,1,0,0,0,0|1,0,0]=2 422 B4R0.1 C#CC(C)C 155700 [0,1,0,0,0,0|2,0,1]=4 423 B4R0.1 C#CC(C)O 117510 [0,1,0,0,0,0|1,0,1]=3 424 B4R0.1 C#C[C@@H](C)O 093946 [0,1,0,0,0,0|1,0,1]=3 425 B4R0.1 C#C[C@H](C)O 103262 [0,1,0,0,0,0|1,0,1]=3 426 B4R0.1 C=C(C)C=O 533380 [0,1,0,0,0,0|1,0,0]=2 427 B4R0.1 C=C(C)CBr 067665 [0,1,0,0,0,0|2,0,0]=3 428 B4R0.1 C=C(C)CCl 094695 [0,1,0,0,0,0|2,0,0]=3 429 B4R0.1 C=C(C)CO 358232 [0,1,0,0,0,0|1,0,0]=2 430 B4R0.1 C=C(C)CS 038481 [0,1,0,0,0,0|1,1,0]=3 431 B4R0.1 C=C(C)OC 032479 [0,1,0,0,0,0|1,0,0]=2 432 B4R0.1 C=C(Cl)CCl 003399 [0,1,0,0,0,0|2,0,0]=3 433 B4R0.1 C=CC(=O)O 099597 [0,1,0,0,0,0|0,0,1]=2 434 B4R0.1 C=CC(C)=O 099068 [0,1,0,0,0,0|1,0,0]=2 435 B4R0.1 C=CC(C)Cl 099655 [0,1,0,0,0,0|2,0,1]=4 436 B4R0.1 C=CC(C)O 099331 [0,1,0,0,0,0|1,0,1]=3 437 B4R0.1 C=CC(N)=O 047867 [0,1,0,0,0,0|1,0,1]=3 438 B4R0.1 C=CC(N)=O 104581 [0,1,0,0,0,0|1,0,1]=3 439 B4R0.1 CC(=O)C=O 069255 [0,1,0,0,0,0|0,0,1]=2 440 B4R0.1 CC(=O)CCl 099980 [0,1,0,0,0,0|1,0,0]=2 441 B4R0.1 CC(=O)CN 078537 [0,1,0,0,0,0|1,0,0]=2 442 B4R0.1 CC(=O)CO 097598 [0,1,0,0,0,0|0,0,0]=1 443 B4R0.1 CC(=O)NN 049751 [0,1,0,0,0,0|1,0,0]=2 444 B4R0.1 CC(=O)NO 078547 [0,1,0,0,0,0|0,0,0]=1 445 B4R0.1 CC(=O)OO 102863 [0,1,0,0,0,0|0,0,0]=1 446 B4R0.1 CC(=O)O[TlH2] 044421 [0,1,0,0,0,0|0,0,0]=1 447 B4R0.1 CC(Br)C#N 242476 [0,1,0,0,0,0|2,0,1]=4 448 B4R0.1 CC(C)=NO 100400 [0,1,0,0,0,0|1,0,0]=2 449 B4R0.1 CC(C)C#N 095064 [0,1,0,0,0,0|2,0,1]=4 450 B4R0.1 CC(C)C=O 094969 [0,1,0,0,0,0|1,0,1]=3 451 B4R0.1 CC(C)C=O 102748 [0,1,0,0,0,0|1,0,1]=3 452 B4R0.1 CC(C)CBr 097876 [0,1,0,0,0,0|2,0,1]=4 453 B4R0.1 CC(C)CI 005441 [0,1,0,0,0,0|2,0,1]=4 454 B4R0.1 CC(C)CN 094648 [0,1,0,0,0,0|2,0,1]=4 455 B4R0.1 CC(C)CO 098794 [0,1,0,0,0,0|1,0,1]=3 456 B4R0.1 CC(C)CS 097785 [0,1,0,0,0,0|1,1,1]=4 457 B4R0.1 CC(C)NN 023478 [0,1,0,0,0,0|2,0,1]=4 458 B4R0.1 CC(C)NO 049798 [0,1,0,0,0,0|1,0,1]=3 459 B4R0.1 CC(C)ON 049806 [0,1,0,0,0,0|1,0,1]=3 460 B4R0.1 CC(C)[Mg]Br 102695 [0,1,0,0,0,0|2,0,1]=4 461 B4R0.1 CC(C)[Mg]Cl 044829 [0,1,0,0,0,0|2,0,1]=4 462 B4R0.1 CC(C)[Mg]Cl 044854 [0,1,0,0,0,0|2,0,1]=4 463 B4R0.1 CC(Cl)C#N 076018 [0,1,0,0,0,0|2,0,1]=4 464 B4R0.1 CC(Cl)CCl 094620 [0,1,0,0,0,0|2,0,1]=4 465 B4R0.1 CC(N)CN 094789 [0,1,0,0,0,0|2,0,1]=4 466 B4R0.1 CC(N)CO 092185 [0,1,0,0,0,0|1,0,1]=3 467 B4R0.1 CC(O)CBr 001137 [0,1,0,0,0,0|1,0,1]=3 468 B4R0.1 CC(O)CN 099022 [0,1,0,0,0,0|1,0,1]=3 469 B4R0.1 CC(O)CO 492646 [0,1,0,0,0,0|0,0,2]=3 470 B4R0.1 CC=C(C)C 102641 [0,1,0,0,0,0|2,0,0]=3 471 B4R0.1 CCB(O)O 065613 [0,1,0,0,0,0|1,0,1]=3 472 B4R0.1 CCC(=O)Br BR1194 [0,1,0,0,0,0|1,0,0]=2 473 B4R0.1 CCC(=O)Cl 098881 [0,1,0,0,0,0|1,0,0]=2 474 B4R0.1 CCC(=O)O 098214 [0,1,0,0,0,0|0,0,0]=1 475 B4R0.1 CCC(=O)O 104856 [0,1,0,0,0,0|0,0,0]=1 476 B4R0.1 CCC(=O)[O-] 105990 [0,1,0,0,0,0|0,0,1]=2 477 B4R0.1 CCC(=O)[O-] 106505 [0,1,0,0,0,0|0,0,1]=2 478 B4R0.1 CCC(C)=O 046806 [0,1,0,0,0,0|1,0,0]=2 479 B4R0.1 CCC(C)=O 075238 [0,1,0,0,0,0|1,0,0]=2 480 B4R0.1 CCC(C)=O 101973 [0,1,0,0,0,0|1,0,0]=2 481 B4R0.1 CCC(C)=O 102570 [0,1,0,0,0,0|1,0,0]=2 482 B4R0.1 CCC(C)Br 110100 [0,1,0,0,0,0|2,0,1]=4 483 B4R0.1 CCC(C)C 105976 [0,1,0,0,0,0|2,0,1]=4 484 B4R0.1 CCC(C)I 099306 [0,1,0,0,0,0|2,0,1]=4 485 B4R0.1 CCC(C)N 094534 [0,1,0,0,0,0|2,0,1]=4 486 B4R0.1 CCC(C)O 080268 [0,1,0,0,0,0|1,0,1]=3 487 B4R0.1 CCC(C)S 098013 [0,1,0,0,0,0|1,1,1]=4 488 B4R0.1 CCC(N)=O 069325 [0,1,0,0,0,0|1,0,0]=2 489 B4R0.1 CCN(C)C 099918 [0,1,0,0,0,0|3,0,0]=4 490 B4R0.1 CCS(=O)[O-] 035597 [0,1,0,0,0,0|1,0,1]=3 491 B4R0.1 CC[C@H](C)O 036066 [0,1,0,0,0,0|1,0,1]=3 492 B4R0.1 CN(C)C#N 099034 [0,1,0,0,0,0|3,0,0]=4 493 B4R0.1 CN(C)C=O 035911 [0,1,0,0,0,0|2,0,0]=3 494 B4R0.1 CN(C)C=O 046776 [0,1,0,0,0,0|2,0,0]=3 495 B4R0.1 CN(C)C=O 094267 [0,1,0,0,0,0|2,0,0]=3 496 B4R0.1 CN(C)C=O 099894 [0,1,0,0,0,0|2,0,0]=3 497 B4R0.1 CN(C)C=O 106424 [0,1,0,0,0,0|2,0,0]=3 498 B4R0.1 CN(C)C=S 078450 [0,1,0,0,0,0|2,1,0]=4 499 B4R0.1 CNC(=O)Cl 358405 [0,1,0,0,0,0|1,0,0]=2 500 B4R0.1 CNC(C)=O 154700 [0,1,0,0,0,0|1,0,0]=2 501 B4R0.1 CNC(C)C 094496 [0,1,0,0,0,0|2,0,1]=4 502 B4R0.1 CNC(N)=O 227727 [0,1,0,0,0,0|1,0,0]=2 503 B4R0.1 CNC(N)=S 018883 [0,1,0,0,0,0|1,1,0]=3 504 B4R0.1 CNN(C)C 040144 [0,1,0,0,0,0|3,0,0]=4 505 B4R0.1 COC(=N)N 242831 [0,1,0,0,0,0|2,0,0]=3 506 B4R0.1 COC(=N)N 449588 [0,1,0,0,0,0|2,0,0]=3 507 B4R0.1 COC(=O)Cl 099160 [0,1,0,0,0,0|1,0,0]=2 508 B4R0.1 COC(C)=O 098761 [0,1,0,0,0,0|0,0,0]=1 509 B4R0.1 COC(Cl)Cl 239032 [0,1,0,0,0,0|2,0,1]=4 510 B4R0.1 COC(N)=O 080112 [0,1,0,0,0,0|1,0,0]=2 511 B4R0.1 COC(N)=[NH2+] 079024 [0,1,0,0,0,0|2,0,0]=3 512 B4R0.1 CO[SiH](C)C S07285 [0,1,0,0,0,0|1,1,0]=3 513 B4R0.1 CSC(=N)N 221462 [0,1,0,0,0,0|2,0,0]=3 514 B4R0.1 C[C@@H](N)CO M03439 [0,1,0,0,0,0|1,0,1]=3 515 B4R0.1 C[C@@H](O)CN 234011 [0,1,0,0,0,0|1,0,1]=3 516 B4R0.1 C[C@@H](O)CO 166900 [0,1,0,0,0,0|0,0,2]=3 517 B4R0.1 C[C@H](N)CO M03438 [0,1,0,0,0,0|1,0,1]=3 518 B4R0.1 C[C@H](O)CN 079460 [0,1,0,0,0,0|1,0,1]=3 519 B4R0.1 C[C@H](O)CO 049743 [0,1,0,0,0,0|0,0,2]=3 520 B4R0.1 C[N+](C)=CBr 099927 [0,1,0,0,0,0|3,0,0]=4 521 B4R0.1 C[N+](C)=CCl 046921 [0,1,0,0,0,0|3,0,0]=4 522 B4R0.1 C[SH](C)BCl 