0 B3R0.2 BrC(Br)Br C14707 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 C=C(Cl)Cl C14039 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 C=C(Cl)Cl C18992 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 C=C(F)F C19547 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 CC(=O)O C00033 [0,0,0,0,0,0|1,0,0]=1 5 B3R0.2 CC(=O)S C01857 [0,0,0,0,0,0|1,1,0]=2 6 B3R0.2 CC(=O)[O-] C12554 [0,0,0,0,0,0|1,0,1]=2 7 B3R0.2 CC(C)=O C00207 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(C)N C06748 [0,0,0,0,0,0|3,0,1]=4 9 B3R0.2 CC(C)O C01845 [0,0,0,0,0,0|2,0,1]=3 10 B3R0.2 CC(C)S C08391 [0,0,0,0,0,0|2,1,1]=4 11 B3R0.2 CC(Cl)Cl C18247 [0,0,0,0,0,0|3,0,1]=4 12 B3R0.2 CC(N)=O C06244 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.2 CC(N)=S C19302 [0,0,0,0,0,0|2,1,0]=3 14 B3R0.2 CN(C)C C00565 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 CN(C)N C19233 [0,0,0,0,0,0|4,0,0]=4 16 B3R0.2 CS(=O)O C21398 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.2 CS(C)=O C11143 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.2 C[As](C)O C20300 [0,0,0,0,0,0|3,0,0]=3 19 B3R0.2 C[As](O)O C07295 [0,0,0,0,0,0|2,0,0]=2 20 B3R0.2 C[N+](=O)[O-] C19275 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.2 C[S+](C)C C01008 [0,0,0,0,0,0|4,0,0]=4 22 B3R0.2 C[Se+](C)C C18872 [0,0,0,0,0,0|4,0,0]=4 23 B3R0.2 C[Se](=O)O C18902 [0,0,0,0,0,0|2,0,0]=2 24 B3R0.2 ClC(Br)Br C14692 [0,0,0,0,0,0|3,0,1]=4 25 B3R0.2 ClC(Cl)Br C14708 [0,0,0,0,0,0|3,0,1]=4 26 B3R0.2 ClC(Cl)Cl C13827 [0,0,0,0,0,0|3,0,1]=4 27 B3R0.2 Cl[Sb](Cl)Cl C15235 [0,0,0,0,0,0|4,0,0]=4 28 B3R0.2 FC(F)Cl C19361 [0,0,0,0,0,0|3,0,1]=4 29 B3R0.2 IC(I)I C13383 [0,0,0,0,0,0|3,0,1]=4 30 B3R0.2 N=C(N)N C17349 [0,0,0,0,0,0|3,0,0]=3 31 B3R0.2 NC(=O)O C01563 [0,0,0,0,0,0|1,0,0]=1 32 B3R0.2 NC(N)=O C00086 [0,0,0,0,0,0|2,0,0]=2 33 B3R0.2 NC(N)=S C14415 [0,0,0,0,0,0|2,1,0]=3 34 B3R0.2 O=Br(=O)[O-] C19295 [0,0,0,0,0,0|1,0,2]=3 35 B3R0.2 O=C(O)O C01353 [0,0,0,0,0,0|0,0,0]=0 36 B3R0.2 O=C([O-])O C00288 [0,0,0,0,0,0|0,0,1]=1 37 B3R0.2 O=C([O-])O C12603 [0,0,0,0,0,0|0,0,1]=1 38 B3R0.2 O=C([O-])O C18606 [0,0,0,0,0,0|0,0,1]=1 39 B3R0.2 O=C([O-])[O-] C07964 [0,0,0,0,0,0|0,0,2]=2 40 B3R0.2 O=C([O-])[O-] C08129 [0,0,0,0,0,0|0,0,2]=2 41 B3R0.2 O=C([O-])[O-] C12893 [0,0,0,0,0,0|0,0,2]=2 42 B3R0.2 O=Cl(=O)O C01485 [0,0,0,0,0,0|1,0,1]=2 43 B3R0.2 O=Cl(=O)[O-] C18765 [0,0,0,0,0,0|1,0,2]=3 44 B3R0.2 O=I(=O)[O-] C18366 [0,0,0,0,0,0|1,0,2]=3 45 B3R0.2 O=N(=O)O C00244 [0,0,0,0,0,0|1,0,1]=2 46 B3R0.2 O=S(O)O C00094 [0,0,0,0,0,0|1,0,0]=1 47 B3R0.2 O=S([O-])O C11481 [0,0,0,0,0,0|1,0,1]=2 48 B3R0.2 O=[N+]([O-])[O-] C13557 [0,0,0,0,0,0|1,0,2]=3 49 B3R0.2 O=[N+]([O-])[O-] C15234 [0,0,0,0,0,0|1,0,2]=3 50 B3R0.2 O=[Se]([O-])[O-] C05684 [0,0,0,0,0,0|1,0,2]=3 51 B3R0.2 OB(O)O C12486 [0,0,0,0,0,0|1,0,1]=2 52 B3R0.2 P(=O)(O)O C06701 [0,0,0,0,0,0|1,0,0]=1 53 B3R0.2 [*]C(=O)O C00162 [0,0,0,0,0,0|1,0,0]=1 54 B3R0.2 [*]C(=O)[O-] C00060 [0,0,0,0,0,0|1,0,1]=2 55 B3R0.2 [*]C(=O)[O-] C02403 [0,0,0,0,0,0|1,0,1]=2 56 B3R0.2 [*]C(N)=O C00241 [0,0,0,0,0,0|2,0,0]=2 57 B3R0.2 [*]C(N)=O C01663 [0,0,0,0,0,0|2,0,0]=2 58 B3R0.2 [*]C(N)=O C03620 [0,0,0,0,0,0|2,0,0]=2 59 B3R0.2 [*]C([*])=O C01450 [0,0,0,0,0,0|2,0,0]=2 60 B3R0.2 [*]C([*])=O C02146 [0,0,0,0,0,0|2,0,0]=2 61 B3R0.2 [*]C([*])O C01612 [0,0,0,0,0,0|2,0,1]=3 62 B3R0.2 [*]C([*])O C01813 [0,0,0,0,0,0|2,0,1]=3 63 B3R0.2 [*]C([*])S C01525 [0,0,0,0,0,0|2,1,1]=4 64 B3R0.2 [*]N(=O)=O C06058 [0,0,0,0,0,0|2,0,1]=3 65 B3R0.2 [*]N([*])[*] C02196 [0,0,0,0,0,0|4,0,0]=4 66 B3R0.2 [*]S(=O)O C01615 [0,0,0,0,0,0|2,0,0]=2 67 B3R0.2 [O-][As]([O-])[O-] C06697 [0,0,0,0,0,0|1,0,3]=4 68 B2R0.1 C(=O)O C00058 [1,0,0,0,0,0|0,0,0]=1 69 B2R0.1 C(N)=O C00488 [1,0,0,0,0,0|1,0,0]=2 70 B2R0.1 C=CBr C19184 [1,0,0,0,0,0|2,0,0]=3 71 B2R0.1 C=CC C11505 [1,0,0,0,0,0|2,0,0]=3 72 B2R0.1 C=CCl C06793 [1,0,0,0,0,0|2,0,0]=3 73 B2R0.1 C=CCl C19508 [1,0,0,0,0,0|2,0,0]=3 74 B2R0.1 C=CF C19185 [1,0,0,0,0,0|2,0,0]=3 75 B2R0.1 C=[N+]=[N-] C19387 [1,0,0,0,0,0|3,0,0]=4 76 B2R0.1 CC=O C00084 [1,0,0,0,0,0|1,0,0]=2 77 B2R0.1 CCBr C19354 [1,0,0,0,0,0|2,0,1]=4 78 B2R0.1 CCC C20783 [1,0,0,0,0,0|2,0,1]=4 79 B2R0.1 CCCl C18248 [1,0,0,0,0,0|2,0,1]=4 80 B2R0.1 CCN C00797 [1,0,0,0,0,0|2,0,1]=4 81 B2R0.1 CCO C00469 [1,0,0,0,0,0|1,0,1]=3 82 B2R0.1 CNC C00543 [1,0,0,0,0,0|3,0,0]=4 83 B2R0.1 COC C11144 [1,0,0,0,0,0|3,0,0]=4 84 B2R0.1 CSC C00580 [1,0,0,0,0,0|3,0,0]=4 85 B2R0.1 C[Hg]Cl C11146 [1,0,0,0,0,0|3,0,0]=4 86 B2R0.1 C[N+]#N C20302 [1,0,0,0,0,0|3,0,0]=4 87 B2R0.1 C[Se]C C02535 [1,0,0,0,0,0|3,0,0]=4 88 B2R0.1 C[Te]C C02677 [1,0,0,0,0,0|3,0,0]=4 89 B2R0.1 ClCBr C02661 [1,0,0,0,0,0|2,0,1]=4 90 B2R0.1 ClCCl C02271 [1,0,0,0,0,0|2,0,1]=4 91 B2R0.1 Cl[Pt]Cl C06911 [1,0,0,0,0,0|3,0,0]=4 92 B2R0.1 FCCl C19362 [1,0,0,0,0,0|2,0,1]=4 93 B2R0.1 I[IH2-]I C08040 [1,0,0,0,0,0|3,0,0]=4 94 B2R0.1 N#CN C01566 [1,0,0,0,0,0|2,0,1]=4 95 B2R0.1 N#CO C01417 [1,0,0,0,0,0|1,0,1]=3 96 B2R0.1 N#CS C01755 [1,0,0,0,0,0|1,1,1]=4 97 B2R0.1 N#C[N-2] C19113 [1,0,0,0,0,0|2,0,1]=4 98 B2R0.1 N#C[O-] C19067 [1,0,0,0,0,0|1,0,2]=4 99 B2R0.1 NCN C02311 [1,0,0,0,0,0|2,0,1]=4 100 B2R0.1 NCN C03687 [1,0,0,0,0,0|2,0,1]=4 101 B2R0.1 O=C=O C00011 [1,0,0,0,0,0|0,0,2]=3 102 B2R0.1 O=C=S C07331 [1,0,0,0,0,0|0,1,1]=3 103 B2R0.1 O=C[O-] C18586 [1,0,0,0,0,0|0,0,1]=2 104 B2R0.1 O=Cl=O C18368 [1,0,0,0,0,0|1,0,1]=3 105 B2R0.1 O=ClO C01486 [1,0,0,0,0,0|1,0,0]=2 106 B2R0.1 O=Cl[O-] C19523 [1,0,0,0,0,0|1,0,1]=3 107 B2R0.1 O=NO C00088 [1,0,0,0,0,0|1,0,0]=2 108 B2R0.1 O=S=O C09306 [1,0,0,0,0,0|1,0,1]=3 109 B2R0.1 O=[Mn]=O C21744 [1,0,0,0,0,0|1,0,1]=3 110 B2R0.1 P(=O)O C05339 [1,0,0,0,0,0|1,0,0]=2 111 B2R0.1 S=C=S C19033 [1,0,0,0,0,0|0,2,1]=4 112 B2R0.1 SSS