0 B4R0.1 C#CC(C)N 18527 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=C(C)CN 22406 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C=CC(N)=O 00004 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(=O)O[Ag] 27325 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)O[TlH2] 01944 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(C)NN 31308 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 CC(C)NO 31263 [0,0,0,0,0,0|2,1,1]=4 7 B4R0.1 CC(O)CO 02837 [0,0,0,0,0,0|0,1,2]=3 8 B4R0.1 CC(O)CO 30099 [0,0,0,0,0,0|0,1,2]=3 9 B4R0.1 CCC(=O)O 01518 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 CCC(=O)O 30086 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CCC(=O)[O-] 01519 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CN(C)C=O 00575 [0,0,0,0,0,0|2,1,1]=4 13 B4R0.1 CN(C)C=O 30143 [0,0,0,0,0,0|2,1,1]=4 14 B4R0.1 CNC(C)=O 27186 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 COC(C)=N 02332 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 CSC(=N)N 29498 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 C[C@@H](N)CO 03170 [0,0,0,0,0,0|1,1,1]=3 18 B4R0.1 C[C@@H](O)CN 16633 [0,0,0,0,0,0|1,0,2]=3 19 B4R0.1 C[C@H](N)CO 03169 [0,0,0,0,0,0|1,1,1]=3 20 B4R0.1 C[C@H](O)CN 16632 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 C[N+](C)=CCl 30327 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 NC(=O)CBr 00841 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 NC(=O)CI 02327 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 NC(=O)CO 22515 [0,0,0,0,0,0|1,1,0]=2 25 B4R0.1 NC(=O)NO 24533 [0,0,0,0,0,0|2,1,0]=3 26 B4R0.1 NCC(=O)O 00163 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 NCC(=O)O 00164 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 NCC(=O)O 32005 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 NCC(=O)[O-] 21750 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 NCC(N)=O 01302 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 NCC(N)=O 06066 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 NNC(N)=O 21889 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 O=C(O)CBr 26843 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 O=C(O)CCl 32016 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 O=C(O)CS 01637 [0,0,0,0,0,0|1,0,0]=1 36 B4R0.1 O=C([O-])CS 00276 [0,0,0,0,0,0|1,0,0]=1 37 B3R0.1 CCON 27342 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.1 CNOC 02098 [1,0,0,0,0,0|3,0,0]=4 39 B3R0.1 NCCBr 14308 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.1 NCCCl 24573 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.1 NCCCl 29860 [1,0,0,0,0,0|2,0,1]=4 42 B3R0.1 NCCO 01169 [1,0,0,0,0,0|1,0,2]=4 