102603 [0,1,0,0,0,0|3,0,0]=4 523 B4R0.1 C[SH](C)[Au]Cl 101972 [0,1,0,0,0,0|3,0,0]=4 524 B4R0.1 C\C(N)=N\O 075417 [0,1,0,0,0,0|1,0,0]=2 525 B4R0.1 ClC=C(Cl)Cl 095063 [0,1,0,0,0,0|2,0,1]=4 526 B4R0.1 ClCC(Cl)Cl 520890 [0,1,0,0,0,0|2,0,1]=4 527 B4R0.1 FC(F)CI 034707 [0,1,0,0,0,0|2,0,1]=4 528 B4R0.1 N=C(N)CCl 018354 [0,1,0,0,0,0|2,0,0]=3 529 B4R0.1 N=C(N)NN 047257 [0,1,0,0,0,0|3,0,0]=4 530 B4R0.1 NC(=O)CBr 091505 [0,1,0,0,0,0|1,0,0]=2 531 B4R0.1 NC(=O)CCl 079297 [0,1,0,0,0,0|1,0,0]=2 532 B4R0.1 NC(=O)CI 001085 [0,1,0,0,0,0|1,0,0]=2 533 B4R0.1 NC(=O)CS 069297 [0,1,0,0,0,0|1,0,0]=2 534 B4R0.1 NC(=O)NO 043351 [0,1,0,0,0,0|1,0,0]=2 535 B4R0.1 NCC(=O)O 105741 [0,1,0,0,0,0|0,0,0]=1 536 B4R0.1 NCC(=O)O 229198 [0,1,0,0,0,0|0,0,0]=1 537 B4R0.1 NCC(=O)O M03001 [0,1,0,0,0,0|0,0,0]=1 538 B4R0.1 NCC(=O)[O-] 240909 [0,1,0,0,0,0|0,0,1]=2 539 B4R0.1 NCC(F)F 010670 [0,1,0,0,0,0|2,0,1]=4 540 B4R0.1 NCC(N)=O 078516 [0,1,0,0,0,0|1,0,0]=2 541 B4R0.1 NN=C(N)N 245772 [0,1,0,0,0,0|3,0,0]=4 542 B4R0.1 NNC(N)=O 242276 [0,1,0,0,0,0|2,0,0]=3 543 B4R0.1 NNC(N)=S 078446 [0,1,0,0,0,0|2,1,0]=4 544 B4R0.1 O=C(Br)CBr 004136 [0,1,0,0,0,0|1,0,0]=2 545 B4R0.1 O=C(Cl)CBr 109400 [0,1,0,0,0,0|1,0,0]=2 546 B4R0.1 O=C(Cl)CCl 098899 [0,1,0,0,0,0|1,0,0]=2 547 B4R0.1 O=C(Cl)CCl 099381 [0,1,0,0,0,0|1,0,0]=2 548 B4R0.1 O=C(Cl)SCl 019067 [0,1,0,0,0,0|1,1,0]=3 549 B4R0.1 O=C(O)CBr 004135 [0,1,0,0,0,0|0,0,0]=1 550 B4R0.1 O=C(O)CCl 095375 [0,1,0,0,0,0|0,0,0]=1 551 B4R0.1 O=C(O)CI 520348 [0,1,0,0,0,0|0,0,0]=1 552 B4R0.1 O=C(O)CO 058235 [0,1,0,0,0,0|0,0,0]=1 553 B4R0.1 O=C(O)CO 103022 [0,1,0,0,0,0|0,0,0]=1 554 B4R0.1 O=C(O)CS 097732 [0,1,0,0,0,0|0,0,0]=1 555 B4R0.1 O=C([O-])CCl 099322 [0,1,0,0,0,0|0,0,1]=2 556 B4R0.1 O=C([O-])CO 195404 [0,1,0,0,0,0|0,0,1]=2 557 B4R0.1 O=C([O-])CS 106508 [0,1,0,0,0,0|0,0,1]=2 558 B4R0.1 O=CC(=O)O 095359 [0,1,0,0,0,0|0,0,1]=2 559 B4R0.1 O=S([O-])CO 450343 [0,1,0,0,0,0|1,0,1]=3 560 B4R0.1 O=[N+]([O-])CBr 002518 [0,1,0,0,0,0|1,0,1]=3 561 B4R0.1 OCC(F)F 001565 [0,1,0,0,0,0|2,0,1]=4 562 B4R0.1 ON=C(Br)Br 016179 [0,1,0,0,0,0|2,0,0]=3 563 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [0,1,0,0,0,0|0,0,0]=1 564 B4R0.3 CC(C)(C)Br 001130 [0,1,0,0,0,0|2,0,1]=4 565 B4R0.3 CC(C)(C)Cl 098402 [0,1,0,0,0,0|2,0,1]=4 566 B4R0.3 CC(C)(C)I 099993 [0,1,0,0,0,0|2,0,1]=4 567 B4R0.3 CC(C)(C)N 115200 [0,1,0,0,0,0|2,0,1]=4 568 B4R0.3 CC(C)(C)O 099337 [0,1,0,0,0,0|1,0,1]=3 569 B4R0.3 CC(C)(C)O 101619 [0,1,0,0,0,0|1,0,1]=3 570 B4R0.3 CC(C)(C)O 114800 [0,1,0,0,0,0|1,0,1]=3 571 B4R0.3 CC(C)(C)S 098849 [0,1,0,0,0,0|1,1,1]=4 572 B4R0.3 CC(C)(C)[NH3+] 180020 [0,1,0,0,0,0|2,0,1]=4 573 B4R0.3 CC(C)(C)[O-] 075285 [0,1,0,0,0,0|1,0,2]=4 574 B4R0.3 CC(C)(C)[O-] 094715 [0,1,0,0,0,0|1,0,2]=4 575 B4R0.3 CC(C)(C)[O-] 098876 [0,1,0,0,0,0|1,0,2]=4 576 B4R0.3 CC(C)(C)[O-] 099909 [0,1,0,0,0,0|1,0,2]=4 577 B4R0.3 CC(C)(C)[O-] 099913 [0,1,0,0,0,0|1,0,2]=4 578 B4R0.3 CC(C)(C)[O-] 101995 [0,1,0,0,0,0|1,0,2]=4 579 B4R0.3 CC(C)(C)[O-] 101996 [0,1,0,0,0,0|1,0,2]=4 580 B4R0.3 CC(C)(C)[O-] 102718 [0,1,0,0,0,0|1,0,2]=4 581 B4R0.3 CC(C)(C)[O-] 102924 [0,1,0,0,0,0|1,0,2]=4 582 B4R0.3 CC(C)(C)[O-] 102975 [0,1,0,0,0,0|1,0,2]=4 583 B4R0.3 CC(C)(C)[O-] 166800 [0,1,0,0,0,0|1,0,2]=4 584 B4R0.3 CC(C)(C)[S-] 094744 [0,1,0,0,0,0|1,1,1]=4 585 B4R0.3 CS(=O)(=O)Cl 009736 [0,1,0,0,0,0|1,0,1]=3 586 B4R0.3 CS(=O)(=O)F 002449 [0,1,0,0,0,0|1,0,1]=3 587 B4R0.3 CS(=O)(=O)O 104028 [0,1,0,0,0,0|1,0,0]=2 588 B4R0.3 CS(=O)(=O)O 152800 [0,1,0,0,0,0|1,0,0]=2 589 B4R0.3 CS(C)(=O)=O 358427 [0,1,0,0,0,0|1,0,1]=3 590 B4R0.3 CS(N)(=O)=O 003505 [0,1,0,0,0,0|1,0,1]=3 591 B4R0.3 C[B-](F)(F)F 235519 [0,1,0,0,0,0|3,0,0]=4 592 B4R0.3 C[N+](C)(C)C 007410 [0,1,0,0,0,0|3,0,0]=4 593 B4R0.3 C[N+](C)(C)C 094874 [0,1,0,0,0,0|3,0,0]=4 594 B4R0.3 C[N+](C)(C)C 235638 [0,1,0,0,0,0|3,0,0]=4 595 B4R0.3 C[N+](C)(C)C 235648 [0,1,0,0,0,0|3,0,0]=4 596 B4R0.3 C[N+](C)(C)C 243001 [0,1,0,0,0,0|3,0,0]=4 597 B4R0.3 C[N+](C)(C)C 243005 [0,1,0,0,0,0|3,0,0]=4 598 B4R0.3 C[N+](C)(C)C 243009 [0,1,0,0,0,0|3,0,0]=4 599 B4R0.3 C[N+](C)(C)C 245926 [0,1,0,0,0,0|3,0,0]=4 600 B4R0.3 C[N+](C)(C)C 494404 [0,1,0,0,0,0|3,0,0]=4 601 B4R0.3 C[N+](C)(C)N 180739 [0,1,0,0,0,0|3,0,0]=4 602 B4R0.3 C[N+](C)(C)[O-] 099503 [0,1,0,0,0,0|2,0,1]=4 603 B4R0.3 C[Re](=O)(=O)=O 050673 [0,1,0,0,0,0|1,0,1]=3 604 B4R0.3 C[S+](C)(C)=O 053301 [0,1,0,0,0,0|2,0,0]=3 605 B4R0.3 C[S+](C)(C)=O 175100 [0,1,0,0,0,0|2,0,0]=3 606 B4R0.3 C[Si](C)(C)Br S03130 [0,1,0,0,0,0|2,1,0]=4 607 B4R0.3 C[Si](C)(C)C 245777 [0,1,0,0,0,0|2,1,0]=4 608 B4R0.3 C[Si](C)(C)C S16225 [0,1,0,0,0,0|2,1,0]=4 609 B4R0.3 C[Si](C)(C)Cl 005289 [0,1,0,0,0,0|2,1,0]=4 610 B4R0.3 C[Si](C)(C)I 002677 [0,1,0,0,0,0|2,1,0]=4 611 B4R0.3 C[Si](C)(C)O 078729 [0,1,0,0,0,0|1,1,0]=3 612 B4R0.3 C[Si](C)(C)[O-] 097626 [0,1,0,0,0,0|1,1,1]=4 613 B4R0.3 C[Si](C)(C)[O-] S15125 [0,1,0,0,0,0|1,1,1]=4 614 B4R0.3 C[Si](C)(C)[O-] S25261 [0,1,0,0,0,0|1,1,1]=4 615 B4R0.3 C[Si](Cl)(Cl)Cl 005003 [0,1,0,0,0,0|2,1,0]=4 616 B4R0.3 C[Si]([O-])(O)O S15050 [0,1,0,0,0,0|0,1,1]=3 617 B4R0.3 C[Sn](C)(C)C 095068 [0,1,0,0,0,0|3,0,0]=4 618 B4R0.3 NS(=O)(=O)O 093965 [0,1,0,0,0,0|2,0,0]=3 619 B4R0.3 NS(=O)(=O)O 103807 [0,1,0,0,0,0|2,0,0]=3 620 B4R0.3 NS(=O)(=O)[O-] 101513 [0,1,0,0,0,0|2,0,1]=4 621 B4R0.3 NS(=O)(=O)[O-] 242178 [0,1,0,0,0,0|2,0,1]=4 622 B4R0.3 NS(N)(=O)=O 208597 [0,1,0,0,0,0|2,0,1]=4 623 B4R0.3 O=Cl(=O)(=O)O 104741 [0,1,0,0,0,0|2,0,0]=3 624 B4R0.3 O=Cl(=O)(=O)[O-] 098884 [0,1,0,0,0,0|2,0,1]=4 625 B4R0.3 O=Cl(=O)(=O)[O-] 098945 [0,1,0,0,0,0|2,0,1]=4 626 B4R0.3 O=Cl(=O)(=O)[O-] 102999 [0,1,0,0,0,0|2,0,1]=4 627 B4R0.3 O=Cl(=O)(=O)[O-] 245846 [0,1,0,0,0,0|2,0,1]=4 628 B4R0.3 O=I(=O)(=O)O 099761 [0,1,0,0,0,0|2,0,0]=3 629 B4R0.3 O=I(=O)(=O)[O-] 033232 [0,1,0,0,0,0|2,0,1]=4 630 B4R0.3 O=P(Br)(Br)Br 075990 [0,1,0,0,0,0|3,0,0]=4 631 B4R0.3 O=P(Br)(Br)Br 098406 [0,1,0,0,0,0|3,0,0]=4 632 B4R0.3 O=P(Cl)(Cl)Cl 075300 [0,1,0,0,0,0|3,0,0]=4 633 B4R0.3 O=P(O)(F)F 010227 [0,1,0,0,0,0|2,0,0]=3 634 B4R0.3 O=P(O)(O)O 094524 [0,1,0,0,0,0|2,0,0]=3 635 B4R0.3 O=P(O)(O)O 094676 [0,1,0,0,0,0|2,0,0]=3 636 B4R0.3 O=P(O)(O)O 099856 [0,1,0,0,0,0|2,0,0]=3 637 B4R0.3 O=P(O)(O)O 102724 [0,1,0,0,0,0|2,0,0]=3 638 B4R0.3 O=P(O)(O)O 102910 [0,1,0,0,0,0|2,0,0]=3 639 B4R0.3 O=P(O)(O)O 102917 [0,1,0,0,0,0|2,0,0]=3 640 B4R0.3 O=P(O)(O)O 105502 [0,1,0,0,0,0|2,0,0]=3 641 B4R0.3 O=P(O)(O)O 106681 [0,1,0,0,0,0|2,0,0]=3 642 B4R0.3 O=P([O-])(O)O 094578 [0,1,0,0,0,0|2,0,0]=3 643 B4R0.3 O=P([O-])(O)O 094596 [0,1,0,0,0,0|2,0,0]=3 644 B4R0.3 O=P([O-])(O)O 094741 [0,1,0,0,0,0|2,0,0]=3 645 B4R0.3 O=P([O-])(O)O 095388 [0,1,0,0,0,0|2,0,0]=3 646 B4R0.3 O=P([O-])(O)O 099485 [0,1,0,0,0,0|2,0,0]=3 647 B4R0.3 O=P([O-])(O)O 099682 [0,1,0,0,0,0|2,0,0]=3 648 B4R0.3 O=P([O-])(O)O 102554 [0,1,0,0,0,0|2,0,0]=3 649 B4R0.3 O=P([O-])(O)O 102716 [0,1,0,0,0,0|2,0,0]=3 650 B4R0.3 O=P([O-])(O)O 102948 [0,1,0,0,0,0|2,0,0]=3 651 B4R0.3 O=P([O-])(O)O 103508 [0,1,0,0,0,0|2,0,0]=3 652 B4R0.3 O=P([O-])([O-])F 004350 [0,1,0,0,0,0|2,0,1]=4 653 B4R0.3 O=P([O-])([O-])F 007286 [0,1,0,0,0,0|2,0,1]=4 654 B4R0.3 O=P([O-])([O-])O 094672 [0,1,0,0,0,0|2,0,0]=3 655 B4R0.3 O=P([O-])([O-])O 095370 [0,1,0,0,0,0|2,0,0]=3 656 B4R0.3 O=P([O-])([O-])O 095385 [0,1,0,0,0,0|2,0,0]=3 657 B4R0.3 O=P([O-])([O-])O 099369 [0,1,0,0,0,0|2,0,0]=3 658 B4R0.3 O=P([O-])([O-])O 099396 [0,1,0,0,0,0|2,0,0]=3 659 B4R0.3 O=P([O-])([O-])O 102023 [0,1,0,0,0,0|2,0,0]=3 660 B4R0.3 O=P([O-])([O-])O 102133 [0,1,0,0,0,0|2,0,0]=3 661 B4R0.3 O=P([O-])([O-])O 102134 [0,1,0,0,0,0|2,0,0]=3 662 B4R0.3 O=P([O-])([O-])O 102840 [0,1,0,0,0,0|2,0,0]=3 663 B4R0.3 O=P([O-])([O-])O 102841 [0,1,0,0,0,0|2,0,0]=3 664 B4R0.3 O=P([O-])([O-])O 102909 [0,1,0,0,0,0|2,0,0]=3 665 B4R0.3 O=P([O-])([O-])O 102947 [0,1,0,0,0,0|2,0,0]=3 666 B4R0.3 O=P([O-])([O-])O 104997 [0,1,0,0,0,0|2,0,0]=3 667 B4R0.3 O=P([O-])([O-])O 494403 [0,1,0,0,0,0|2,0,0]=3 668 B4R0.3 O=P([O-])([O-])[O-] 094023 [0,1,0,0,0,0|2,0,1]=4 669 B4R0.3 O=P([O-])([O-])[O-] 097624 [0,1,0,0,0,0|2,0,1]=4 670 B4R0.3 O=P([O-])([O-])[O-] 098209 [0,1,0,0,0,0|2,0,1]=4 671 B4R0.3 O=P([O-])([O-])[O-] 098942 [0,1,0,0,0,0|2,0,1]=4 672 B4R0.3 O=P([O-])([O-])[O-] 099290 [0,1,0,0,0,0|2,0,1]=4 673 B4R0.3 O=P([O-])([O-])[O-] 102146 [0,1,0,0,0,0|2,0,1]=4 674 B4R0.3 O=P([O-])([O-])[O-] 102946 [0,1,0,0,0,0|2,0,1]=4 675 B4R0.3 O=P([O-])([O-])[O-] 106394 [0,1,0,0,0,0|2,0,1]=4 676 B4R0.3 O=P([O-])([O-])[O-] 106756 [0,1,0,0,0,0|2,0,1]=4 677 B4R0.3 O=P([O-])([O-])[O-] 492549 [0,1,0,0,0,0|2,0,1]=4 678 B4R0.3 O=S(=O)(Cl)Cl 099489 [0,1,0,0,0,0|2,0,1]=4 679 B4R0.3 O=S(=O)(O)Cl 044858 [0,1,0,0,0,0|2,0,0]=3 680 B4R0.3 O=S(=O)(O)O 094432 [0,1,0,0,0,0|2,0,0]=3 681 B4R0.3 O=S(=O)(O)O 094702 [0,1,0,0,0,0|2,0,0]=3 682 B4R0.3 O=S(=O)(O)O 098361 [0,1,0,0,0,0|2,0,0]=3 683 B4R0.3 O=S(=O)(O)O 098802 [0,1,0,0,0,0|2,0,0]=3 684 B4R0.3 O=S(=O)(O)O 098842 [0,1,0,0,0,0|2,0,0]=3 685 B4R0.3 O=S(=O)(O)O 099133 [0,1,0,0,0,0|2,0,0]=3 686 B4R0.3 O=S(=O)(O)O 099364 [0,1,0,0,0,0|2,0,0]=3 687 B4R0.3 O=S(=O)(O)O 099477 [0,1,0,0,0,0|2,0,0]=3 688 B4R0.3 O=S(=O)(O)O 099651 [0,1,0,0,0,0|2,0,0]=3 689 B4R0.3 O=S(=O)(O)O 102126 [0,1,0,0,0,0|2,0,0]=3 690 B4R0.3 O=S(=O)(O)O 102138 [0,1,0,0,0,0|2,0,0]=3 691 B4R0.3 O=S(=O)(O)O 102240 [0,1,0,0,0,0|2,0,0]=3 692 B4R0.3 O=S(=O)(O)O 102627 [0,1,0,0,0,0|2,0,0]=3 693 B4R0.3 O=S(=O)(O)O 104078 [0,1,0,0,0,0|2,0,0]=3 694 B4R0.3 O=S(=O)(O)O 104724 [0,1,0,0,0,0|2,0,0]=3 695 B4R0.3 O=S(=O)(O)O 105822 [0,1,0,0,0,0|2,0,0]=3 696 B4R0.3 O=S(=O)(O)O 238783 [0,1,0,0,0,0|2,0,0]=3 697 B4R0.3 O=S(=O)([O-])O 091214 [0,1,0,0,0,0|2,0,0]=3 698 B4R0.3 O=S(=O)([O-])O 097620 [0,1,0,0,0,0|2,0,0]=3 699 B4R0.3 O=S(=O)([O-])O 102957 [0,1,0,0,0,0|2,0,0]=3 700 B4R0.3 O=S(=O)([O-])[O-] 044701 [0,1,0,0,0,0|2,0,1]=4 701 B4R0.3 O=S(=O)([O-])[O-] 044702 [0,1,0,0,0,0|2,0,1]=4 702 B4R0.3 O=S(=O)([O-])[O-] 044725 [0,1,0,0,0,0|2,0,1]=4 703 B4R0.3 O=S(=O)([O-])[O-] 050637 [0,1,0,0,0,0|2,0,1]=4 704 B4R0.3 O=S(=O)([O-])[O-] 094405 [0,1,0,0,0,0|2,0,1]=4 705 B4R0.3 O=S(=O)([O-])[O-] 094604 [0,1,0,0,0,0|2,0,1]=4 706 B4R0.3 O=S(=O)([O-])[O-] 094670 [0,1,0,0,0,0|2,0,1]=4 707 B4R0.3 O=S(=O)([O-])[O-] 094745 [0,1,0,0,0,0|2,0,1]=4 708 B4R0.3 O=S(=O)([O-])[O-] 094788 [0,1,0,0,0,0|2,0,1]=4 709 B4R0.3 O=S(=O)([O-])[O-] 094796 [0,1,0,0,0,0|2,0,1]=4 710 B4R0.3 O=S(=O)([O-])[O-] 095808 [0,1,0,0,0,0|2,0,1]=4 711 B4R0.3 O=S(=O)([O-])[O-] 098111 [0,1,0,0,0,0|2,0,1]=4 712 B4R0.3 O=S(=O)([O-])[O-] 098112 [0,1,0,0,0,0|2,0,1]=4 713 B4R0.3 O=S(=O)([O-])[O-] 098113 [0,1,0,0,0,0|2,0,1]=4 714 B4R0.3 O=S(=O)([O-])[O-] 098114 [0,1,0,0,0,0|2,0,1]=4 715 B4R0.3 O=S(=O)([O-])[O-] 098115 [0,1,0,0,0,0|2,0,1]=4 716 B4R0.3 O=S(=O)([O-])[O-] 098204 [0,1,0,0,0,0|2,0,1]=4 717 B4R0.3 O=S(=O)([O-])[O-] 098205 [0,1,0,0,0,0|2,0,1]=4 718 B4R0.3 O=S(=O)([O-])[O-] 098210 [0,1,0,0,0,0|2,0,1]=4 719 B4R0.3 O=S(=O)([O-])[O-] 098533 [0,1,0,0,0,0|2,0,1]=4 720 B4R0.3 O=S(=O)([O-])[O-] 098813 [0,1,0,0,0,0|2,0,1]=4 721 B4R0.3 O=S(=O)([O-])[O-] 099417 [0,1,0,0,0,0|2,0,1]=4 722 B4R0.3 O=S(=O)([O-])[O-] 099501 [0,1,0,0,0,0|2,0,1]=4 723 B4R0.3 O=S(=O)([O-])[O-] 099690 [0,1,0,0,0,0|2,0,1]=4 724 B4R0.3 O=S(=O)([O-])[O-] 099728 [0,1,0,0,0,0|2,0,1]=4 725 B4R0.3 O=S(=O)([O-])[O-] 099747 [0,1,0,0,0,0|2,0,1]=4 726 B4R0.3 O=S(=O)([O-])[O-] 101922 [0,1,0,0,0,0|2,0,1]=4 727 B4R0.3 O=S(=O)([O-])[O-] 101998 [0,1,0,0,0,0|2,0,1]=4 728 B4R0.3 O=S(=O)([O-])[O-] 102109 [0,1,0,0,0,0|2,0,1]=4 729 B4R0.3 O=S(=O)([O-])[O-] 102176 [0,1,0,0,0,0|2,0,1]=4 730 B4R0.3 O=S(=O)([O-])[O-] 102374 [0,1,0,0,0,0|2,0,1]=4 731 B4R0.3 O=S(=O)([O-])[O-] 102567 [0,1,0,0,0,0|2,0,1]=4 732 B4R0.3 O=S(=O)([O-])[O-] 102706 [0,1,0,0,0,0|2,0,1]=4 733 B4R0.3 O=S(=O)([O-])[O-] 102752 [0,1,0,0,0,0|2,0,1]=4 734 B4R0.3 O=S(=O)([O-])[O-] 102885 [0,1,0,0,0,0|2,0,1]=4 735 B4R0.3 O=S(=O)([O-])[O-] 102956 [0,1,0,0,0,0|2,0,1]=4 736 B4R0.3 O=S(=O)([O-])[O-] 103012 [0,1,0,0,0,0|2,0,1]=4 737 B4R0.3 O=S(=O)([O-])[O-] 103530 [0,1,0,0,0,0|2,0,1]=4 738 B4R0.3 O=S(=O)([O-])[O-] 103531 [0,1,0,0,0,0|2,0,1]=4 739 B4R0.3 O=S(=O)([O-])[O-] 103627 [0,1,0,0,0,0|2,0,1]=4 740 B4R0.3 O=S(=O)([O-])[O-] 103690 [0,1,0,0,0,0|2,0,1]=4 741 B4R0.3 O=S(=O)([O-])[O-] 103941 [0,1,0,0,0,0|2,0,1]=4 742 B4R0.3 O=S(=O)([O-])[O-] 105546 [0,1,0,0,0,0|2,0,1]=4 743 B4R0.3 O=S(=O)([O-])[O-] 190872 [0,1,0,0,0,0|2,0,1]=4 744 B4R0.3 O=S(=O)([O-])[O-] 492445 [0,1,0,0,0,0|2,0,1]=4 745 B4R0.3 O=S(=O)([O-])[O-] 492449 [0,1,0,0,0,0|2,0,1]=4 746 B4R0.3 O=S(=O)([O-])[O-] 492456 [0,1,0,0,0,0|2,0,1]=4 747 B4R0.3 O=S(=O)([O-])[O-] 492479 [0,1,0,0,0,0|2,0,1]=4 748 B4R0.3 O=S(=O)([O-])[O-] 492488 [0,1,0,0,0,0|2,0,1]=4 749 B4R0.3 O=S(=O)([O-])[O-] 494088 [0,1,0,0,0,0|2,0,1]=4 750 B4R0.3 O=S(=O)([O-])[O-] 494091 [0,1,0,0,0,0|2,0,1]=4 751 B4R0.3 O=S(=O)([O-])[O-] 494340 [0,1,0,0,0,0|2,0,1]=4 752 B4R0.3 O=S(=O)([O-])[O-] 494401 [0,1,0,0,0,0|2,0,1]=4 753 B4R0.3 O=S(=O)([O-])[O-] M06297 [0,1,0,0,0,0|2,0,1]=4 754 B4R0.3 O=S(=O)([O-])[S-] 098838 [0,1,0,0,0,0|2,0,1]=4 755 B4R0.3 O=S(=O)([O-])[S-] 101888 [0,1,0,0,0,0|2,0,1]=4 756 B4R0.3 O=S(=O)([O-])[S-] 102835 [0,1,0,0,0,0|2,0,1]=4 757 B4R0.3 O=S(=O)([O-])[S-] 102923 [0,1,0,0,0,0|2,0,1]=4 758 B4R0.3 O=S([O-])([O-])=S 044732 [0,1,0,0,0,0|2,0,1]=4 759 B4R0.3 O=S([O-])([O-])=S 075217 [0,1,0,0,0,0|2,0,1]=4 760 B4R0.3 O=S([O-])([O-])=S 101649 [0,1,0,0,0,0|2,0,1]=4 761 B4R0.3 O=S([O-])([O-])=S 102104 [0,1,0,0,0,0|2,0,1]=4 762 B4R0.3 O=[As]([O-])([O-])O 494352 [0,1,0,0,0,0|2,0,0]=3 763 B4R0.3 O=[Cl+](=O)([O-])[O-] 103554 [0,1,0,0,0,0|2,0,1]=4 764 B4R0.3 O=[Cl+](=O)([O-])[O-] 494343 [0,1,0,0,0,0|2,0,1]=4 765 B4R0.3 O=[Cl+](=O)([O-])[O-] 494345 [0,1,0,0,0,0|2,0,1]=4 766 B4R0.3 O=[Mn](=O)(=O)[O-] 075237 [0,1,0,0,0,0|2,0,1]=4 767 B4R0.3 O=[Mn](=O)(=O)[O-] 101658 [0,1,0,0,0,0|2,0,1]=4 768 B4R0.3 O=[Mo](=O)(O)O 094597 [0,1,0,0,0,0|2,0,0]=3 769 B4R0.3 O=[Mo](=O)(O)O 102688 [0,1,0,0,0,0|2,0,0]=3 770 B4R0.3 O=[Os](=O)([O-])[O-] 235901 [0,1,0,0,0,0|2,0,1]=4 771 B4R0.3 O=[V-3](=O)(=O)=O 103291 [0,1,0,0,0,0|2,0,1]=4 772 B4R0.3 O=[W](=O)(O)O 095122 [0,1,0,0,0,0|2,0,0]=3 773 B4R0.3 O=[W](=O)([O-])[O-] 095123 [0,1,0,0,0,0|2,0,1]=4 774 B4R0.3 O=[W](=O)([O-])[O-] 101567 [0,1,0,0,0,0|2,0,1]=4 775 B4R0.3 O[Si](O)(O)O 105547 [0,1,0,0,0,0|1,1,1]=4 776 B4R1.2 BrC1CC1 003373 [0,0,0,1,0,0|2,0,1]=4 777 B4R1.2 CC1CN1 099002 [0,0,0,1,0,0|2,0,1]=4 778 B4R1.2 CC1CO1 099315 [0,0,0,1,0,0|1,0,1]=3 779 B4R1.2 C[C@@H]1CO1 044883 [0,0,0,1,0,0|1,0,1]=3 780 B4R1.2 C[C@H]1CO1 216312 [0,0,0,1,0,0|1,0,1]=3 781 B4R1.2 NC1CC1 003712 [0,0,0,1,0,0|2,0,1]=4 782 B1R0.1 BrBr BR1014 [2,0,0,0,0,0|2,0,0]=4 783 B1R0.1 C=O 098760 [2,0,0,0,0,0|0,0,0]=2 784 B1R0.1 C=O 106941 [2,0,0,0,0,0|0,0,0]=2 785 B1R0.1 CI 001363 [2,0,0,0,0,0|1,0,0]=3 786 B1R0.1 CI 105850 [2,0,0,0,0,0|1,0,0]=3 787 B1R0.1 CO 035910 [2,0,0,0,0,0|0,0,0]=2 788 B1R0.1 CO 046842 [2,0,0,0,0,0|0,0,0]=2 789 B1R0.1 CO 099785 [2,0,0,0,0,0|0,0,0]=2 790 B1R0.1 CO 102160 [2,0,0,0,0,0|0,0,0]=2 791 B1R0.1 CO 103139 [2,0,0,0,0,0|0,0,0]=2 792 B1R0.1 CO 105528 [2,0,0,0,0,0|0,0,0]=2 793 B1R0.1 CO 107038 [2,0,0,0,0,0|0,0,0]=2 794 B1R0.1 CO 107039 [2,0,0,0,0,0|0,0,0]=2 795 B1R0.1 C[O-] 044714 [2,0,0,0,0,0|0,0,1]=3 796 B1R0.1 C[O-] 076023 [2,0,0,0,0,0|0,0,1]=3 797 B1R0.1 C[O-] 102696 [2,0,0,0,0,0|0,0,1]=3 798 B1R0.1 C[O-] 106385 [2,0,0,0,0,0|0,0,1]=3 799 B1R0.1 C[O-] 106868 [2,0,0,0,0,0|0,0,1]=3 800 B1R0.1 C[S-] 098903 [2,0,0,0,0,0|0,1,0]=3 801 B1R0.1 C[S-] 101528 [2,0,0,0,0,0|0,1,0]=3 802 B1R0.1 Cl[Cs] 103515 [2,0,0,0,0,0|2,0,0]=4 803 B1R0.1 Cl[Cu] 099301 [2,0,0,0,0,0|2,0,0]=4 804 B1R0.1 Cl[Cu] 105901 [2,0,0,0,0,0|2,0,0]=4 805 B1R0.1 F[Ag] 002862 [2,0,0,0,0,0|2,0,0]=4 806 B1R0.1 F[Cs] 001648 [2,0,0,0,0,0|2,0,0]=4 807 B1R0.1 F[Cs] 103908 [2,0,0,0,0,0|2,0,0]=4 808 B1R0.1 F[K] 003835 [2,0,0,0,0,0|2,0,0]=4 809 B1R0.1 F[Na] 007273 [2,0,0,0,0,0|2,0,0]=4 810 B1R0.1 NN 044928 [2,0,0,0,0,0|2,0,0]=4 811 B1R0.1 NN 094665 [2,0,0,0,0,0|2,0,0]=4 812 B1R0.1 NN 099362 [2,0,0,0,0,0|2,0,0]=4 813 B1R0.1 NN 102673 [2,0,0,0,0,0|2,0,0]=4 814 B1R0.1 NN 104962 [2,0,0,0,0,0|2,0,0]=4 815 B1R0.1 NN 105635 [2,0,0,0,0,0|2,0,0]=4 816 B1R0.1 NN 227701 [2,0,0,0,0,0|2,0,0]=4 817 B1R0.1 NN 464435 [2,0,0,0,0,0|2,0,0]=4 818 B1R0.1 NO 044867 [2,0,0,0,0,0|1,0,0]=3 819 B1R0.1 NO 069272 [2,0,0,0,0,0|1,0,0]=3 820 B1R0.1 NO 099754 [2,0,0,0,0,0|1,0,0]=3 821 B1R0.1 O=[Ba] 103573 [2,0,0,0,0,0|1,0,0]=3 822 B1R0.1 O=[Ca] 098952 [2,0,0,0,0,0|1,0,0]=3 823 B1R0.1 O=[Ca] 105097 [2,0,0,0,0,0|1,0,0]=3 824 B1R0.1 O=[Hf] 099766 [2,0,0,0,0,0|1,0,0]=3 825 B1R0.1 O=[Hg] 493810 [2,0,0,0,0,0|1,0,0]=3 826 B1R0.1 O=[Hg] 493848 [2,0,0,0,0,0|1,0,0]=3 827 B1R0.1 O=[Mg] 101496 [2,0,0,0,0,0|1,0,0]=3 828 B1R0.1 O=[Mg] 104205 [2,0,0,0,0,0|1,0,0]=3 829 B1R0.1 O=[Zn] 098358 [2,0,0,0,0,0|1,0,0]=3 830 B1R0.1 OO 044711 [2,0,0,0,0,0|0,0,1]=3 831 B1R0.1 OO 102444 [2,0,0,0,0,0|0,0,1]=3 832 B1R0.1 OO 105038 [2,0,0,0,0,0|0,0,1]=3 833 B1R0.1 [2H]Cl 104377 [2,0,0,0,0,0|2,0,0]=4 834 B1R0.1 [2H][O-] 103656 [2,0,0,0,0,0|1,0,1]=4 835 B1R0.1 [2H][O-] 104465 [2,0,0,0,0,0|1,0,1]=4 836 B1R0.1 [C-]#N 044709 [2,0,0,0,0,0|1,0,1]=4 837 B1R0.1 [C-]#N 094403 [2,0,0,0,0,0|1,0,1]=4 838 B1R0.1 [C-]#N 099510 [2,0,0,0,0,0|1,0,1]=4 839 B1R0.1 [C-]#N 101893 [2,0,0,0,0,0|1,0,1]=4 840 B1R0.1 [C-]#N 102136 [2,0,0,0,0,0|1,0,1]=4 841 B1R0.1 [C-]#N 102974 [2,0,0,0,0,0|1,0,1]=4 842 B1R0.1 [C-]#N 103556 [2,0,0,0,0,0|1,0,1]=4 843 B1R0.1 [C-]#[C-] 099600 [2,0,0,0,0,0|0,0,2]=4 844 B1R0.1 [C-]#[C-] 104831 [2,0,0,0,0,0|0,0,2]=4 845 B1R0.1 [C-]#[O+] 050113 [2,0,0,0,0,0|0,0,2]=4 846 B1R0.1 [C-]#[O+] 050114 [2,0,0,0,0,0|0,0,2]=4 847 B1R0.1 [Cu]Br 044716 [2,0,0,0,0,0|2,0,0]=4 848 B1R0.1 [Cu]Br 102617 [2,0,0,0,0,0|2,0,0]=4 849 B1R0.1 [Cu]I 044771 [2,0,0,0,0,0|2,0,0]=4 850 B1R0.1 [Cu]I 102597 [2,0,0,0,0,0|2,0,0]=4 851 B1R0.1 [Cu]I 103768 [2,0,0,0,0,0|2,0,0]=4 852 B1R0.1 [Cu][Zn] 001790 [2,0,0,0,0,0|2,0,0]=4 853 B1R0.1 [Li]Br 009859 [2,0,0,0,0,0|2,0,0]=4 854 B1R0.1 [Na]I 009863 [2,0,0,0,0,0|2,0,0]=4 855 B1R0.1 [O-]Cl 101471 [2,0,0,0,0,0|1,0,1]=4 856 B1R0.1 [O-]Cl 103589 [2,0,0,0,0,0|1,0,1]=4 857 B1R0.1 [O-][O-] 101466 [2,0,0,0,0,0|0,0,2]=4 858 B1R0.1 [O-][O-] 102858 [2,0,0,0,0,0|0,0,2]=4 859 B3R0.1 BrCCBr 050675 [1,1,0,0,0,0|1,0,1]=4 860 B3R0.1 C#CCBr 167400 [1,1,0,0,0,0|1,0,1]=4 861 B3R0.1 C#CCN 046876 [1,1,0,0,0,0|1,0,1]=4 862 B3R0.1 C#CCN 062949 [1,1,0,0,0,0|1,0,1]=4 863 B3R0.1 C#CCO 167200 [1,1,0,0,0,0|0,0,2]=4 864 B3R0.1 C=CC#N 102466 [1,1,0,0,0,0|1,0,1]=4 865 B3R0.1 C=CCBr BR1119 [1,1,0,0,0,0|1,0,0]=3 866 B3R0.1 C=CCC 098927 [1,1,0,0,0,0|1,0,0]=3 867 B3R0.1 C=CCCl 094723 [1,1,0,0,0,0|1,0,0]=3 868 B3R0.1 C=CCI 001263 [1,1,0,0,0,0|1,0,0]=3 869 B3R0.1 C=CCN 099131 [1,1,0,0,0,0|1,0,0]=3 870 B3R0.1 C=CCO 099676 [1,1,0,0,0,0|0,0,1]=3 871 B3R0.1 C=CCS 099583 [1,1,0,0,0,0|1,0,0]=3 872 B3R0.1 CC#CC 117205 [1,1,0,0,0,0|1,0,1]=4 873 B3R0.1 CCC#N 094907 [1,1,0,0,0,0|1,0,1]=4 874 B3R0.1 CCC=O 094974 [1,1,0,0,0,0|0,0,0]=2 875 B3R0.1 CCCBr BR1117 [1,1,0,0,0,0|1,0,1]=4 876 B3R0.1 CCCI 005438 [1,1,0,0,0,0|1,0,1]=4 877 B3R0.1 CCCN 101445 [1,1,0,0,0,0|1,0,1]=4 878 B3R0.1 CCCO 098913 [1,1,0,0,0,0|0,0,1]=3 879 B3R0.1 CCCO 102042 [1,1,0,0,0,0|0,0,1]=3 880 B3R0.1 CCCS 098010 [1,1,0,0,0,0|0,1,1]=4 881 B3R0.1 CCC[S-] 104640 [1,1,0,0,0,0|0,1,1]=4 882 B3R0.1 CCNC 044624 [1,1,0,0,0,0|1,0,1]=4 883 B3R0.1 CCON 092211 [1,1,0,0,0,0|0,0,1]=3 884 B3R0.1 CNC=O 098971 [1,1,0,0,0,0|0,0,0]=2 885 B3R0.1 CNNC 446438 [1,1,0,0,0,0|2,0,0]=4 886 B3R0.1 CNOC 023913 [1,1,0,0,0,0|1,0,0]=3 887 B3R0.1 COC=O 101914 [1,1,0,0,0,0|0,0,0]=2 888 B3R0.1 COCBr 005432 [1,1,0,0,0,0|1,0,1]=4 889 B3R0.1 CSC#N 002936 [1,1,0,0,0,0|1,0,1]=4 890 B3R0.1 CSCCl 075261 [1,1,0,0,0,0|1,0,1]=4 891 B3R0.1 CSSC 094878 [1,1,0,0,0,0|1,1,0]=4 892 B3R0.1 C\C=C/C 105248 [1,1,0,0,0,0|1,0,0]=3 893 B3R0.1 C\C=C\C 102601 [1,1,0,0,0,0|1,0,0]=3 894 B3R0.1 C\C=N\O 102319 [1,1,0,0,0,0|0,0,0]=2 895 B3R0.1 C\C=N\O 358241 [1,1,0,0,0,0|0,0,0]=2 896 B3R0.1 ClCCBr BR1051 [1,1,0,0,0,0|1,0,1]=4 897 B3R0.1 ClCCCl 043318 [1,1,0,0,0,0|1,0,1]=4 898 B3R0.1 ClCCCl 102594 [1,1,0,0,0,0|1,0,1]=4 899 B3R0.1 ClCCI 001485 [1,1,0,0,0,0|1,0,1]=4 900 B3R0.1 FCCI 095367 [1,1,0,0,0,0|1,0,1]=4 901 B3R0.1 ICCI 103493 [1,1,0,0,0,0|1,0,1]=4 902 B3R0.1 N#CCBr 001264 [1,1,0,0,0,0|1,0,1]=4 903 B3R0.1 N#CCCl 008863 [1,1,0,0,0,0|1,0,1]=4 904 B3R0.1 N#CCI 001086 [1,1,0,0,0,0|1,0,1]=4 905 B3R0.1 N#CCN 079136 [1,1,0,0,0,0|1,0,1]=4 906 B3R0.1 NCCBr 078524 [1,1,0,0,0,0|1,0,1]=4 907 B3R0.1 NCCCl 119280 [1,1,0,0,0,0|1,0,1]=4 908 B3R0.1 NCCCl 362131 [1,1,0,0,0,0|1,0,1]=4 909 B3R0.1 NCCF 078652 [1,1,0,0,0,0|1,0,1]=4 910 