C19692 [1,0,0,0,0,0|1,2,0]=4 113 B2R0.1 [*]C#N C00726 [1,0,0,0,0,0|2,0,1]=4 114 B2R0.1 [*]C#N C01887 [1,0,0,0,0,0|2,0,1]=4 115 B2R0.1 [*]C#N C16072 [1,0,0,0,0,0|2,0,1]=4 116 B2R0.1 [*]C=O C00071 [1,0,0,0,0,0|1,0,0]=2 117 B2R0.1 [*]CC C21763 [1,0,0,0,0,0|2,0,1]=4 118 B2R0.1 [*]CN C00375 [1,0,0,0,0,0|2,0,1]=4 119 B2R0.1 [*]CO C00226 [1,0,0,0,0,0|1,0,1]=3 120 B2R0.1 [*]CO C00339 [1,0,0,0,0,0|1,0,1]=3 121 B2R0.1 [*]C[*] C01872 [1,0,0,0,0,0|2,0,1]=4 122 B2R0.1 [*]NC C02436 [1,0,0,0,0,0|3,0,0]=4 123 B2R0.1 [*]NO C02252 [1,0,0,0,0,0|2,0,0]=3 124 B2R0.1 [*]N[*] C02324 [1,0,0,0,0,0|3,0,0]=4 125 B2R0.1 [*]OO C01025 [1,0,0,0,0,0|2,0,0]=3 126 B2R0.1 [*]OO C15498 [1,0,0,0,0,0|2,0,0]=3 127 B2R0.1 [*]SC C20791 [1,0,0,0,0,0|3,0,0]=4 128 B2R0.1 [*]SO C02245 [1,0,0,0,0,0|2,0,0]=3 129 B2R0.1 [*]S[*] C00297 [1,0,0,0,0,0|3,0,0]=4 130 B2R0.1 [N-]=[N+]=O C00887 [1,0,0,0,0,0|2,0,0]=3 131 B2R0.1 [N-]=[N+]=[N-] C19935 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.1 C#CC(=O)O C00804 [0,1,0,0,0,0|1,0,0]=2 133 B4R0.1 C(=O)C(C)O C05999 [0,1,0,0,0,0|1,0,1]=3 134 B4R0.1 C(=O)N(C)C C03134 [0,1,0,0,0,0|3,0,0]=4 135 B4R0.1 C=C(C)CCl C19363 [0,1,0,0,0,0|3,0,0]=4 136 B4R0.1 C=CC(=C)C C16521 [0,1,0,0,0,0|3,0,0]=4 137 B4R0.1 C=CC(=C)Cl C19208 [0,1,0,0,0,0|3,0,0]=4 138 B4R0.1 C=CC(=C)Cl C19502 [0,1,0,0,0,0|3,0,0]=4 139 B4R0.1 C=CC(=O)O C00511 [0,1,0,0,0,0|1,0,0]=2 140 B4R0.1 C=CC(=O)O C19501 [0,1,0,0,0,0|1,0,0]=2 141 B4R0.1 C=CC(C)=O C20701 [0,1,0,0,0,0|2,0,0]=3 142 B4R0.1 C=CC(N)=O C01659 [0,1,0,0,0,0|2,0,0]=3 143 B4R0.1 CC(=O)C=O C00546 [0,1,0,0,0,0|1,0,1]=3 144 B4R0.1 CC(=O)CN C01888 [0,1,0,0,0,0|2,0,0]=3 145 B4R0.1 CC(=O)CO C05235 [0,1,0,0,0,0|1,0,0]=2 146 B4R0.1 CC(=O)NN C07447 [0,1,0,0,0,0|2,0,0]=3 147 B4R0.1 CC(=O)NO C06808 [0,1,0,0,0,0|1,0,0]=2 148 B4R0.1 CC(C)=CCl C19206 [0,1,0,0,0,0|3,0,0]=4 149 B4R0.1 CC(C)=NO C01995 [0,1,0,0,0,0|2,0,0]=3 150 B4R0.1 CC(C)CO C14710 [0,1,0,0,0,0|2,0,1]=4 151 B4R0.1 CC(O)CN C05771 [0,1,0,0,0,0|2,0,1]=4 152 B4R0.1 CC(O)CO C00583 [0,1,0,0,0,0|1,0,1]=3 153 B4R0.1 CCC(=O)O C00163 [0,1,0,0,0,0|1,0,0]=2 154 B4R0.1 CCC(C)=O C02845 [0,1,0,0,0,0|2,0,0]=3 155 B4R0.1 CC[N+](=O)[O-] C01837 [0,1,0,0,0,0|2,0,1]=4 156 B4R0.1 CN(C)N=O C14704 [0,1,0,0,0,0|3,0,0]=4 157 B4R0.1 CNC(=N)N C02294 [0,1,0,0,0,0|3,0,0]=4 158 B4R0.1 CNC(=S)[S-] C18424 [0,1,0,0,0,0|1,2,0]=4 159 B4R0.1 CNC(N)=O C16363 [0,1,0,0,0,0|2,0,0]=3 160 B4R0.1 COC(C)=O C17530 [0,1,0,0,0,0|1,0,0]=2 161 B4R0.1 COC(N)=O C19445 [0,1,0,0,0,0|1,0,0]=2 162 B4R0.1 C[C@@H](O)C=O C00937 [0,1,0,0,0,0|1,0,1]=3 163 B4R0.1 C[C@@H](O)CN C03194 [0,1,0,0,0,0|2,0,1]=4 164 B4R0.1 C[C@@H](O)CO C02912 [0,1,0,0,0,0|1,0,1]=3 165 B4R0.1 C[C@H](O)C=O C00424 [0,1,0,0,0,0|1,0,1]=3 166 B4R0.1 C[C@H](O)CO C02917 [0,1,0,0,0,0|1,0,1]=3 167 B4R0.1 ClC=C(Cl)Cl C06790 [0,1,0,0,0,0|3,0,0]=4 168 B4R0.1 N=CC(=O)O C15809 [0,1,0,0,0,0|1,0,0]=2 169 B4R0.1 NC(=O)CF C18675 [0,1,0,0,0,0|2,0,0]=3 170 B4R0.1 NC(=O)NO C07044 [0,1,0,0,0,0|1,0,0]=2 171 B4R0.1 NCC(=O)O C00037 [0,1,0,0,0,0|1,0,0]=2 172 B4R0.1 NNC(N)=O C02077 [0,1,0,0,0,0|2,0,0]=3 173 B4R0.1 NNC(N)=O C19521 [0,1,0,0,0,0|2,0,0]=3 174 B4R0.1 O=C(Cl)CCl C14859 [0,1,0,0,0,0|2,0,0]=3 175 B4R0.1 O=C(O)CCl C06755 [0,1,0,0,0,0|1,0,0]=2 176 B4R0.1 O=C(O)CF C06108 [0,1,0,0,0,0|1,0,0]=2 177 B4R0.1 O=C(O)CO C00160 [0,1,0,0,0,0|0,0,0]=1 178 B4R0.1 O=C(O)CO C03547 [0,1,0,0,0,0|0,0,0]=1 179 B4R0.1 O=C(O)CS C02086 [0,1,0,0,0,0|0,1,0]=2 180 B4R0.1 O=C([O-])CF C18588 [0,1,0,0,0,0|1,0,1]=3 181 B4R0.1 O=CC(=O)O C00048 [0,1,0,0,0,0|0,0,1]=2 182 B4R0.1 O=CC(Cl)Cl C14858 [0,1,0,0,0,0|2,0,1]=4 183 B4R0.1 OC(Cl)CCl C20305 [0,1,0,0,0,0|2,0,1]=4 184 B4R0.1 S\C(Cl)=C/Cl C20318 [0,1,0,0,0,0|2,1,0]=4 185 B4R0.1 [*]C(=O)C=O C00538 [0,1,0,0,0,0|1,0,1]=3 186 B4R0.1 [*]C(=O)C=O C01928 [0,1,0,0,0,0|1,0,1]=3 187 B4R0.1 [*]C(=O)CO C03667 [0,1,0,0,0,0|1,0,0]=2 188 B4R0.1 [*]C(=O)NO C06443 [0,1,0,0,0,0|1,0,0]=2 189 B4R0.1 [*]C(=O)OC C03395 [0,1,0,0,0,0|1,0,0]=2 190 B4R0.1 [*]C(O)C=O C01370 [0,1,0,0,0,0|1,0,1]=3 191 B4R0.1 [*]C(O)C=O C06461 [0,1,0,0,0,0|1,0,1]=3 192 B4R0.1 [*]C(O)CO C00717 [0,1,0,0,0,0|1,0,1]=3 193 B4R0.1 [*]CC(=O)O C01812 [0,1,0,0,0,0|1,0,0]=2 194 B4R0.1 [*]CC([*])O C00980 [0,1,0,0,0,0|2,0,1]=4 195 B4R0.1 [*]NC(C)=O C02998 [0,1,0,0,0,0|2,0,0]=3 196 B4R0.1 [*]NC([*])=O C01658 [0,1,0,0,0,0|2,0,0]=3 197 B4R0.1 [*]OC(C)=O C01883 [0,1,0,0,0,0|1,0,0]=2 198 B4R0.1 [*]OC(C)=O C03707 [0,1,0,0,0,0|1,0,0]=2 199 B4R0.1 [*]OC([*])=O C02391 [0,1,0,0,0,0|1,0,0]=2 200 B4R0.1 [*]OC([*])O C01707 [0,1,0,0,0,0|1,0,1]=3 201 B4R0.1 [*]OP(=O)O C03498 [0,1,0,0,0,0|1,0,0]=2 202 B4R0.1 [*]SC(C)=O C03939 [0,1,0,0,0,0|1,1,0]=3 203 B4R0.1 [*]SC(C)=O C04334 [0,1,0,0,0,0|1,1,0]=3 204 B4R0.1 [*][C@@H](O)CO C01506 [0,1,0,0,0,0|1,0,1]=3 205 B4R0.1 [*]\C(S)=N\O C17261 [0,1,0,0,0,0|1,1,0]=3 206 B4R0.3 CC(C)(C)O C21389 [0,1,0,0,0,0|2,0,1]=4 207 B4R0.3 CP(=O)(O)O C20396 [0,1,0,0,0,0|1,0,0]=2 208 B4R0.3 CS(=O)(=O)O C11145 [0,1,0,0,0,0|1,0,1]=3 209 B4R0.3 CS(C)(=O)=O C11142 [0,1,0,0,0,0|2,0,1]=4 210 B4R0.3 C[As](=O)(O)O C07294 [0,1,0,0,0,0|1,0,0]=2 211 B4R0.3 C[As](C)(=O)O C07308 [0,1,0,0,0,0|2,0,0]=3 212 B4R0.3 NP(=O)(O)O C02306 [0,1,0,0,0,0|1,0,0]=2 213 B4R0.3 NS(=O)(=O)[O-] C18773 [0,1,0,0,0,0|1,0,2]=4 214 B4R0.3 O=P(O)(O)O C00009 [0,1,0,0,0,0|1,0,0]=2 215 B4R0.3 O=P([O-])(O)O C13556 [0,1,0,0,0,0|1,0,0]=2 216 B4R0.3 O=P([O-])([O-])O C13197 [0,1,0,0,0,0|1,0,1]=3 217 B4R0.3 O=P([O-])([O-])O C13558 [0,1,0,0,0,0|1,0,1]=3 218 B4R0.3 O=P([O-])([O-])[O-] C08136 [0,1,0,0,0,0|1,0,2]=4 219 B4R0.3 O=S(=O)(O)O C00059 [0,1,0,0,0,0|1,0,0]=2 220 B4R0.3 O=S(=O)(O)S C05529 [0,1,0,0,0,0|1,0,1]=3 221 B4R0.3 O=S(=O)(O)[S-] C00320 [0,1,0,0,0,0|1,0,1]=3 222 B4R0.3 O=S(=O)([O-])[O-] C12505 [0,1,0,0,0,0|1,0,2]=4 