0 B2R0.1 C(=O)O C00058 [0,0,0,0,0,0|1,0,0]=1 1 B2R0.1 C(N)=O C00488 [0,0,0,0,0,0|2,0,0]=2 2 B2R0.1 C=CBr C19184 [0,0,0,0,0,0|3,0,0]=3 3 B2R0.1 C=CC C11505 [0,0,0,0,0,0|3,0,0]=3 4 B2R0.1 C=CCl C06793 [0,0,0,0,0,0|3,0,0]=3 5 B2R0.1 C=CCl C19508 [0,0,0,0,0,0|3,0,0]=3 6 B2R0.1 C=CF C19185 [0,0,0,0,0,0|3,0,0]=3 7 B2R0.1 C=[N+]=[N-] C19387 [0,0,0,0,0,0|2,0,1]=3 8 B2R0.1 CC=O C00084 [0,0,0,0,0,0|2,0,0]=2 9 B2R0.1 CCBr C19354 [0,0,0,0,0,0|3,0,0]=3 10 B2R0.1 CCC C20783 [0,0,0,0,0,0|3,0,0]=3 11 B2R0.1 CCCl C18248 [0,0,0,0,0,0|3,0,0]=3 12 B2R0.1 CCN C00797 [0,0,0,0,0,0|3,0,0]=3 13 B2R0.1 CCO C00469 [0,0,0,0,0,0|2,0,0]=2 14 B2R0.1 CNC C00543 [0,0,0,0,0,0|2,0,1]=3 15 B2R0.1 COC C11144 [0,0,0,0,0,0|3,0,0]=3 16 B2R0.1 CSC C00580 [0,0,0,0,0,0|3,0,0]=3 17 B2R0.1 C[Hg]Cl C11146 [0,0,0,0,0,0|3,0,0]=3 18 B2R0.1 C[N+]#N C20302 [0,0,0,0,0,0|2,0,1]=3 19 B2R0.1 C[Se]C C02535 [0,0,0,0,0,0|3,0,0]=3 20 B2R0.1 C[Te]C C02677 [0,0,0,0,0,0|3,0,0]=3 21 B2R0.1 ClCBr C02661 [0,0,0,0,0,0|3,0,0]=3 22 B2R0.1 ClCCl C02271 [0,0,0,0,0,0|3,0,0]=3 23 B2R0.1 Cl[Pt]Cl C06911 [0,0,0,0,0,0|3,0,0]=3 24 B2R0.1 FCCl C19362 [0,0,0,0,0,0|3,0,0]=3 25 B2R0.1 I[IH2-]I C08040 [0,0,0,0,0,0|3,0,0]=3 26 B2R0.1 N#CN C01566 [0,0,0,0,0,0|3,0,0]=3 27 B2R0.1 N#CO C01417 [0,0,0,0,0,0|2,0,0]=2 28 B2R0.1 N#CS C01755 [0,0,0,0,0,0|2,1,0]=3 29 B2R0.1 N#C[N-2] C19113 [0,0,0,0,0,0|3,0,0]=3 30 B2R0.1 N#C[O-] C19067 [0,0,0,0,0,0|2,0,1]=3 31 B2R0.1 NCN C02311 [0,0,0,0,0,0|3,0,0]=3 32 B2R0.1 NCN C03687 [0,0,0,0,0,0|3,0,0]=3 33 B2R0.1 O=C=O C00011 [0,0,0,0,0,0|1,0,1]=2 34 B2R0.1 O=C=S C07331 [0,0,0,0,0,0|1,1,0]=2 35 B2R0.1 O=C[O-] C18586 [0,0,0,0,0,0|1,0,1]=2 36 B2R0.1 O=Cl=O C18368 [0,0,0,0,0,0|1,0,1]=2 37 B2R0.1 O=ClO C01486 [0,0,0,0,0,0|1,0,0]=1 38 B2R0.1 O=Cl[O-] C19523 [0,0,0,0,0,0|1,0,1]=2 39 B2R0.1 O=NO C00088 [0,0,0,0,0,0|0,0,0]=0 40 B2R0.1 O=S=O C09306 [0,0,0,0,0,0|1,0,1]=2 41 B2R0.1 O=[Mn]=O C21744 [0,0,0,0,0,0|1,0,1]=2 42 B2R0.1 P(=O)O C05339 [0,0,0,0,0,0|0,1,0]=1 43 B2R0.1 S=C=S C19033 [0,0,0,0,0,0|1,2,0]=3 44 B2R0.1 SSS C19692 [0,0,0,0,0,0|1,2,0]=3 45 B2R0.1 [*]C#N C00726 [0,0,0,0,0,0|3,0,0]=3 46 B2R0.1 [*]C#N C01887 [0,0,0,0,0,0|3,0,0]=3 47 B2R0.1 [*]C#N C16072 [0,0,0,0,0,0|3,0,0]=3 48 B2R0.1 [*]C=O C00071 [0,0,0,0,0,0|2,0,0]=2 49 B2R0.1 [*]CC C21763 [0,0,0,0,0,0|3,0,0]=3 50 B2R0.1 [*]CN C00375 [0,0,0,0,0,0|3,0,0]=3 51 B2R0.1 [*]CO C00226 [0,0,0,0,0,0|2,0,0]=2 52 B2R0.1 [*]CO C00339 [0,0,0,0,0,0|2,0,0]=2 53 B2R0.1 [*]C[*] C01872 [0,0,0,0,0,0|3,0,0]=3 54 B2R0.1 [*]NC C02436 [0,0,0,0,0,0|2,0,1]=3 55 B2R0.1 [*]NO C02252 [0,0,0,0,0,0|1,0,1]=2 56 B2R0.1 [*]N[*] C02324 [0,0,0,0,0,0|2,0,1]=3 57 B2R0.1 [*]OO C01025 [0,0,0,0,0,0|2,0,0]=2 58 B2R0.1 [*]OO C15498 [0,0,0,0,0,0|2,0,0]=2 59 B2R0.1 [*]SC C20791 [0,0,0,0,0,0|3,0,0]=3 60 B2R0.1 [*]SO C02245 [0,0,0,0,0,0|2,0,0]=2 61 B2R0.1 [*]S[*] C00297 [0,0,0,0,0,0|3,0,0]=3 62 B2R0.1 [N-]=[N+]=O C00887 [0,0,0,0,0,0|1,0,1]=2 63 B2R0.1 [N-]=[N+]=[N-] C19935 [0,0,0,0,0,0|2,0,1]=3 64 B1R0.1 C#C C01548 [1,0,0,0,0,0|2,0,0]=3 65 B1R0.1 C#N C01326 [1,0,0,0,0,0|1,0,1]=3 66 B1R0.1 C=C C06547 [1,0,0,0,0,0|2,0,0]=3 67 B1R0.1 C=C C19503 [1,0,0,0,0,0|2,0,0]=3 68 B1R0.1 C=O C00067 [1,0,0,0,0,0|1,0,0]=2 69 B1R0.1 CBr C18447 [1,0,0,0,0,0|2,0,0]=3 70 B1R0.1 CCl C19446 [1,0,0,0,0,0|2,0,0]=3 71 B1R0.1 CF C11147 [1,0,0,0,0,0|2,0,0]=3 72 B1R0.1 CI C18448 [1,0,0,0,0,0|2,0,0]=3 73 B1R0.1 CN C00218 [1,0,0,0,0,0|1,0,1]=3 74 B1R0.1 CO C00132 [1,0,0,0,0,0|1,0,0]=2 75 B1R0.1 CS C00409 [1,0,0,0,0,0|1,1,0]=3 76 B1R0.1 C[Hg+] C18672 [1,0,0,0,0,0|2,0,0]=3 77 B1R0.1 II C01382 [1,0,0,0,0,0|2,0,0]=3 78 B1R0.1 N#N C00697 [1,0,0,0,0,0|1,0,1]=3 79 B1R0.1 N=N C05360 [1,0,0,0,0,0|1,0,0]=2 80 B1R0.1 N=O C20937 [1,0,0,0,0,0|0,0,0]=1 81 B1R0.1 NCl C19359 [1,0,0,0,0,0|1,0,1]=3 82 B1R0.1 NN C05361 [1,0,0,0,0,0|1,0,1]=3 83 B1R0.1 NO C00192 [1,0,0,0,0,0|0,0,1]=2 84 B1R0.1 NO C11598 [1,0,0,0,0,0|0,0,1]=2 85 B1R0.1 O=O C00007 [1,0,0,0,0,0|0,0,1]=2 86 B1R0.1 OCl C19697 [1,0,0,0,0,0|1,0,0]=2 87 B1R0.1 OO C00027 [1,0,0,0,0,0|0,0,1]=2 88 B1R0.1 O[O] C21641 [1,0,0,0,0,0|0,0,1]=2 89 B1R0.1 [*]Br C00720 [1,0,0,0,0,0|2,0,0]=3 90 B1R0.1 [*]Cl C01334 [1,0,0,0,0,0|2,0,0]=3 91 B1R0.1 [*]I C01321 [1,0,0,0,0,0|2,0,0]=3 92 B1R0.1 [*]N C00706 [1,0,0,0,0,0|1,0,1]=3 93 B1R0.1 [*]N C00893 [1,0,0,0,0,0|1,0,1]=3 94 B1R0.1 [*]N C01664 [1,0,0,0,0,0|1,0,1]=3 95 B1R0.1 [*]N C01890 [1,0,0,0,0,0|1,0,1]=3 96 B1R0.1 [*]N C16240 [1,0,0,0,0,0|1,0,1]=3 97 B1R0.1 [*]N C16722 [1,0,0,0,0,0|1,0,1]=3 98 B1R0.1 [*]N C21300 [1,0,0,0,0,0|1,0,1]=3 99 B1R0.1 [*]O C00069 [1,0,0,0,0,0|1,0,0]=2 100 B1R0.1 [*]O C00863 [1,0,0,0,0,0|1,0,0]=2 101 B1R0.1 [*]O C01335 [1,0,0,0,0,0|1,0,0]=2 102 B1R0.1 [*]O C02525 [1,0,0,0,0,0|1,0,0]=2 103 B1R0.1 [*]O C03130 [1,0,0,0,0,0|1,0,0]=2 104 B1R0.1 [*]S C00145 [1,0,0,0,0,0|1,1,0]=3 105 B1R0.1 [*]S C00229 [1,0,0,0,0,0|1,1,0]=3 106 B1R0.1 [*]S C00812 [1,0,0,0,0,0|1,1,0]=3 107 B1R0.1 [*]S C01336 [1,0,0,0,0,0|1,1,0]=3 108 B1R0.1 [*]S C04298 [1,0,0,0,0,0|1,1,0]=3 109 B1R0.1 [*]S C11482 [1,0,0,0,0,0|1,1,0]=3 110 B1R0.1 [*]S C16736 [1,0,0,0,0,0|1,1,0]=3 111 B1R0.1 [*]S C21097 [1,0,0,0,0,0|1,1,0]=3 112 B1R0.1 [*][*] C01322 [1,0,0,0,0,0|2,0,0]=3 113 B1R0.1 [*][Hg+] C01343 [1,0,0,0,0,0|2,0,0]=3 114 B1R0.1 [C-]#N C00177 [1,0,0,0,0,0|1,0,1]=3 115 B1R0.1 [C-]#N C18673 [1,0,0,0,0,0|1,0,1]=3 116 B1R0.1 [C-]#[O+] C00237 [1,0,0,0,0,0|1,0,1]=3 117 B1R0.1 [H][H] C00282 [1,0,0,0,0,0|2,0,0]=3 118 B1R0.1 [N]=O C00533 [1,0,0,0,0,0|0,0,1]=2 119 B1R0.1 [O-][O-] C17732 [1,0,0,0,0,0|0,0,2]=3 120 B1R0.1 [O-][O-] C18566 [1,0,0,0,0,0|0,0,2]=3 121 B1R0.1 [O][O-] C00704 [1,0,0,0,0,0|0,0,2]=3 122 B1R0.1 [SeH]C C05703 [1,0,0,0,0,0|1,1,0]=3 123 B3R0.1 BrCCBr C11088 [0,1,0,0,0,0|3,0,0]=4 124 B3R0.1 C#CC=O C05985 [0,1,0,0,0,0|2,0,0]=3 125 B3R0.1 C#CCO C05986 [0,1,0,0,0,0|2,0,0]=3 126 B3R0.1 C(=O)NC C11489 [0,1,0,0,0,0|1,0,1]=3 127 B3R0.1 C=CC#N C01998 [0,1,0,0,0,0|3,0,0]=4 128 B3R0.1 C=CC=C C16450 [0,1,0,0,0,0|3,0,0]=4 129 B3R0.1 C=CC=O C01471 [0,1,0,0,0,0|2,0,0]=3 130 B3R0.1 C=CCCl C19316 [0,1,0,0,0,0|3,0,0]=4 131 B3R0.1 C=CCO C02001 [0,1,0,0,0,0|2,0,0]=3 132 B3R0.1 CCC=O C00479 [0,1,0,0,0,0|2,0,0]=3 133 B3R0.1 CCCC C21390 [0,1,0,0,0,0|3,0,0]=4 134 B3R0.1 CCCO C05979 [0,1,0,0,0,0|2,0,0]=3 135 B3R0.1 CCCS C08390 [0,1,0,0,0,0|2,1,0]=4 136 B3R0.1 CN=C=S C18587 [0,1,0,0,0,0|1,1,0]=3 137 B3R0.1 CNN=O C19568 [0,1,0,0,0,0|1,0,0]=2 138 B3R0.1 CNNC C19176 [0,1,0,0,0,0|2,0,1]=4 139 B3R0.1 COCCl C19160 [0,1,0,0,0,0|2,0,0]=3 140 B3R0.1 CSSC C08371 [0,1,0,0,0,0|2,1,0]=4 141 B3R0.1 C\N=N\O C20306 [0,1,0,0,0,0|1,0,0]=2 142 B3R0.1 ClC#CCl C11089 [0,1,0,0,0,0|3,0,0]=4 143 B3R0.1 ClCCCl C06752 [0,1,0,0,0,0|3,0,0]=4 144 B3R0.1 Cl\C=C/Cl C06792 [0,1,0,0,0,0|3,0,0]=4 145 B3R0.1 Cl\C=C\Cl C06791 [0,1,0,0,0,0|3,0,0]=4 146 B3R0.1 N#CCCl C19360 [0,1,0,0,0,0|3,0,0]=4 147 B3R0.1 NCC=O C06735 [0,1,0,0,0,0|2,0,0]=3 148 B3R0.1 NCCN C18382 [0,1,0,0,0,0|3,0,0]=4 149 B3R0.1 NCCO C00189 [0,1,0,0,0,0|2,0,0]=3 150 B3R0.1 NCCS C01678 [0,1,0,0,0,0|2,1,0]=4 151 B3R0.1 O=CC=O C14448 [0,1,0,0,0,0|1,0,1]=3 152 B3R0.1 O=CCBr C14870 [0,1,0,0,0,0|2,0,0]=3 153 B3R0.1 O=CCCl C06754 [0,1,0,0,0,0|2,0,0]=3 154 B3R0.1 O=CCF C15488 [0,1,0,0,0,0|2,0,0]=3 155 B3R0.1 O=CCO C00266 [0,1,0,0,0,0|1,0,0]=2 156 B3R0.1 O=NO[O-] C16845 [0,1,0,0,0,0|0,0,0]=1 157 B3R0.1 O=[As]O[Na] C11906 [0,1,0,0,0,0|0,1,0]=2 158 B3R0.1 OCCCl C06753 [0,1,0,0,0,0|2,0,0]=3 159 B3R0.1 OCCO C01380 [0,1,0,0,0,0|1,0,1]=3 160 B3R0.1 OCCO C15588 [0,1,0,0,0,0|1,0,1]=3 161 B3R0.1 OCCS C00928 [0,1,0,0,0,0|1,1,0]=3 162 B3R0.1 O\N=N\O C01818 [0,1,0,0,0,0|0,0,1]=2 163 B3R0.1 [*]CCN C15534 [0,1,0,0,0,0|3,0,0]=4 164 B3R0.1 [*]CN[*] C21299 [0,1,0,0,0,0|2,0,1]=4 165 B3R0.1 [*]CO[*] C12942 [0,1,0,0,0,0|2,0,0]=3 166 B3R0.1 [*]NC=O C06049 [0,1,0,0,0,0|1,0,1]=3 167 B3R0.1 [*]OP=O C03497 [0,1,0,0,0,0|0,1,0]=2 168 B3R0.1 [*]SS[*] C15496 [0,1,0,0,0,0|2,1,0]=4 169 B3R0.1 [*]\C=C\[*] C01372 [0,1,0,0,0,0|3,0,0]=4 170 B3R0.1 [*]\C=C\[*] C01706 [0,1,0,0,0,0|3,0,0]=4 171 B3R0.1 [*]\C=N\O C02658 [0,1,0,0,0,0|1,0,0]=2 172 B3R0.2 BrC(Br)Br C14707 [0,1,0,0,0,0|3,0,0]=4 173 B3R0.2 C=C(Cl)Cl C14039 [0,1,0,0,0,0|3,0,0]=4 174 B3R0.2 C=C(Cl)Cl C18992 [0,1,0,0,0,0|3,0,0]=4 175 B3R0.2 C=C(F)F C19547 [0,1,0,0,0,0|3,0,0]=4 176 B3R0.2 CC(=O)O C00033 [0,1,0,0,0,0|1,0,0]=2 177 B3R0.2 CC(=O)S C01857 [0,1,0,0,0,0|1,1,0]=3 178 B3R0.2 CC(=O)[O-] C12554 [0,1,0,0,0,0|1,0,1]=3 179 B3R0.2 CC(C)=O C00207 [0,1,0,0,0,0|2,0,0]=3 180 B3R0.2 CC(C)N C06748 [0,1,0,0,0,0|3,0,0]=4 181 B3R0.2 CC(C)O C01845 [0,1,0,0,0,0|2,0,0]=3 182 B3R0.2 