B3R0.1 NCCF 364319 [1,1,0,0,0,0|1,0,1]=4 911 B3R0.1 NCCN 043401 [1,1,0,0,0,0|1,0,1]=4 912 B3R0.1 NCCN 105894 [1,1,0,0,0,0|1,0,1]=4 913 B3R0.1 NCCN 139700 [1,1,0,0,0,0|1,0,1]=4 914 B3R0.1 NCCO 043400 [1,1,0,0,0,0|0,0,1]=3 915 B3R0.1 NCCO 103645 [1,1,0,0,0,0|0,0,1]=3 916 B3R0.1 NCCO 492434 [1,1,0,0,0,0|0,0,1]=3 917 B3R0.1 NCCS 003420 [1,1,0,0,0,0|0,1,1]=4 918 B3R0.1 NNC=O 099623 [1,1,0,0,0,0|1,0,0]=3 919 B3R0.1 O=BOO 094453 [1,1,0,0,0,0|1,0,0]=3 920 B3R0.1 O=CC=O 094007 [1,1,0,0,0,0|0,0,1]=3 921 B3R0.1 O=CCCl 098847 [1,1,0,0,0,0|0,0,0]=2 922 B3R0.1 OCCBr 111300 [1,1,0,0,0,0|0,0,1]=3 923 B3R0.1 OCCCl 094877 [1,1,0,0,0,0|0,0,1]=3 924 B3R0.1 OCCI 001387 [1,1,0,0,0,0|0,0,1]=3 925 B3R0.1 OCCI 102984 [1,1,0,0,0,0|0,0,1]=3 926 B3R0.1 OCCO 044710 [1,1,0,0,0,0|0,0,1]=3 927 B3R0.1 OCCS 003836 [1,1,0,0,0,0|0,0,1]=3 928 B3R0.1 SCCS M03555 [1,1,0,0,0,0|0,1,1]=4 929 B3R0.1 [2H]OCC 101892 [1,1,0,0,0,0|0,0,1]=3 930 B5R0.1 C#CCC(C)O 532537 [0,2,0,0,0,0|1,0,1]=4 931 B5R0.1 C=C(C)CCBr 223736 [0,2,0,0,0,0|2,0,0]=4 932 B5R0.1 C=C(C)CCO 358461 [0,2,0,0,0,0|1,0,0]=3 933 B5R0.1 C=C(C)OCC 471668 [0,2,0,0,0,0|1,0,0]=3 934 B5R0.1 C=COC(C)=O 098012 [0,2,0,0,0,0|0,0,0]=2 935 B5R0.1 CC#CC(=O)O 009075 [0,2,0,0,0,0|0,0,0]=2 936 B5R0.1 CC(=O)CCCl 069833 [0,2,0,0,0,0|1,0,0]=3 937 B5R0.1 CC(=O)CCO 358442 [0,2,0,0,0,0|0,0,0]=2 938 B5R0.1 CC(=O)NCO 430081 [0,2,0,0,0,0|0,0,0]=2 939 B5R0.1 CC(C)=CC=O 386384 [0,2,0,0,0,0|1,0,0]=3 940 B5R0.1 CC(C)=CCBr 053316 [0,2,0,0,0,0|2,0,0]=4 941 B5R0.1 CC(C)=CCCl 349314 [0,2,0,0,0,0|2,0,0]=4 942 B5R0.1 CC(C)=CCO 358414 [0,2,0,0,0,0|1,0,0]=3 943 B5R0.1 CC(C)CC=O 094970 [0,2,0,0,0,0|1,0,1]=4 944 B5R0.1 CC(C)CCO 097704 [0,2,0,0,0,0|1,0,1]=4 945 B5R0.1 CC(C)CCO 103352 [0,2,0,0,0,0|1,0,1]=4 946 B5R0.1 CC(C)NC=O 103706 [0,2,0,0,0,0|1,0,1]=4 947 B5R0.1 CC(O)CCO 099380 [0,2,0,0,0,0|0,0,2]=4 948 B5R0.1 CCCB(O)O 092177 [0,2,0,0,0,0|1,0,1]=4 949 B5R0.1 CCCC(=O)Cl 098879 [0,2,0,0,0,0|1,0,0]=3 950 B5R0.1 CCCC(=O)O 102473 [0,2,0,0,0,0|0,0,0]=2 951 B5R0.1 CCCC(C)O 099024 [0,2,0,0,0,0|1,0,1]=4 952 B5R0.1 CCCC(N)=O 356018 [0,2,0,0,0,0|1,0,0]=3 953 B5R0.1 CCC[C@H](C)O 036089 [0,2,0,0,0,0|1,0,1]=4 954 B5R0.1 CCC[N+](=O)[O-] 520877 [0,2,0,0,0,0|1,0,1]=4 955 B5R0.1 CCNC(N)=S 099168 [0,2,0,0,0,0|1,1,0]=4 956 B5R0.1 CCOC(=N)N 069301 [0,2,0,0,0,0|2,0,0]=4 957 B5R0.1 CCOC(=O)Cl 099901 [0,2,0,0,0,0|1,0,0]=3 958 B5R0.1 CCOC(C)=N 239394 [0,2,0,0,0,0|1,0,0]=3 959 B5R0.1 CCOC(C)=O 035909 [0,2,0,0,0,0|0,0,0]=2 960 B5R0.1 CCOC(C)=O 099553 [0,2,0,0,0,0|0,0,0]=2 961 B5R0.1 CCOC(C)=O 099895 [0,2,0,0,0,0|0,0,0]=2 962 B5R0.1 CCOC(N)=O 099367 [0,2,0,0,0,0|1,0,0]=3 963 B5R0.1 CCSC(=N)N 358408 [0,2,0,0,0,0|2,0,0]=4 964 B5R0.1 CN(C)CCO 044665 [0,2,0,0,0,0|2,0,0]=4 965 B5R0.1 CNCC(=O)O 095119 [0,2,0,0,0,0|0,0,0]=2 966 B5R0.1 COCC(=O)Cl 053542 [0,2,0,0,0,0|1,0,0]=3 967 B5R0.1 COCC(=O)O 237785 [0,2,0,0,0,0|0,0,0]=2 968 B5R0.1 COCC(C)=O 002450 [0,2,0,0,0,0|0,0,0]=2 969 B5R0.1 COCC(C)N 402335 [0,2,0,0,0,0|1,0,1]=4 970 B5R0.1 COCC(C)O 093985 [0,2,0,0,0,0|0,0,2]=4 971 B5R0.1 COC[C@@H](C)N 079780 [0,2,0,0,0,0|1,0,1]=4 972 B5R0.1 COC[C@@H](C)O 036090 [0,2,0,0,0,0|0,0,2]=4 973 B5R0.1 CSCC(=O)O 010416 [0,2,0,0,0,0|0,0,0]=2 974 B5R0.1 CSCC(N)=O 092321 [0,2,0,0,0,0|1,0,0]=3 975 B5R0.1 CSCS(C)=O 303199 [0,2,0,0,0,0|1,1,0]=4 976 B5R0.1 C[C@@H](N)CCO 092790 [0,2,0,0,0,0|1,0,1]=4 977 B5R0.1 C[C@@H](O)CCO 041923 [0,2,0,0,0,0|0,0,2]=4 978 B5R0.1 C[C@H](N)CCO 092789 [0,2,0,0,0,0|1,0,1]=4 979 B5R0.1 C[C@H](O)CCO 041922 [0,2,0,0,0,0|0,0,2]=4 980 B5R0.1 C\C=C\C(=O)Cl 358246 [0,2,0,0,0,0|1,0,0]=3 981 B5R0.1 C\C=C\C(=O)O 092792 [0,2,0,0,0,0|0,0,0]=2 982 B5R0.1 N#CCC(=O)O 098058 [0,2,0,0,0,0|0,0,0]=2 983 B5R0.1 N#CCC(N)=O 094603 [0,2,0,0,0,0|1,0,0]=3 984 B5R0.1 N#CCC(N)=S 093533 [0,2,0,0,0,0|1,1,0]=4 985 B5R0.1 NC(=O)CCBr 456436 [0,2,0,0,0,0|1,0,0]=3 986 B5R0.1 NC(=O)CCCl 180018 [0,2,0,0,0,0|1,0,0]=3 987 B5R0.1 NCCC(=O)O 044720 [0,2,0,0,0,0|0,0,0]=2 988 B5R0.1 NCCC(N)=O 221578 [0,2,0,0,0,0|1,0,0]=3 989 B5R0.1 NOCC(=O)O 222804 [0,2,0,0,0,0|0,0,0]=2 990 B5R0.1 O=C(Cl)CCBr 104627 [0,2,0,0,0,0|1,0,0]=3 991 B5R0.1 O=C(Cl)CCCl 095162 [0,2,0,0,0,0|1,0,0]=3 992 B5R0.1 O=C(Cl)OCCl 320123 [0,2,0,0,0,0|1,0,0]=3 993 B5R0.1 O=C(O)CCBr 003025 [0,2,0,0,0,0|0,0,0]=2 994 B5R0.1 O=C(O)CCCl 242740 [0,2,0,0,0,0|0,0,0]=2 995 B5R0.1 O=C(O)CCI 003069 [0,2,0,0,0,0|0,0,0]=2 996 B5R0.1 O=C(O)CCO 147100 [0,2,0,0,0,0|0,0,0]=2 997 B5R0.1 O=C(O)CCS 094485 [0,2,0,0,0,0|0,0,0]=2 998 B5R0.1 O=[N+]([O-])CCO 358303 [0,2,0,0,0,0|1,0,1]=4 999 B5R0.3 C#CC(=O)OC 067148 [0,2,0,0,0,0|0,0,1]=3 1000 B5R0.3 C#CC(O)CC 164300 [0,2,0,0,0,0|1,0,1]=4 1001 B5R0.3 C=C(CCl)CCl 386371 [0,2,0,0,0,0|2,0,0]=4 1002 B5R0.3 C=C(CO)CO 079496 [0,2,0,0,0,0|1,0,0]=3 1003 B5R0.3 C=CC(=O)NN 094243 [0,2,0,0,0,0|1,0,1]=4 1004 B5R0.3 C=CC(=O)OC 520477 [0,2,0,0,0,0|0,0,1]=3 1005 B5R0.3 C=CC(O)CC 464567 [0,2,0,0,0,0|1,0,1]=4 1006 B5R0.3 C=CC(O)CO 099464 [0,2,0,0,0,0|1,0,1]=4 1007 B5R0.3 CC(CO)CO 242900 [0,2,0,0,0,0|0,0,2]=4 1008 B5R0.3 CCC(=O)CBr 002514 [0,2,0,0,0,0|1,0,0]=3 1009 B5R0.3 CCC(=O)CC 094591 [0,2,0,0,0,0|1,0,0]=3 1010 B5R0.3 CCC(=O)NC 103047 [0,2,0,0,0,0|1,0,0]=3 1011 B5R0.3 CCC(=O)NN 026652 [0,2,0,0,0,0|1,0,0]=3 1012 B5R0.3 CCC(C)C=O 103622 [0,2,0,0,0,0|1,0,1]=4 1013 B5R0.3 CCC(C)CO 358145 [0,2,0,0,0,0|1,0,1]=4 1014 B5R0.3 CCC(N)CO 091481 [0,2,0,0,0,0|1,0,1]=4 1015 B5R0.3 CCC(O)C#N 103338 [0,2,0,0,0,0|1,0,1]=4 1016 B5R0.3 CCC(O)CC 358049 [0,2,0,0,0,0|1,0,1]=4 1017 B5R0.3 CCC(O)CN 002496 [0,2,0,0,0,0|1,0,1]=4 1018 B5R0.3 CCN(O)CC 105777 [0,2,0,0,0,0|2,0,0]=4 1019 B5R0.3 CCN(O)CC 129600 [0,2,0,0,0,0|2,0,0]=4 1020 B5R0.3 CCS(=O)CC 094782 [0,2,0,0,0,0|2,0,0]=4 1021 B5R0.3 CC[C@@H](N)CO 012703 [0,2,0,0,0,0|1,0,1]=4 1022 B5R0.3 CC[C@H](C)CO 473128 [0,2,0,0,0,0|1,0,1]=4 1023 B5R0.3 CC[C@H](N)CO 012704 [0,2,0,0,0,0|1,0,1]=4 1024 B5R0.3 CC\C(C)=N\O 099127 [0,2,0,0,0,0|1,0,0]=3 1025 B5R0.3 CNC(=O)CBr 043828 [0,2,0,0,0,0|1,0,0]=3 1026 B5R0.3 CNC(=O)CCl 094091 [0,2,0,0,0,0|1,0,0]=3 1027 B5R0.3 CNC(=O)CN 075035 [0,2,0,0,0,0|1,0,0]=3 1028 B5R0.3 CNC(=O)NC 358273 [0,2,0,0,0,0|1,0,0]=3 1029 B5R0.3 CNC(=S)NC 349139 [0,2,0,0,0,0|1,1,0]=4 1030 B5R0.3 CNC(=S)NN 018882 [0,2,0,0,0,0|1,1,0]=4 1031 B5R0.3 COC(=O)C#N 102552 [0,2,0,0,0,0|0,0,1]=3 1032 B5R0.3 COC(=O)CBr 006774 [0,2,0,0,0,0|0,0,0]=2 1033 B5R0.3 COC(=O)CCl 095344 [0,2,0,0,0,0|0,0,0]=2 1034 B5R0.3 COC(=O)CI 103193 [0,2,0,0,0,0|0,0,0]=2 1035 B5R0.3 COC(=O)CN M03021 [0,2,0,0,0,0|0,0,0]=2 1036 B5R0.3 COC(=O)CO 227696 [0,2,0,0,0,0|0,0,0]=2 1037 B5R0.3 COC(=O)CS 011917 [0,2,0,0,0,0|0,0,0]=2 1038 B5R0.3 COC(=O)NN 094656 [0,2,0,0,0,0|1,0,0]=3 1039 B5R0.3 COC(=O)OC 094559 [0,2,0,0,0,0|0,0,0]=2 1040 B5R0.3 COC(=O)SCl 002587 [0,2,0,0,0,0|0,1,0]=3 1041 B5R0.3 COC(C)OC 104486 [0,2,0,0,0,0|0,0,2]=4 1042 B5R0.3 COS(=O)OC 094292 [0,2,0,0,0,0|1,0,0]=3 1043 B5R0.3 CO[PH](=O)OC 098972 [0,2,0,0,0,0|1,0,0]=3 1044 B5R0.3 C\C=C(/C)C=O 245796 [0,2,0,0,0,0|1,0,0]=3 1045 B5R0.3 NC(CO)CO 043594 [0,2,0,0,0,0|1,0,1]=4 1046 B5R0.3 NCC(=O)CN 245676 [0,2,0,0,0,0|1,0,0]=3 1047 B5R0.3 NCC(O)CN 013503 [0,2,0,0,0,0|1,0,1]=4 1048 B5R0.3 NCC(O)CO 093744 [0,2,0,0,0,0|0,0,2]=4 1049 B5R0.3 NC[C@@H](O)CO 036807 [0,2,0,0,0,0|0,0,2]=4 1050 B5R0.3 NC[C@H](O)CCl 320853 [0,2,0,0,0,0|1,0,1]=4 1051 B5R0.3 NNC(=O)CO 069267 [0,2,0,0,0,0|1,0,0]=3 1052 B5R0.3 O=C(CCl)CCl 469912 [0,2,0,0,0,0|1,0,0]=3 1053 B5R0.3 O=C(CO)CO 093516 [0,2,0,0,0,0|0,0,0]=2 1054 B5R0.3 O=C(O[Ag])O[Ag] 051244 [0,2,0,0,0,0|1,0,0]=3 1055 B5R0.3 OC(CBr)CBr 242654 [0,2,0,0,0,0|1,0,1]=4 1056 B5R0.3 OC(CCl)CCl 214775 [0,2,0,0,0,0|1,0,1]=4 1057 B5R0.3 OCC(O)CCl 242924 [0,2,0,0,0,0|0,0,2]=4 1058 B5R0.3 OCC(O)CO 094580 [0,2,0,0,0,0|0,0,2]=4 1059 B5R0.3 OCC(O)CO 102072 [0,2,0,0,0,0|0,0,2]=4 1060 B5R0.3 OCC(O)CO 104202 [0,2,0,0,0,0|0,0,2]=4 1061 B5R0.3 OCC(O)CS 104512 [0,2,0,0,0,0|0,0,2]=4 1062 B5R0.3 OC[C@@H](O)CCl 079187 [0,2,0,0,0,0|0,0,2]=4 1063 B5R0.4 C#CC(C)(C)O 077701 [0,2,0,0,0,0|1,0,1]=4 1064 B5R0.4 C=CC(C)(C)O 051281 [0,2,0,0,0,0|1,0,1]=4 1065 B5R0.4 C=CP(=O)(O)O 105842 [0,2,0,0,0,0|1,0,1]=4 1066 B5R0.4 C=CS(C)(=O)=O 001782 [0,2,0,0,0,0|1,0,1]=4 1067 B5R0.4 CC(C)(C)C=O 095838 [0,2,0,0,0,0|1,0,1]=4 1068 B5R0.4 CC(C)(C)CO 094979 [0,2,0,0,0,0|1,0,1]=4 1069 B5R0.4 CC(C)(C)NO 069319 [0,2,0,0,0,0|1,0,1]=4 1070 B5R0.4 CC(C)(N)CO 094438 [0,2,0,0,0,0|1,0,1]=4 1071 B5R0.4 CC(C)(O)C#N 102614 [0,2,0,0,0,0|1,0,1]=4 1072 B5R0.4 CC(C)(O)CCl 120400 [0,2,0,0,0,0|1,0,1]=4 1073 B5R0.4 CC(C)(O)CN 041912 [0,2,0,0,0,0|1,0,1]=4 1074 B5R0.4 CC(C)(O)CO 080226 [0,2,0,0,0,0|0,0,2]=4 1075 B5R0.4 CC(F)(F)CO 034700 [0,2,0,0,0,0|1,0,1]=4 1076 B5R0.4 CCC(C)(C)O 094937 [0,2,0,0,0,0|1,0,1]=4 1077 B5R0.4 CCC(C)(C)O 094938 [0,2,0,0,0,0|1,0,1]=4 1078 B5R0.4 CCC(C)(C)O 098852 [0,2,0,0,0,0|1,0,1]=4 1079 B5R0.4 CCS(=O)(=O)Cl 044992 [0,2,0,0,0,0|1,0,1]=4 1080 B5R0.4 CCS(N)(=O)=O 022080 [0,2,0,0,0,0|1,0,1]=4 1081 B5R0.4 CNS(C)(=O)=O 078577 [0,2,0,0,0,0|1,0,1]=4 1082 B5R0.4 COC(C)(C)C 044713 [0,2,0,0,0,0|1,0,1]=4 1083 B5R0.4 COC(C)(C)C 044713 [0,2,0,0,0,0|1,0,1]=4 1084 B5R0.4 COC(C)(C)C 099538 [0,2,0,0,0,0|1,0,1]=4 1085 B5R0.4 COS(=O)(=O)[O-] 005437 [0,2,0,0,0,0|1,0,1]=4 1086 B5R0.4 COS(=O)(=O)[O-] 044670 [0,2,0,0,0,0|1,0,1]=4 1087 B5R0.4 CO[Si](C)(C)C S10974 [0,2,0,0,0,0|1,1,0]=4 1088 B5R0.4 CS(=O)(=O)NN 321633 [0,2,0,0,0,0|1,0,1]=4 1089 B5R0.4 NCP(=O)(O)O 386319 [0,2,0,0,0,0|1,0,0]=3 1090 B5R0.4 NOS(=O)(=O)O 078667 [0,2,0,0,0,0|2,0,0]=4 1091 B5R0.4 O=S(=O)([O-])CO 098680 [0,2,0,0,0,0|1,0,1]=4 1092 B5R0.4 O=S(=O)([O-])OO 094908 [0,2,0,0,0,0|2,0,0]=4 1093 B5R0.5 C=C(C)C(=C)C 104405 [0,2,0,0,0,0|2,0,0]=4 1094 B5R0.5 C=C(C)C(=O)Cl 152770 [0,2,0,0,0,0|1,0,0]=3 1095 B5R0.5 C=C(C)C(=O)O 098014 [0,2,0,0,0,0|0,0,0]=2 1096 B5R0.5 C=C(C)C(=O)[O-] 461655 [0,2,0,0,0,0|0,0,1]=3 1097 B5R0.5 C=C(C)C(C)=O 155400 [0,2,0,0,0,0|1,0,0]=3 1098 B5R0.5 C=C(C)C(N)=O 098987 [0,2,0,0,0,0|1,0,0]=3 1099 B5R0.5 CC(=O)C(=O)O 168700 [0,2,0,0,0,0|0,0,0]=2 1100 B5R0.5 CC(=O)C(=O)[O-] 169520 [0,2,0,0,0,0|0,0,1]=3 1101 B5R0.5 CC(=O)C(C)=O 099488 [0,2,0,0,0,0|0,0,1]=3 1102 B5R0.5 CC(=O)C(C)C 098965 [0,2,0,0,0,0|1,0,0]=3 1103 B5R0.5 CC(=O)C(C)Cl 520345 [0,2,0,0,0,0|1,0,0]=3 1104 B5R0.5 CC(=O)C(C)O 449308 [0,2,0,0,0,0|0,0,0]=2 1105 B5R0.5 CC(=O)C(F)F 025165 [0,2,0,0,0,0|1,0,0]=3 