223 B4R0.3 O=S(=O)([O-])[O-] C13192 [0,1,0,0,0,0|1,0,2]=4 224 B4R0.3 O=S(=O)([O-])[O-] C13194 [0,1,0,0,0,0|1,0,2]=4 225 B4R0.3 O=S(=O)([O-])[O-] C13199 [0,1,0,0,0,0|1,0,2]=4 226 B4R0.3 O=S(=O)([O-])[O-] C17258 [0,1,0,0,0,0|1,0,2]=4 227 B4R0.3 O=S(=O)([O-])[O-] C17383 [0,1,0,0,0,0|1,0,2]=4 228 B4R0.3 O=S(=O)([O-])[O-] C18567 [0,1,0,0,0,0|1,0,2]=4 229 B4R0.3 O=S(=O)([O-])[O-] C18713 [0,1,0,0,0,0|1,0,2]=4 230 B4R0.3 O=S(=O)([O-])[O-] C19215 [0,1,0,0,0,0|1,0,2]=4 231 B4R0.3 O=[As](O)(O)O C01478 [0,1,0,0,0,0|1,0,0]=2 232 B4R0.3 O=[As]([O-])([O-])O C18648 [0,1,0,0,0,0|1,0,1]=3 233 B4R0.3 O=[As]([O-])([O-])[O-] C11215 [0,1,0,0,0,0|1,0,2]=4 234 B4R0.3 O=[As]([O-])([O-])[O-] C18647 [0,1,0,0,0,0|1,0,2]=4 235 B4R0.3 O=[Mo](=O)(O)O C06232 [0,1,0,0,0,0|1,0,0]=2 236 B4R0.3 O=[Mo](=O)([O-])[O-] C15455 [0,1,0,0,0,0|1,0,2]=4 237 B4R0.3 O=[Se](=O)(O)O C05697 [0,1,0,0,0,0|1,0,0]=2 238 B4R0.3 O=[V-3](=O)(=O)=O C11627 [0,1,0,0,0,0|1,0,2]=4 239 B4R0.3 O=[W](=O)(O)O C20679 [0,1,0,0,0,0|1,0,0]=2 240 B4R0.3 [SeH]P(=O)(O)O C05172 [0,1,0,0,0,0|1,0,0]=2 241 B4R1.2 CC1CO1 C15508 [0,0,0,1,0,0|2,0,1]=4 242 B4R1.2 C[C@@H]1CO1 C11506 [0,0,0,1,0,0|2,0,1]=4 243 B4R1.2 C[C@H]1CO1 C11507 [0,0,0,1,0,0|2,0,1]=4 244 B4R1.2 ClC1CO1 C20303 [0,0,0,1,0,0|2,0,1]=4 245 B1R0.1 C#C C01548 [2,0,0,0,0,0|1,0,1]=4 246 B1R0.1 C#N C01326 [2,0,0,0,0,0|1,0,1]=4 247 B1R0.1 C=C C06547 [2,0,0,0,0,0|1,0,0]=3 248 B1R0.1 C=C C19503 [2,0,0,0,0,0|1,0,0]=3 249 B1R0.1 C=O C00067 [2,0,0,0,0,0|0,0,0]=2 250 B1R0.1 CBr C18447 [2,0,0,0,0,0|1,0,1]=4 251 B1R0.1 CCl C19446 [2,0,0,0,0,0|1,0,1]=4 252 B1R0.1 CF C11147 [2,0,0,0,0,0|1,0,1]=4 253 B1R0.1 CI C18448 [2,0,0,0,0,0|1,0,1]=4 254 B1R0.1 CN C00218 [2,0,0,0,0,0|1,0,1]=4 255 B1R0.1 CO C00132 [2,0,0,0,0,0|0,0,1]=3 256 B1R0.1 CS C00409 [2,0,0,0,0,0|0,1,1]=4 257 B1R0.1 C[Hg+] C18672 [2,0,0,0,0,0|1,0,1]=4 258 B1R0.1 II C01382 [2,0,0,0,0,0|2,0,0]=4 259 B1R0.1 N#N C00697 [2,0,0,0,0,0|2,0,0]=4 260 B1R0.1 N=N C05360 [2,0,0,0,0,0|2,0,0]=4 261 B1R0.1 N=O C20937 [2,0,0,0,0,0|1,0,0]=3 262 B1R0.1 NCl C19359 [2,0,0,0,0,0|2,0,0]=4 263 B1R0.1 NN C05361 [2,0,0,0,0,0|2,0,0]=4 264 B1R0.1 NO C00192 [2,0,0,0,0,0|1,0,0]=3 265 B1R0.1 NO C11598 [2,0,0,0,0,0|1,0,0]=3 266 B1R0.1 O=O C00007 [2,0,0,0,0,0|0,0,1]=3 267 B1R0.1 OCl C19697 [2,0,0,0,0,0|1,0,0]=3 268 B1R0.1 OO C00027 [2,0,0,0,0,0|0,0,0]=2 269 B1R0.1 O[O] C21641 [2,0,0,0,0,0|0,0,1]=3 270 B1R0.1 [*]Br C00720 [2,0,0,0,0,0|2,0,0]=4 271 B1R0.1 [*]Cl C01334 [2,0,0,0,0,0|2,0,0]=4 272 B1R0.1 [*]I C01321 [2,0,0,0,0,0|2,0,0]=4 273 B1R0.1 [*]N C00706 [2,0,0,0,0,0|2,0,0]=4 274 B1R0.1 [*]N C00893 [2,0,0,0,0,0|2,0,0]=4 275 B1R0.1 [*]N C01664 [2,0,0,0,0,0|2,0,0]=4 276 B1R0.1 [*]N C01890 [2,0,0,0,0,0|2,0,0]=4 277 B1R0.1 [*]N C16240 [2,0,0,0,0,0|2,0,0]=4 278 B1R0.1 [*]N C16722 [2,0,0,0,0,0|2,0,0]=4 279 B1R0.1 [*]N C21300 [2,0,0,0,0,0|2,0,0]=4 