CC(C)S C08391 [0,1,0,0,0,0|2,1,0]=4 183 B3R0.2 CC(Cl)Cl C18247 [0,1,0,0,0,0|3,0,0]=4 184 B3R0.2 CC(N)=O C06244 [0,1,0,0,0,0|2,0,0]=3 185 B3R0.2 CC(N)=S C19302 [0,1,0,0,0,0|2,1,0]=4 186 B3R0.2 CN(C)C C00565 [0,1,0,0,0,0|2,0,1]=4 187 B3R0.2 CN(C)N C19233 [0,1,0,0,0,0|2,0,1]=4 188 B3R0.2 CS(=O)O C21398 [0,1,0,0,0,0|1,0,0]=2 189 B3R0.2 CS(C)=O C11143 [0,1,0,0,0,0|2,0,0]=3 190 B3R0.2 C[As](C)O C20300 [0,1,0,0,0,0|1,1,0]=3 191 B3R0.2 C[As](O)O C07295 [0,1,0,0,0,0|0,1,1]=3 192 B3R0.2 C[N+](=O)[O-] C19275 [0,1,0,0,0,0|0,0,2]=3 193 B3R0.2 C[S+](C)C C01008 [0,1,0,0,0,0|3,0,0]=4 194 B3R0.2 C[Se+](C)C C18872 [0,1,0,0,0,0|3,0,0]=4 195 B3R0.2 C[Se](=O)O C18902 [0,1,0,0,0,0|1,0,0]=2 196 B3R0.2 ClC(Br)Br C14692 [0,1,0,0,0,0|3,0,0]=4 197 B3R0.2 ClC(Cl)Br C14708 [0,1,0,0,0,0|3,0,0]=4 198 B3R0.2 ClC(Cl)Cl C13827 [0,1,0,0,0,0|3,0,0]=4 199 B3R0.2 Cl[Sb](Cl)Cl C15235 [0,1,0,0,0,0|2,1,0]=4 200 B3R0.2 FC(F)Cl C19361 [0,1,0,0,0,0|3,0,0]=4 201 B3R0.2 IC(I)I C13383 [0,1,0,0,0,0|3,0,0]=4 202 B3R0.2 N=C(N)N C17349 [0,1,0,0,0,0|3,0,0]=4 203 B3R0.2 NC(=O)O C01563 [0,1,0,0,0,0|1,0,0]=2 204 B3R0.2 NC(N)=O C00086 [0,1,0,0,0,0|2,0,0]=3 205 B3R0.2 NC(N)=S C14415 [0,1,0,0,0,0|2,1,0]=4 206 B3R0.2 O=Br(=O)[O-] C19295 [0,1,0,0,0,0|1,0,1]=3 207 B3R0.2 O=C(O)O C01353 [0,1,0,0,0,0|1,0,0]=2 208 B3R0.2 O=C([O-])O C00288 [0,1,0,0,0,0|1,0,0]=2 209 B3R0.2 O=C([O-])O C12603 [0,1,0,0,0,0|1,0,0]=2 210 B3R0.2 O=C([O-])O C18606 [0,1,0,0,0,0|1,0,0]=2 211 B3R0.2 O=C([O-])[O-] C07964 [0,1,0,0,0,0|1,0,1]=3 212 B3R0.2 O=C([O-])[O-] C08129 [0,1,0,0,0,0|1,0,1]=3 213 B3R0.2 O=C([O-])[O-] C12893 [0,1,0,0,0,0|1,0,1]=3 214 B3R0.2 O=Cl(=O)O C01485 [0,1,0,0,0,0|1,0,0]=2 215 B3R0.2 O=Cl(=O)[O-] C18765 [0,1,0,0,0,0|1,0,1]=3 216 B3R0.2 O=I(=O)[O-] C18366 [0,1,0,0,0,0|1,0,1]=3 217 B3R0.2 O=N(=O)O C00244 [0,1,0,0,0,0|0,0,1]=2 218 B3R0.2 O=S(O)O C00094 [0,1,0,0,0,0|1,0,0]=2 219 B3R0.2 O=S([O-])O C11481 [0,1,0,0,0,0|1,0,0]=2 220 B3R0.2 O=[N+]([O-])[O-] C13557 [0,1,0,0,0,0|0,0,2]=3 221 B3R0.2 O=[N+]([O-])[O-] C15234 [0,1,0,0,0,0|0,0,2]=3 222 B3R0.2 O=[Se]([O-])[O-] C05684 [0,1,0,0,0,0|1,0,1]=3 223 B3R0.2 OB(O)O C12486 [0,1,0,0,0,0|1,0,1]=3 224 B3R0.2 P(=O)(O)O C06701 [0,1,0,0,0,0|0,1,0]=2 225 B3R0.2 [*]C(=O)O C00162 [0,1,0,0,0,0|1,0,0]=2 226 B3R0.2 [*]C(=O)[O-] C00060 [0,1,0,0,0,0|1,0,1]=3 227 B3R0.2 [*]C(=O)[O-] C02403 [0,1,0,0,0,0|1,0,1]=3 228 B3R0.2 [*]C(N)=O C00241 [0,1,0,0,0,0|2,0,0]=3 229 B3R0.2 [*]C(N)=O C01663 [0,1,0,0,0,0|2,0,0]=3 230 B3R0.2 [*]C(N)=O C03620 [0,1,0,0,0,0|2,0,0]=3 231 B3R0.2 [*]C([*])=O C01450 [0,1,0,0,0,0|2,0,0]=3 232 B3R0.2 [*]C([*])=O C02146 [0,1,0,0,0,0|2,0,0]=3 233 B3R0.2 [*]C([*])O C01612 [0,1,0,0,0,0|2,0,0]=3 234 B3R0.2 [*]C([*])O C01813 [0,1,0,0,0,0|2,0,0]=3 235 B3R0.2 [*]C([*])S C01525 [0,1,0,0,0,0|2,1,0]=4 236 B3R0.2 [*]N(=O)=O C06058 [0,1,0,0,0,0|0,0,2]=3 237 B3R0.2 [*]N([*])[*] C02196 [0,1,0,0,0,0|2,0,1]=4 238 B3R0.2 [*]S(=O)O C01615 [0,1,0,0,0,0|1,0,0]=2 239 B3R0.2 [O-][As]([O-])[O-] C06697 [0,1,0,0,0,0|0,1,2]=4 240 B3R1.1 C1CN1 C11687 [0,0,0,1,0,0|2,0,1]=4 241 B3R1.1 C1CO1 C06548 [0,0,0,1,0,0|2,0,0]=3 242 B3R1.1 C1CS1 C19419 [0,0,0,1,0,0|2,1,0]=4 243 B0R0.1 Br C13645 [2,0,0,0,0,0|0,0,0]=2 244 B0R0.1 C C01438 [2,0,0,0,0,0|0,0,0]=2 245 B0R0.1 Cl C01327 [2,0,0,0,0,0|0,0,0]=2 246 B0R0.1 F C16487 [2,0,0,0,0,0|0,0,0]=2 247 B0R0.1 I C05590 [2,0,0,0,0,0|0,0,0]=2 248 B0R0.1 N C00014 [2,0,0,0,0,0|0,0,0]=2 249 B0R0.1 O C00001 [2,0,0,0,0,0|0,0,0]=2 250 B0R0.1 S C00087 [2,0,0,0,0,0|0,0,0]=2 251 B0R0.1 S C00283 [2,0,0,0,0,0|0,0,0]=2 252 B0R0.1 [*H] C00462 [2,0,0,0,0,0|0,0,0]=2 253 B0R0.1 [*H] C01371 [2,0,0,0,0,0|0,0,0]=2 254 B0R0.1 [222Rn] C16454 [2,0,0,0,0,0|0,0,0]=2 255 B0R0.1 [224Ra] C16455 [2,0,0,0,0,0|0,0,0]=2 256 B0R0.1 [226Ra] C16456 [2,0,0,0,0,0|0,0,0]=2 257 B0R0.1 [228Ra] C16457 [2,0,0,0,0,0|0,0,0]=2 258 B0R0.1 [232Th] C19157 [2,0,0,0,0,0|0,0,0]=2 259 B0R0.1 [32PH3] C19162 [2,0,0,0,0,0|0,0,0]=2 260 B0R0.1 [Ag] C06710 [2,0,0,0,0,0|0,0,0]=2 261 B0R0.1 [AlH3+3] C13391 [2,0,0,0,0,0|0,0,0]=2 262 B0R0.1 [AsH6+3] C13619 [2,0,0,0,0,0|0,0,0]=2 263 B0R0.1 [AsH6+3] C20298 [2,0,0,0,0,0|0,0,0]=2 264 B0R0.1 [AsH8+5] C20296 [2,0,0,0,0,0|0,0,0]=2 265 B0R0.1 [As] C06269 [2,0,0,0,0,0|0,0,0]=2 266 B0R0.1 [Ba+2] C13881 [2,0,0,0,0,0|0,0,0]=2 267 B0R0.1 [Be] C16460 [2,0,0,0,0,0|0,0,0]=2 268 B0R0.1 [Bi] C15471 [2,0,0,0,0,0|0,0,0]=2 269 B0R0.1 [Br-] C01324 [2,0,0,0,0,0|0,0,0]=2 270 B0R0.1 [Br-] C13189 [2,0,0,0,0,0|0,0,0]=2 271 B0R0.1 [Br-] C13198 [2,0,0,0,0,0|0,0,0]=2 272 B0R0.1 [Ca+2] C00076 [2,0,0,0,0,0|0,0,0]=2 273 B0R0.1 [Ca+2] C08130 [2,0,0,0,0,0|0,0,0]=2 274 B0R0.1 [Ca+2] C12277 [2,0,0,0,0,0|0,0,0]=2 275 B0R0.1 [Ca+2] C13140 [2,0,0,0,0,0|0,0,0]=2 276 B0R0.1 [Ca+2] C17392 [2,0,0,0,0,0|0,0,0]=2 277 B0R0.1 [Ca+2] C18381 [2,0,0,0,0,0|0,0,0]=2 278 B0R0.1 [Cd+2] C15233 [2,0,0,0,0,0|0,0,0]=2 279 B0R0.1 [Cd] C01413 [2,0,0,0,0,0|0,0,0]=2 280 B0R0.1 [Cl-] C00698 [2,0,0,0,0,0|0,0,0]=2 281 B0R0.1 [Cl-] C07755 [2,0,0,0,0,0|0,0,0]=2 282 B0R0.1 [Cl-] C12538 [2,0,0,0,0,0|0,0,0]=2 283 B0R0.1 [Cl-] C13377 [2,0,0,0,0,0|0,0,0]=2 284 B0R0.1 [Cl-] C13563 [2,0,0,0,0,0|0,0,0]=2 285 B0R0.1 [Cl-] C14711 [2,0,0,0,0,0|0,0,0]=2 286 B0R0.1 [Cl-] C15226 [2,0,0,0,0,0|0,0,0]=2 287 B0R0.1 [Co+2] C00175 [2,0,0,0,0,0|0,0,0]=2 288 B0R0.1 [Co] C19171 [2,0,0,0,0,0|0,0,0]=2 289 B0R0.1 [Cr+3] C19368 [2,0,0,0,0,0|0,0,0]=2 290 B0R0.1 [Cr+4] C20295 [2,0,0,0,0,0|0,0,0]=2 291 B0R0.1 [Cr+5] C20294 [2,0,0,0,0,0|0,0,0]=2 292 B0R0.1 [Cr+6] C19161 [2,0,0,0,0,0|0,0,0]=2 293 B0R0.1 [Cr] C06268 [2,0,0,0,0,0|0,0,0]=2 294 B0R0.1 [Cu+] C18714 [2,0,0,0,0,0|0,0,0]=2 295 B0R0.1 [Cu] C00070 [2,0,0,0,0,0|0,0,0]=2 296 B0R0.1 [F-] C00742 [2,0,0,0,0,0|0,0,0]=2 297 B0R0.1 [F-] C08142 [2,0,0,0,0,0|0,0,0]=2 298 B0R0.1 [Fe+2] C14818 [2,0,0,0,0,0|0,0,0]=2 299 B0R0.1 [Fe+3] C14819 [2,0,0,0,0,0|0,0,0]=2 300 B0R0.1 [Fe] C00023 [2,0,0,0,0,0|0,0,0]=2 301 B0R0.1 [Ge] C15472 [2,0,0,0,0,0|0,0,0]=2 302 B0R0.1 [H+] C00080 [2,0,0,0,0,0|0,0,0]=2 303 B0R0.1 [Hg+2] C00703 [2,0,0,0,0,0|0,0,0]=2 304 B0R0.1 [Hg+2] C18670 [2,0,0,0,0,0|0,0,0]=2 305 B0R0.1 [Hg] C01319 [2,0,0,0,0,0|0,0,0]=2 306 B0R0.1 [I-] C00708 [2,0,0,0,0,0|0,0,0]=2 307 B0R0.1 [I-] C08219 [2,0,0,0,0,0|0,0,0]=2 308 B0R0.1 [I-] C14042 [2,0,0,0,0,0|0,0,0]=2 309 B0R0.1 [K+] C00238 [2,0,0,0,0,0|0,0,0]=2 310 B0R0.1 [K+] C12568 [2,0,0,0,0,0|0,0,0]=2 311 B0R0.1 [Li] C15473 [2,0,0,0,0,0|0,0,0]=2 312 B0R0.1 [Mg+2] C00305 [2,0,0,0,0,0|0,0,0]=2 313 B0R0.1 [Mg+2] C07876 [2,0,0,0,0,0|0,0,0]=2 314 B0R0.1 [Mg+2] C12567 [2,0,0,0,0,0|0,0,0]=2 315 B0R0.1 [Mn+2] C19610 [2,0,0,0,0,0|0,0,0]=2 316 B0R0.1 [Mn+3] C19611 [2,0,0,0,0,0|0,0,0]=2 317 B0R0.1 [Mn] C00034 [2,0,0,0,0,0|0,0,0]=2 318 B0R0.1 [Mo] C00150 [2,0,0,0,0,0|0,0,0]=2 319 B0R0.1 [NH4+] C01342 [2,0,0,0,0,0|0,0,0]=2 320 B0R0.1 [NH4+] C01358 [2,0,0,0,0,0|0,0,0]=2 321 B0R0.1 [Na+] C01330 [2,0,0,0,0,0|0,0,0]=2 322 B0R0.1 [Na+] C12569 [2,0,0,0,0,0|0,0,0]=2 323 B0R0.1 [Ni+2] C19609 [2,0,0,0,0,0|0,0,0]=2 324 B0R0.1 [Ni] C00291 [2,0,0,0,0,0|0,0,0]=2 325 B0R0.1 [O-2] C12570 [2,0,0,0,0,0|0,0,0]=2 326 B0R0.1 [O-2] C17379 [2,0,0,0,0,0|0,0,0]=2 327 B0R0.1 [OH-] C01328 [2,0,0,0,0,0|0,0,0]=2 328 B0R0.1 [OH-] C13515 [2,0,0,0,0,0|0,0,0]=2 329 B0R0.1 [OH-] C18712 [2,0,0,0,0,0|0,0,0]=2 330 B0R0.1 [OH] C16844 [2,0,0,0,0,0|0,0,0]=2 331 B0R0.1 [Pb] C06696 [2,0,0,0,0,0|0,0,0]=2 332 B0R0.1 [Pu] C19159 [2,0,0,0,0,0|0,0,0]=2 333 B0R0.1 [Rb+] C17061 [2,0,0,0,0,0|0,0,0]=2 334 B0R0.1 [SeH2] C01528 [2,0,0,0,0,0|0,0,0]=2 335 B0R0.1 [Se] C01529 [2,0,0,0,0,0|0,0,0]=2 336 B0R0.1 [Sr+2] C13884 [2,0,0,0,0,0|0,0,0]=2 337 B0R0.1 [W] C00753 [2,0,0,0,0,0|0,0,0]=2 338 B0R0.1 [Xe] C13373 [2,0,0,0,0,0|0,0,0]=2 339 B0R0.1 [Zn+2] C00038 [2,0,0,0,0,0|0,0,0]=2 340 B4R0.1 C#CC(=O)O C00804 [0,2,0,0,0,0|1,0,0]=3 341 B4R0.1 C(=O)C(C)O C05999 [0,2,0,0,0,0|1,0,0]=3 342 B4R0.1 C(=O)N(C)C C03134 [0,2,0,0,0,0|1,0,1]=4 343 B4R0.1 C=CC(=O)O C00511 [0,2,0,0,0,0|1,0,0]=3 344 B4R0.1 C=CC(=O)O C19501 [0,2,0,0,0,0|1,0,0]=3 345 B4R0.1 C=CC(C)=O C20701 [0,2,0,0,0,0|2,0,0]=4 346 B4R0.1 C=CC(N)=O C01659 [0,2,0,0,0,0|2,0,0]=4 347 B4R0.1 CC(=O)C=O C00546 [0,2,0,0,0,0|1,0,1]=4 348 B4R0.1 CC(=O)CN C01888 [0,2,0,0,0,0|2,0,0]=4 349 B4R0.1 CC(=O)CO C05235 [0,2,0,0,0,0|1,0,0]=3 350 B4R0.1 CC(=O)NN C07447 [0,2,0,0,0,0|1,0,1]=4 351 B4R0.1 CC(=O)NO C06808 [0,2,0,0,0,0|0,0,1]=3 352 B4R0.1 CC(C)=NO C01995 [0,2,0,0,0,0|1,0,0]=3 353 B4R0.1 CC(C)CO C14710 [0,2,0,0,0,0|2,0,0]=4 354 B4R0.1 CC(O)CN C05771 [0,2,0,0,0,0|2,0,0]=4 355 B4R0.1 CC(O)CO C00583 [0,2,0,0,0,0|1,0,1]=4 356 B4R0.1 CCC(=O)O C00163 [0,2,0,0,0,0|1,0,0]=3 357 B4R0.1 CCC(C)=O C02845 [0,2,0,0,0,0|2,0,0]=4 358 B4R0.1 CC[N+](=O)[O-] C01837 [0,2,0,0,0,0|0,0,2]=4 359 B4R0.1 CN(C)N=O C14704 [0,2,0,0,0,0|1,0,0]=3 360 B4R0.1 CNC(N)=O C16363 [0,2,0,0,0,0|1,0,1]=4 361 B4R0.1 COC(C)=O C17530 [0,2,0,0,0,0|1,0,0]=3 362 B4R0.1 COC(N)=O C19445 [0,2,0,0,0,0|1,0,0]=3 363 B4R0.1 C[C@@H](O)C=O C00937 [0,2,0,0,0,0|1,0,0]=3 364 B4R0.1 C[C@@H](O)CN C03194 [0,2,0,0,0,0|2,0,0]=4 365 B4R0.1 C[C@@H](O)CO C02912 [0,2,0,0,0,0|1,0,1]=4 366 B4R0.1 C[C@H](O)C=O C00424 [0,2,0,0,0,0|1,0,0]=3 367 B4R0.1 C[C@H](O)CO C02917 [0,2,0,0,0,0|1,0,1]=4 368 B4R0.1 N=CC(=O)O C15809 [0,2,0,0,0,0|1,0,0]=3 369 B4R0.1 NC(=O)CF C18675 [0,2,0,0,0,0|2,0,0]=4 370 B4R0.1 NC(=O)NO C07044 [0,2,0,0,0,0|0,0,1]=3 371 B4R0.1 NCC(=O)O C00037 [0,2,0,0,0,0|1,0,0]=3 372 B4R0.1 NNC(N)=O C02077 [0,2,0,0,0,0|1,0,1]=4 373 B4R0.1 NNC(N)=O C19521 [0,2,0,0,0,0|1,0,1]=4 374 B4R0.1 O=C(Cl)CCl C14859 [0,2,0,0,0,0|2,0,0]=4 375 B4R0.1 O=C(O)CCl C06755 [0,2,0,0,0,0|1,0,0]=3 376 B4R0.1 O=C(O)CF C06108 [0,2,0,0,0,0|1,0,0]=3 377 B4R0.1 O=C(O)CO C00160 [0,2,0,0,0,0|1,0,0]=3 378 B4R0.1 O=C(O)CO C03547 [0,2,0,0,0,0|1,0,0]=3 379 B4R0.1 O=C(O)CS C02086 [0,2,0,0,0,0|1,0,0]=3 380 B4R0.1 O=C([O-])CF C18588 [0,2,0,0,0,0|1,0,1]=4 381 B4R0.1 O=CC(=O)O C00048 [0,2,0,0,0,0|1,0,0]=3 382 B4R0.1 O=CC(Cl)Cl C14858 [0,2,0,0,0,0|2,0,0]=4 383 B4R0.1 OC(Cl)CCl C20305 [0,2,0,0,0,0|2,0,0]=4 384 B4R0.1 [*]C(=O)C=O C00538 [0,2,0,0,0,0|1,0,1]=4 385 B4R0.1 [*]C(=O)C=O C01928 [0,2,0,0,0,0|1,0,1]=4 386 B4R0.1 [*]C(=O)CO C03667 [0,2,0,0,0,0|1,0,0]=3 387 B4R0.1 [*]C(=O)NO C06443 [0,2,0,0,0,0|0,0,1]=3 388 B4R0.1 [*]C(=O)OC C03395 [0,2,0,0,0,0|1,0,0]=3 389 B4R0.1 [*]C(O)C=O C01370 [0,2,0,0,0,0|1,0,0]=3 390 B4R0.1 [*]C(O)C=O C06461 [0,2,0,0,0,0|1,0,0]=3 391 B4R0.1 [*]C(O)CO C00717 [0,2,0,0,0,0|1,0,1]=4 392 B4R0.1 [*]CC(=O)O C01812 [0,2,0,0,0,0|1,0,0]=3 393 B4R0.1 [*]CC([*])O C00980 [0,2,0,0,0,0|2,0,0]=4 394 B4R0.1 [*]NC(C)=O C02998 [0,2,0,0,0,0|1,0,1]=4 395 B4R0.1 [*]NC([*])=O C01658 [0,2,0,0,0,0|1,0,1]=4 396 B4R0.1 [*]OC(C)=O C01883 [0,2,0,0,0,0|1,0,0]=3 397 B4R0.1 [*]OC(C)=O C03707 [0,2,0,0,0,0|1,0,0]=3 398 B4R0.1 [*]OC([*])=O C02391 [0,2,0,0,0,0|1,0,0]=3 399 B4R0.1 [*]OC([*])O C01707 [0,2,0,0,0,0|1,0,1]=4 400 B4R0.1 [*]OP(=O)O C03498 [0,2,0,0,0,0|0,1,0]=3 401 B4R0.1 [*]SC(C)=O C03939 [0,2,0,0,0,0|1,1,0]=4 402 B4R0.1 [*]SC(C)=O C04334 [0,2,0,0,0,0|1,1,0]=4 403 B4R0.1 [*][C@@H](O)CO C01506 [0,2,0,0,0,0|1,0,1]=4 404 B4R0.1 [*]\C(S)=N\O C17261 [0,2,0,0,0,0|0,1,0]=3 405 B4R0.2 C#CCC=O C06145 [0,2,0,0,0,0|2,0,0]=4 406 B4R0.2 C#CCCO C06146 [0,2,0,0,0,0|2,0,0]=4 407 B4R0.2 C=COC=C C17721 [0,2,0,0,0,0|2,0,0]=4 408 B4R0.2 CCC=S=O C08389 [0,2,0,0,0,0|2,0,0]=4 409 B4R0.2 CCCC=O C01412 [0,2,0,0,0,0|2,0,0]=4 410 B4R0.2 CCCCO C06142 [0,2,0,0,0,0|2,0,0]=4 411 B4R0.2 CCOCC C13240 [0,2,0,0,0,0|2,0,0]=4 412 B4R0.2 C\C=C\C=O C19377 [0,2,0,0,0,0|2,0,0]=4 413 B4R0.2 ClCOCCl C19158 [0,2,0,0,0,0|2,0,0]=4 414 B4R0.2 NCCC=O C05665 [0,2,0,0,0,0|2,0,0]=4 415 B4R0.2 O=CCC=O C19440 [0,2,0,0,0,0|1,0,1]=4 416 B4R0.2 O=CCCO C00969 [0,2,0,0,0,0|1,0,0]=3 417 B4R0.2 O=C\C=C/Cl C16348 [0,2,0,0,0,0|2,0,0]=4 418 B4R0.2 O=C\C=C\Cl C06613 [0,2,0,0,0,0|2,0,0]=4 419 B4R0.2 OCCCO C02457 [0,2,0,0,0,0|1,0,1]=4 420 B4R0.2 OC\C=C/Cl C06612 [0,2,0,0,0,0|2,0,0]=4 421 B4R0.2 OC\C=C\Cl C06611 [0,2,0,0,0,0|2,0,0]=4 422 B4R0.2 [*]CCC=O C00609 [0,2,0,0,0,0|2,0,0]=4 423 B4R0.2 [Ru][O-2][Ru+10][O-2][Ru] C13932 [0,2,0,0,0,0|1,0,1]=4 424 B4R0.3 CC(C)(C)O C21389 [0,2,0,0,0,0|2,0,0]=4 425 B4R0.3 CP(=O)(O)O C20396 [0,2,0,0,0,0|0,1,0]=3 426 B4R0.3 CS(=O)(=O)O C11145 [0,2,0,0,0,0|1,0,0]=3 427 B4R0.3 CS(C)(=O)=O C11142 [0,2,0,0,0,0|1,0,1]=4 428 B4R0.3 C[As](=O)(O)O C07294 [0,2,0,0,0,0|0,1,0]=3 429 B4R0.3 C[As](C)(=O)O C07308 [0,2,0,0,0,0|0,1,0]=3 430 B4R0.3 NP(=O)(O)O C02306 [0,2,0,0,0,0|0,1,0]=3 431 B4R0.3 NS(=O)(=O)[O-] C18773 [0,2,0,0,0,0|1,0,1]=4 432 B4R0.3 O=P(O)(O)O C00009 [0,2,0,0,0,0|0,1,0]=3 433 B4R0.3 O=P([O-])(O)O C13556 [0,2,0,0,0,0|0,1,0]=3 434 B4R0.3 O=P([O-])([O-])O C13197 [0,2,0,0,0,0|0,1,0]=3 435 B4R0.3 O=P([O-])([O-])O C13558 [0,2,0,0,0,0|0,1,0]=3 436 B4R0.3 O=P([O-])([O-])[O-] C08136 [0,2,0,0,0,0|0,1,1]=4 437 B4R0.3 O=S(=O)(O)O C00059 [0,2,0,0,0,0|1,0,0]=3 438 B4R0.3 O=S(=O)(O)S C05529 [0,2,0,0,0,0|1,0,0]=3 439 B4R0.3 O=S(=O)(O)[S-] C00320 [0,2,0,0,0,0|1,0,0]=3 440 B4R0.3 O=S(=O)([O-])[O-] C12505 [0,2,0,0,0,0|1,0,1]=4 441 B4R0.3 O=S(=O)([O-])[O-] C13192 [0,2,0,0,0,0|1,0,1]=4 442 B4R0.3 O=S(=O)([O-])[O-] C13194 [0,2,0,0,0,0|1,0,1]=4 443 B4R0.3 O=S(=O)([O-])[O-] C13199 [0,2,0,0,0,0|1,0,1]=4 444 B4R0.3 O=S(=O)([O-])[O-] C17258 [0,2,0,0,0,0|1,0,1]=4 445 B4R0.3 O=S(=O)([O-])[O-] C17383 [0,2,0,0,0,0|1,0,1]=4 446 B4R0.3 O=S(=O)([O-])[O-] C18567 [0,2,0,0,0,0|1,0,1]=4 447 B4R0.3 O=S(=O)([O-])[O-] C18713 [0,2,0,0,0,0|1,0,1]=4 448 B4R0.3 O=S(=O)([O-])[O-] C19215 [0,2,0,0,0,0|1,0,1]=4 449 B4R0.3 O=[As](O)(O)O C01478 [0,2,0,0,0,0|0,1,0]=3 450 B4R0.3 O=[As]([O-])([O-])O C18648 [0,2,0,0,0,0|0,1,0]=3 451 B4R0.3 O=[As]([O-])([O-])[O-] C11215 [0,2,0,0,0,0|0,1,1]=4 452 B4R0.3 O=[As]([O-])([O-])[O-] C18647 [0,2,0,0,0,0|0,1,1]=4 453 B4R0.3 O=[Mo](=O)(O)O C06232 [0,2,0,0,0,0|1,0,0]=3 454 B4R0.3 O=[Mo](=O)([O-])[O-] C15455 [0,2,0,0,0,0|1,0,1]=4 455 B4R0.3 O=[Se](=O)(O)O C05697 [0,2,0,0,0,0|1,0,0]=3 456 B4R0.3 O=[V-3](=O)(=O)=O C11627 [0,2,0,0,0,0|1,0,1]=4 457 B4R0.3 O=[W](=O)(O)O C20679 [0,2,0,0,0,0|1,0,0]=3 458 B4R0.3 [SeH]P(=O)(O)O C05172 [0,2,0,0,0,0|0,1,0]=3 459 B4R1.2 CC1CO1 C15508 [0,1,0,1,0,0|2,0,0]=4 460 B4R1.2 C[C@@H]1CO1 C11506 [0,1,0,1,0,0|2,0,0]=4 461 B4R1.2 C[C@H]1CO1 C11507 [0,1,0,1,0,0|2,0,0]=4 462 B4R1.2 ClC1CO1 C20303 [0,1,0,1,0,0|2,0,0]=4