1106 B5R0.5 CC(=O)N(C)C 044923 [0,2,0,0,0,0|1,0,0]=3 1107 B5R0.5 CC(=O)N(C)C 103880 [0,2,0,0,0,0|1,0,0]=3 1108 B5R0.5 CC(=O)N(C)C 105121 [0,2,0,0,0,0|1,0,0]=3 1109 B5R0.5 CC(Br)C(=O)Br BR1124 [0,2,0,0,0,0|1,0,0]=3 1110 B5R0.5 CC(Br)C(=O)O BR1120 [0,2,0,0,0,0|0,0,0]=2 1111 B5R0.5 CC(Br)C(N)=O 222852 [0,2,0,0,0,0|1,0,0]=3 1112 B5R0.5 CC(C)=C(C)C 358426 [0,2,0,0,0,0|2,0,0]=4 1113 B5R0.5 CC(C)B(O)O 065614 [0,2,0,0,0,0|1,0,1]=4 1114 B5R0.5 CC(C)C(=N)N 017191 [0,2,0,0,0,0|2,0,0]=4 1115 B5R0.5 CC(C)C(=O)Cl 005019 [0,2,0,0,0,0|1,0,0]=3 1116 B5R0.5 CC(C)C(=O)O 099395 [0,2,0,0,0,0|0,0,0]=2 1117 B5R0.5 CC(C)C(N)=O 091536 [0,2,0,0,0,0|1,0,0]=3 1118 B5R0.5 CC(C)S(=O)[O-] 035599 [0,2,0,0,0,0|1,0,1]=4 1119 B5R0.5 CC(C)[N+](=O)[O-] 098355 [0,2,0,0,0,0|1,0,1]=4 1120 B5R0.5 CC(Cl)C(=O)Cl 099576 [0,2,0,0,0,0|1,0,0]=3 1121 B5R0.5 CC(Cl)C(=O)O 240303 [0,2,0,0,0,0|0,0,0]=2 1122 B5R0.5 CC(Cl)C(N)=O 369655 [0,2,0,0,0,0|1,0,0]=3 1123 B5R0.5 CC(F)C(=O)O 024847 [0,2,0,0,0,0|0,0,0]=2 1124 B5R0.5 CC(N)C(=O)O 094978 [0,2,0,0,0,0|0,0,0]=2 1125 B5R0.5 CC(O)C(=O)O 995229 [0,2,0,0,0,0|0,0,0]=2 1126 B5R0.5 CC(O)C(=O)[O-] 492494 [0,2,0,0,0,0|0,0,1]=3 1127 B5R0.5 CC(O)C(N)=O 341750 [0,2,0,0,0,0|0,0,1]=3 1128 B5R0.5 CC(S)C(=O)O 520330 [0,2,0,0,0,0|0,0,0]=2 1129 B5R0.5 CN(C)C(=N)N 094628 [0,2,0,0,0,0|2,0,0]=4 1130 B5R0.5 CN(C)C(=O)Cl 051099 [0,2,0,0,0,0|1,0,0]=3 1131 B5R0.5 CN(C)C(=S)Cl 101947 [0,2,0,0,0,0|1,1,0]=4 1132 B5R0.5 CN(C)C(=S)[S-] 180453 [0,2,0,0,0,0|0,2,0]=4 1133 B5R0.5 CN(C)C(N)=O 342088 [0,2,0,0,0,0|1,0,0]=3 1134 B5R0.5 CN(C)C(N)=S 369470 [0,2,0,0,0,0|1,1,0]=4 1135 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [0,2,0,0,0,0|0,0,0]=2 1136 B5R0.5 C[C@@H](N)C(=O)O M02932 [0,2,0,0,0,0|0,0,0]=2 1137 B5R0.5 C[C@@H](N)C(N)=O 076723 [0,2,0,0,0,0|1,0,0]=3 1138 B5R0.5 C[C@@H](O)C(=O)O 208594 [0,2,0,0,0,0|0,0,0]=2 1139 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [0,2,0,0,0,0|0,0,1]=3 1140 B5R0.5 C[C@@H](O)C(N)=O 094768 [0,2,0,0,0,0|0,0,1]=3 1141 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [0,2,0,0,0,0|0,0,2]=4 1142 B5R0.5 C[C@H](Br)C(=O)O 094052 [0,2,0,0,0,0|0,0,0]=2 1143 B5R0.5 C[C@H](Cl)C(=O)O 216004 [0,2,0,0,0,0|0,0,0]=2 1144 B5R0.5 C[C@H](N)C(=O)O 080323 [0,2,0,0,0,0|0,0,0]=2 1145 B5R0.5 C[C@H](N)C(N)=O 092189 [0,2,0,0,0,0|1,0,0]=3 1146 B5R0.5 C[C@H](O)C(=O)O 103316 [0,2,0,0,0,0|0,0,0]=2 1147 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [0,2,0,0,0,0|0,0,1]=3 1148 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [0,2,0,0,0,0|0,0,2]=4 1149 B5R0.5 C[C@H](O)[C@H](C)O 044770 [0,2,0,0,0,0|0,0,2]=4 1150 B5R0.5 N=C(N)S(=O)O 358143 [0,2,0,0,0,0|1,0,1]=4 1151 B5R0.5 NC(=O)C(=O)O 240454 [0,2,0,0,0,0|0,0,1]=3 1152 B5R0.5 NC(=O)C(F)Cl 038384 [0,2,0,0,0,0|1,0,0]=3 1153 B5R0.5 NC(=O)C(F)F 033531 [0,2,0,0,0,0|1,0,0]=3 1154 B5R0.5 NC(=O)C(N)=O 494123 [0,2,0,0,0,0|1,0,1]=4 1155 B5R0.5 O=C(Br)C(=O)Br 099479 [0,2,0,0,0,0|1,0,1]=4 1156 B5R0.5 O=C(Cl)C(=O)Cl 003771 [0,2,0,0,0,0|1,0,1]=4 1157 B5R0.5 O=C(Cl)C(Cl)Cl 099125 [0,2,0,0,0,0|1,0,0]=3 1158 B5R0.5 O=C(O)C(=O)O 094439 [0,2,0,0,0,0|0,0,1]=3 1159 B5R0.5 O=C(O)C(=O)O 099499 [0,2,0,0,0,0|0,0,1]=3 1160 B5R0.5 O=C(O)C(=O)O 099742 [0,2,0,0,0,0|0,0,1]=3 1161 B5R0.5 O=C(O)C(=O)O 099890 [0,2,0,0,0,0|0,0,1]=3 1162 B5R0.5 O=C(O)C(=O)O 242472 [0,2,0,0,0,0|0,0,1]=3 1163 B5R0.5 O=C(O)C(=O)O 360255 [0,2,0,0,0,0|0,0,1]=3 1164 B5R0.5 O=C(O)C(=O)O 492395 [0,2,0,0,0,0|0,0,1]=3 1165 B5R0.5 O=C(O)C(Br)Br 103029 [0,2,0,0,0,0|0,0,0]=2 1166 B5R0.5 O=C(O)C(Cl)Cl 095059 [0,2,0,0,0,0|0,0,0]=2 1167 B5R0.5 O=C(O)C(F)F 001231 [0,2,0,0,0,0|0,0,0]=2 1168 B5R0.5 O=C(O)C(F)F 019092 [0,2,0,0,0,0|0,0,0]=2 1169 B5R0.5 O=C(O)C(O)O 143700 [0,2,0,0,0,0|0,0,0]=2 1170 B5R0.5 O=C([O-])C(=O)[O-] 104091 [0,2,0,0,0,0|0,0,2]=4 1171 B5R0.5 O=C([O-])C(=O)[O-] 492462 [0,2,0,0,0,0|0,0,2]=4 1172 B5R0.5 O=C([O-])C(Cl)Cl 462644 [0,2,0,0,0,0|0,0,1]=3 1173 B5R0.5 O=C([O-])C(F)F 010327 [0,2,0,0,0,0|0,0,1]=3 1174 B3R1.1 C1CS1 046805 [1,0,0,1,0,0|0,1,1]=4 1175 B3R1.1 C1NO1 433335 [1,0,0,1,0,0|1,0,0]=3 1176 B5R1.2 BrC1COC1 107040 [0,1,0,1,0,0|1,0,1]=4 1177 B5R1.2 BrC1COC1 223475 [0,1,0,1,0,0|1,0,1]=4 1178 B5R1.2 IC1COC1 242158 [0,1,0,1,0,0|1,0,1]=4 1179 B5R1.2 NC1COC1 320095 [0,1,0,1,0,0|1,0,1]=4 1180 B5R1.2 O=C1CCC1 033237 [0,1,0,1,0,0|1,0,0]=3 1181 B5R1.2 O=C1CCO1 167800 [0,1,0,1,0,0|0,0,0]=2 1182 B5R1.2 O=C1COC1 044814 [0,1,0,1,0,0|0,0,0]=2 1183 B5R1.2 OC1CCC1 003407 [0,1,0,1,0,0|1,0,1]=4 1184 B5R1.2 OC1CNC1 013898 [0,1,0,1,0,0|1,0,1]=4 1185 B5R1.2 OC1COC1 069085 [0,1,0,1,0,0|0,0,2]=4 1186 B5R1.3 BrCC1CO1 BR1167 [0,1,0,1,0,0|1,0,1]=4 1187 B5R1.3 CCC1CO1 046729 [0,1,0,1,0,0|1,0,1]=4 1188 B5R1.3 ClCC1CO1 095340 [0,1,0,1,0,0|1,0,1]=4 1189 B5R1.3 ClC[C@@H]1CO1 023907 [0,1,0,1,0,0|1,0,1]=4 1190 B5R1.3 ClC[C@H]1CO1 023906 [0,1,0,1,0,0|1,0,1]=4 1191 B5R1.3 O=CC1CC1 065337 [0,1,0,1,0,0|1,0,1]=4 1192 B5R1.3 OCC1CC1 003372 [0,1,0,1,0,0|1,0,1]=4 1193 B5R1.3 OCC1CO1 349304 [0,1,0,1,0,0|0,0,2]=4 1194 B5R1.3 OC[C@@H]1CO1 208588 [0,1,0,1,0,0|0,0,2]=4 1195 B5R1.3 OC[C@H]1CO1 091841 [0,1,0,1,0,0|0,0,2]=4 1196 B5R1.5 CC1(C)CO1 150500 [0,1,0,1,0,0|1,0,1]=4