280 B1R0.1 [*]O C00069 [2,0,0,0,0,0|1,0,0]=3 281 B1R0.1 [*]O C00863 [2,0,0,0,0,0|1,0,0]=3 282 B1R0.1 [*]O C01335 [2,0,0,0,0,0|1,0,0]=3 283 B1R0.1 [*]O C02525 [2,0,0,0,0,0|1,0,0]=3 284 B1R0.1 [*]O C03130 [2,0,0,0,0,0|1,0,0]=3 285 B1R0.1 [*]S C00145 [2,0,0,0,0,0|1,1,0]=4 286 B1R0.1 [*]S C00229 [2,0,0,0,0,0|1,1,0]=4 287 B1R0.1 [*]S C00812 [2,0,0,0,0,0|1,1,0]=4 288 B1R0.1 [*]S C01336 [2,0,0,0,0,0|1,1,0]=4 289 B1R0.1 [*]S C04298 [2,0,0,0,0,0|1,1,0]=4 290 B1R0.1 [*]S C11482 [2,0,0,0,0,0|1,1,0]=4 291 B1R0.1 [*]S C16736 [2,0,0,0,0,0|1,1,0]=4 292 B1R0.1 [*]S C21097 [2,0,0,0,0,0|1,1,0]=4 293 B1R0.1 [*][*] C01322 [2,0,0,0,0,0|2,0,0]=4 294 B1R0.1 [*][Hg+] C01343 [2,0,0,0,0,0|2,0,0]=4 295 B1R0.1 [C-]#N C00177 [2,0,0,0,0,0|1,0,1]=4 296 B1R0.1 [C-]#N C18673 [2,0,0,0,0,0|1,0,1]=4 297 B1R0.1 [C-]#[O+] C00237 [2,0,0,0,0,0|0,0,2]=4 298 B1R0.1 [H][H] C00282 [2,0,0,0,0,0|2,0,0]=4 299 B1R0.1 [N]=O C00533 [2,0,0,0,0,0|1,0,0]=3 300 B1R0.1 [O-][O-] C17732 [2,0,0,0,0,0|0,0,2]=4 301 B1R0.1 [O-][O-] C18566 [2,0,0,0,0,0|0,0,2]=4 302 B1R0.1 [O][O-] C00704 [2,0,0,0,0,0|0,0,2]=4 303 B1R0.1 [SeH]C C05703 [2,0,0,0,0,0|0,1,1]=4 304 B3R0.1 C#CC=O C05985 [1,1,0,0,0,0|1,0,0]=3 305 B3R0.1 C#CCO C05986 [1,1,0,0,0,0|1,0,1]=4 306 B3R0.1 C(=O)NC C11489 [1,1,0,0,0,0|1,0,0]=3 307 B3R0.1 C=CC#N C01998 [1,1,0,0,0,0|2,0,0]=4 308 B3R0.1 C=CC=C C16450 [1,1,0,0,0,0|2,0,0]=4 309 B3R0.1 C=CC=O C01471 [1,1,0,0,0,0|1,0,0]=3 310 B3R0.1 C=CCCl C19316 [1,1,0,0,0,0|2,0,0]=4 311 B3R0.1 C=CCO C02001 [1,1,0,0,0,0|1,0,0]=3 312 B3R0.1 CCC=O C00479 [1,1,0,0,0,0|1,0,0]=3 313 B3R0.1 CCCO C05979 [1,1,0,0,0,0|1,0,1]=4 314 B3R0.1 CNN=O C19568 [1,1,0,0,0,0|2,0,0]=4 315 B3R0.1 COCCl C19160 [1,1,0,0,0,0|1,0,1]=4 316 B3R0.1 C\N=N\O C20306 [1,1,0,0,0,0|2,0,0]=4 317 B3R0.1 Cl\C=C/Cl C06792 [1,1,0,0,0,0|2,0,0]=4 318 B3R0.1 Cl\C=C\Cl C06791 [1,1,0,0,0,0|2,0,0]=4 319 B3R0.1 NCC=O C06735 [1,1,0,0,0,0|1,0,0]=3 320 B3R0.1 NCCO C00189 [1,1,0,0,0,0|1,0,1]=4 321 B3R0.1 O=CC=O C14448 [1,1,0,0,0,0|0,0,1]=3 322 B3R0.1 O=CCBr C14870 [1,1,0,0,0,0|1,0,0]=3 323 B3R0.1 O=CCCl C06754 [1,1,0,0,0,0|1,0,0]=3 324 B3R0.1 O=CCF C15488 [1,1,0,0,0,0|1,0,0]=3 325 B3R0.1 O=CCO C00266 [1,1,0,0,0,0|0,0,0]=2 326 B3R0.1 O=NO[O-] C16845 [1,1,0,0,0,0|1,0,0]=3 327 B3R0.1 O=[As]O[Na] C11906 [1,1,0,0,0,0|1,0,0]=3 328 B3R0.1 OCCCl C06753 [1,1,0,0,0,0|1,0,1]=4 329 B3R0.1 OCCO C01380 [1,1,0,0,0,0|0,0,1]=3 330 B3R0.1 OCCO C15588 [1,1,0,0,0,0|0,0,1]=3 331 B3R0.1 OCCS C00928 [1,1,0,0,0,0|0,1,1]=4 332 B3R0.1 O\N=N\O C01818 [1,1,0,0,0,0|1,0,0]=3 333 B3R0.1 [*]CO[*] C12942 [1,1,0,0,0,0|1,0,1]=4 334 B3R0.1 [*]NC=O C06049 [1,1,0,0,0,0|1,0,0]=3 335 B3R0.1 [*]OP=O C03497 [1,1,0,0,0,0|1,0,0]=3 336 B3R0.1 [*]\C=C\[*] C01372 [1,1,0,0,0,0|2,0,0]=4 337 B3R0.1 [*]\C=C\[*] C01706 [1,1,0,0,0,0|2,0,0]=4 338 B3R0.1 [*]\C=N\O C02658 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.1 C#CCC(=O)O C06144 [0,2,0,0,0,0|1,0,0]=3 340 B5R0.1 C=COC(C)=O C19309 [0,2,0,0,0,0|1,0,0]=3 341 B5R0.1 C=COC(C)=O C19546 [0,2,0,0,0,0|1,0,0]=3 342 B5R0.1 CC(=O)NCN C02297 [0,2,0,0,0,0|2,0,0]=4 343 B5R0.1 CC(C)=CC=O C07330 [0,2,0,0,0,0|2,0,0]=4 344 B5R0.1 CC(C)=CCO C01390 [0,2,0,0,0,0|2,0,0]=4 345 B5R0.1 CC(O)CCO C20335 [0,2,0,0,0,0|1,0,1]=4 346 B5R0.1 CCCC(=O)O C00246 [0,2,0,0,0,0|1,0,0]=3 347 B5R0.1 CCCC(C)=O C01949 [0,2,0,0,0,0|2,0,0]=4 348 B5R0.1 CCNC(C)=O C21404 [0,2,0,0,0,0|2,0,0]=4 349 B5R0.1 CCOC(C)=O C00849 [0,2,0,0,0,0|1,0,0]=3 350 B5R0.1 CCOC(N)=O C01537 [0,2,0,0,0,0|1,0,0]=3 351 B5R0.1 CNCC(=O)O C00213 [0,2,0,0,0,0|1,0,0]=3 352 B5R0.1 CSCC(=O)O C03173 [0,2,0,0,0,0|0,1,0]=3 353 B5R0.1 C\C=C\C(=O)O C01771 [0,2,0,0,0,0|1,0,0]=3 354 B5R0.1 NC(=O)NCO C06384 [0,2,0,0,0,0|1,0,0]=3 355 B5R0.1 NCCC(=O)O C00099 [0,2,0,0,0,0|1,0,0]=3 356 B5R0.1 NCCC(N)=O C19779 [0,2,0,0,0,0|2,0,0]=4 357 B5R0.1 NCCS(=O)O C00519 [0,2,0,0,0,0|2,0,0]=4 358 B5R0.1 NCNC(N)=O C06383 [0,2,0,0,0,0|2,0,0]=4 359 B5R0.1 N\C=C/C(=O)O C20253 [0,2,0,0,0,0|1,0,0]=3 360 B5R0.1 O=C(O)CCO C01013 [0,2,0,0,0,0|0,0,0]=2 361 B5R0.1 O=C(O)\C=C/Cl C06615 [0,2,0,0,0,0|1,0,0]=3 362 B5R0.1 O=C(O)\C=C\Cl C06614 [0,2,0,0,0,0|1,0,0]=3 363 B5R0.1 O=C(O)\C=C\O C12069 [0,2,0,0,0,0|0,0,0]=2 364 B5R0.1 O=CCC(=O)O C00222 [0,2,0,0,0,0|0,0,1]=3 365 B5R0.1 P(=O)(O)OCC C18401 [0,2,0,0,0,0|1,0,0]=3 366 B5R0.1 [*]C(=O)OCC C04202 [0,2,0,0,0,0|1,0,0]=3 367 B5R0.1 [*]CCC(=O)O C00347 [0,2,0,0,0,0|1,0,0]=3 368 B5R0.1 [*]CCC(=O)O C00638 [0,2,0,0,0,0|1,0,0]=3 369 B5R0.1 [*]COC([*])=O C02434 [0,2,0,0,0,0|1,0,0]=3 370 B5R0.1 [*]\C=C\C(=O)O C11823 [0,2,0,0,0,0|1,0,0]=3 371 B5R0.3 C=CC(=O)OC C19443 [0,2,0,0,0,0|1,0,0]=3 372 B5R0.3 CN(C=O)CO C11488 [0,2,0,0,0,0|2,0,0]=4 373 B5R0.3 CN(CO)N=O C20301 [0,2,0,0,0,0|2,0,0]=4 374 B5R0.3 CNC(=O)NC C16364 [0,2,0,0,0,0|2,0,0]=4 375 B5R0.3 NC[C@H](O)CO C06057 [0,2,0,0,0,0|1,0,1]=4 376 B5R0.3 O=C(CO)CO C00184 [0,2,0,0,0,0|0,0,0]=2 377 B5R0.3 O=CC(O)CO C02154 [0,2,0,0,0,0|0,0,1]=3 378 B5R0.3 O=C[C@@H](O)CO C02426 [0,2,0,0,0,0|0,0,1]=3 379 B5R0.3 O=C[C@H](O)CO C00577 [0,2,0,0,0,0|0,0,1]=3 380 B5R0.3 OCC(O)CCl C18676 [0,2,0,0,0,0|1,0,1]=4 381 B5R0.3 OCC(O)CO C00116 [0,2,0,0,0,0|0,0,2]=4 382 B5R0.3 P(=O)(OC)OC C19406 [0,2,0,0,0,0|1,0,0]=3 383 B5R0.4 CC(C)(O)C=O C21291 [0,2,0,0,0,0|1,0,1]=4 384 B5R0.4 CC(C)(O)CO C21290 [0,2,0,0,0,0|1,0,1]=4 385 B5R0.4 COS(=O)(=O)O C02704 [0,2,0,0,0,0|1,0,0]=3 386 B5R0.4 COS(C)(=O)=O C19181 [0,2,0,0,0,0|1,0,1]=4 387 B5R0.4 NCP(=O)(O)O C11033 [0,2,0,0,0,0|1,0,0]=3 388 B5R0.4 NOP(=O)(O)O C03629 [0,2,0,0,0,0|1,0,0]=3 389 B5R0.4 O=CP(=O)(O)O C17943 [0,2,0,0,0,0|1,0,0]=3 390 B5R0.4 O=P(O)(O)CO C06455 [0,2,0,0,0,0|1,0,0]=3 391 B5R0.4 [*]CS(=O)(=O)O C15521 [0,2,0,0,0,0|1,0,1]=4 392 B5R0.4 [*]NP(=O)(O)O C02058 [0,2,0,0,0,0|1,0,0]=3 393 B5R0.4 [*]NS(=O)(=O)O C01614 [0,2,0,0,0,0|1,0,1]=4 394 B5R0.4 [*]OP(=O)(O)O C01153 [0,2,0,0,0,0|1,0,0]=3 395 B5R0.4 [*]OS(=O)(=O)O C02000 [0,2,0,0,0,0|1,0,0]=3 396 B5R0.4 [*]OS(=O)(=O)O C16738 [0,2,0,0,0,0|1,0,0]=3 397 B5R0.4 [*]SS(=O)(=O)O C02885 [0,2,0,0,0,0|1,0,1]=4 398 B5R0.5 C=C(Cl)C(=O)O C20609 [0,2,0,0,0,0|1,0,0]=3 399 B5R0.5 C=C(N)C(=O)O C02218 [0,2,0,0,0,0|1,0,0]=3 400 B5R0.5 CC(=N)C(=O)O C20904 [0,2,0,0,0,0|1,0,0]=3 401 B5R0.5 CC(=O)C(=O)O C00022 [0,2,0,0,0,0|0,0,1]=3 402 B5R0.5 CC(=O)C(C)=O C00741 [0,2,0,0,0,0|1,0,1]=4 403 B5R0.5 CC(=O)C(C)O C00466 [0,2,0,0,0,0|1,0,0]=3 404 B5R0.5 CC(=O)N(C)C C20339 [0,2,0,0,0,0|2,0,0]=4 405 B5R0.5 CC(=O)[C@@H](C)O C00810 [0,2,0,0,0,0|1,0,0]=3 406 B5R0.5 CC(=O)[C@H](C)O C01769 [0,2,0,0,0,0|1,0,0]=3 407 B5R0.5 CC(C)C(=O)O C02632 [0,2,0,0,0,0|1,0,0]=3 408 B5R0.5 CC(N)C(=O)O C01401 [0,2,0,0,0,0|1,0,0]=3 409 B5R0.5 CC(O)C(=O)O C01432 [0,2,0,0,0,0|0,0,0]=2 410 B5R0.5 CN(C)C(=O)Cl C19175 [0,2,0,0,0,0|2,0,0]=4 411 B5R0.5 C[C@@H](N)C(=O)O C00133 [0,2,0,0,0,0|1,0,0]=3 412 B5R0.5 C[C@@H](O)C(=O)O C00256 [0,2,0,0,0,0|0,0,0]=2 413 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [0,2,0,0,0,0|1,0,1]=4 414 B5R0.5 C[C@H](Cl)C(=O)O C20608 [0,2,0,0,0,0|1,0,0]=3 415 B5R0.5 C[C@H](N)C(=O)O C00041 [0,2,0,0,0,0|1,0,0]=3 416 B5R0.5 C[C@H](O)C(=O)O C00186 [0,2,0,0,0,0|0,0,0]=2 417 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [0,2,0,0,0,0|1,0,1]=4 418 B5R0.5 C[C@H](O)[C@H](C)O C03046 [0,2,0,0,0,0|1,0,1]=4 419 B5R0.5 NC(=O)C(=O)O C01444 [0,2,0,0,0,0|0,0,1]=3 420 B5R0.5 O=C(Cl)C(Cl)Cl C14867 [0,2,0,0,0,0|2,0,0]=4 421 B5R0.5 O=C(O)C(=O)O C00209 [0,2,0,0,0,0|0,0,0]=2 422 B5R0.5 O=C(O)C(Br)Br C20123 [0,2,0,0,0,0|1,0,0]=3 423 B5R0.5 O=C(O)C(Cl)Br C19212 [0,2,0,0,0,0|1,0,0]=3 424 B5R0.5 O=C(O)C(Cl)Cl C11149 [0,2,0,0,0,0|1,0,0]=3 425 B5R0.5 O=C([O-])C(=O)[O-] C17478 [0,2,0,0,0,0|0,0,2]=4 426 B5R0.5 OC(O)C(Cl)Cl C14860 [0,2,0,0,0,0|1,0,1]=4 427 B5R0.5 [*]C(=O)C(=O)O C00161 [0,2,0,0,0,0|0,0,1]=3 428 B5R0.5 [*]C(=O)C([*])O C01398 [0,2,0,0,0,0|1,0,0]=3 429 B5R0.5 [*]C(=O)[C@H]([*])N C01076 [0,2,0,0,0,0|2,0,0]=4 430 B5R0.5 [*]C(C)C(=O)O C06389 [0,2,0,0,0,0|1,0,0]=3 431 B5R0.5 [*]C(N)C(=O)O C00045 [0,2,0,0,0,0|1,0,0]=3 432 B5R0.5 [*]C(N)C(=O)O C05167 [0,2,0,0,0,0|1,0,0]=3 433 B5R0.5 [*]C(O)C(=O)O C02929 [0,2,0,0,0,0|0,0,0]=2 434 B5R0.5 [*]C([*])C(=O)O C02103 [0,2,0,0,0,0|1,0,0]=3 435 B5R0.5 [*]C([*])C(=O)O C15564 [0,2,0,0,0,0|1,0,0]=3 436 B5R0.5 [*][C@@H](N)C(=O)O C00405 [0,2,0,0,0,0|1,0,0]=3 437 B5R0.5 [*][C@@H](O)C(=O)O C02489 [0,2,0,0,0,0|0,0,0]=2 438 B5R0.5 [*][C@H](N)C(=O)O C00151 [0,2,0,0,0,0|1,0,0]=3 439 B5R0.5 [*][C@H](O)C(=O)O C15565 [0,2,0,0,0,0|0,0,0]=2 440 B3R1.1 C1CO1 C06548 [1,0,0,1,0,0|1,0,1]=4 441 B5R1.2 O=C1CCO1 C19297 [0,1,0,1,0,0|1,0,0]=3 442 B5R1.3 O=CC1CO1 C19246 [0,1,0,1,0,0|1,0,1]=4 443 B5R1.3 OCC1CO1 C10920 [0,1,0,1,0,0|1,0,1]=4