43 B3R0.1 NCCO 01731 [1,0,0,0,0,0|1,0,2]=4 44 B3R0.1 NCCO 30090 [1,0,0,0,0,0|1,0,2]=4 45 B3R0.1 NCCS 02839 [1,0,0,0,0,0|1,0,1]=3 46 B3R0.1 NCCS 21200 [1,0,0,0,0,0|1,0,1]=3 47 B3R0.1 OCCO 02069 [1,0,0,0,0,0|0,1,2]=4 48 B3R0.2 C=[N+](C)C 31541 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.2 CC(=N)N 27346 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.2 CC(=O)O 00594 [1,0,0,0,0,0|0,1,0]=2 51 B3R0.2 CC(=O)O 02028 [1,0,0,0,0,0|0,1,0]=2 52 B3R0.2 CC(=O)O 21997 [1,0,0,0,0,0|0,1,0]=2 53 B3R0.2 CC(=O)O 30173 [1,0,0,0,0,0|0,1,0]=2 54 B3R0.2 CC(=O)[O-] 00266 [1,0,0,0,0,0|0,1,0]=2 55 B3R0.2 CC(=O)[O-] 01243 [1,0,0,0,0,0|0,1,0]=2 56 B3R0.2 CC(=O)[O-] 01258 [1,0,0,0,0,0|0,1,0]=2 57 B3R0.2 CC(=O)[O-] 26484 [1,0,0,0,0,0|0,1,0]=2 58 B3R0.2 CC(=O)[O-] 26485 [1,0,0,0,0,0|0,1,0]=2 59 B3R0.2 CC(=O)[O-] 29853 [1,0,0,0,0,0|0,1,0]=2 60 B3R0.2 CC(=O)[O-] 29854 [1,0,0,0,0,0|0,1,0]=2 61 B3R0.2 CC(=O)[O-] 30055 [1,0,0,0,0,0|0,1,0]=2 62 B3R0.2 CC(=O)[O-] 30594 [1,0,0,0,0,0|0,1,0]=2 63 B3R0.2 CC(=O)[O-] 30668 [1,0,0,0,0,0|0,1,0]=2 64 B3R0.2 CC(=O)[O-] 30684 [1,0,0,0,0,0|0,1,0]=2 65 B3R0.2 CC(=O)[O-] 31631 [1,0,0,0,0,0|0,1,0]=2 66 B3R0.2 CC(C)=O 02889 [1,0,0,0,0,0|0,0,0]=1 67 B3R0.2 CC(C)=O 30101 [1,0,0,0,0,0|0,0,0]=1 68 B3R0.2 CC(C)I 00790 [1,0,0,0,0,0|1,0,1]=3 69 B3R0.2 CC(N)=O 06814 [1,0,0,0,0,0|1,0,0]=2 70 B3R0.2 CC(N)=S 02358 [1,0,0,0,0,0|1,0,1]=3 71 B3R0.2 CC(N)=S 30174 [1,0,0,0,0,0|1,0,1]=3 72 B3R0.2 CN(C)C 30724 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.2 CS(C)=O 00635 [1,0,0,0,0,0|1,0,0]=2 74 B3R0.2 CS(C)=O 30145 [1,0,0,0,0,0|1,0,0]=2 75 B3R0.2 N=C(N)Cl 31258 [1,0,0,0,0,0|3,0,0]=4 76 B3R0.2 N=C(N)N 00152 [1,0,0,0,0,0|3,0,0]=4 77 B3R0.2 N=C(N)N 00522 [1,0,0,0,0,0|3,0,0]=4 78 B3R0.2 N=C(N)N 29913 [1,0,0,0,0,0|3,0,0]=4 79 B3R0.2 N=C(N)N 29914 [1,0,0,0,0,0|3,0,0]=4 80 B3R0.2 N=C(N)N 29918 [1,0,0,0,0,0|3,0,0]=4 81 B3R0.2 N=C(N)N 29919 [1,0,0,0,0,0|3,0,0]=4 82 B3R0.2 NC(N)=O 00309 [1,0,0,0,0,0|2,0,0]=3 83 B3R0.2 NC(N)=O 00561 [1,0,0,0,0,0|2,0,0]=3 84 B3R0.2 NC(N)=O 30137 [1,0,0,0,0,0|2,0,0]=3 85 B3R0.2 NC(N)=O 30142 [1,0,0,0,0,0|2,0,0]=3 86 B3R0.2 NC(N)=S 00284 [1,0,0,0,0,0|2,0,1]=4 87 B3R0.2 NC(N)=S 30059 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.2 O=Br(=O)[O-] 26887 [1,0,0,0,0,0|2,1,0]=4 89 B3R0.2 O=Br(=O)[O-] 30232 [1,0,0,0,0,0|2,1,0]=4 90 B3R0.2 O=C(O)O 01206 [1,0,0,0,0,0|1,1,0]=3 91 B3R0.2 O=C(O)O 01682 [1,0,0,0,0,0|1,1,0]=3 92 B3R0.2 O=C(O)O 32014 [1,0,0,0,0,0|1,1,0]=3 93 B3R0.2 O=C([O-])O 00084 [1,0,0,0,0,0|1,1,0]=3 94 B3R0.2 O=C([O-])O 01244 [1,0,0,0,0,0|1,1,0]=3 95 B3R0.2 O=C([O-])O 26477 [1,0,0,0,0,0|1,1,0]=3 96 B3R0.2 O=C([O-])O 29263 [1,0,0,0,0,0|1,1,0]=3 97 B3R0.2 O=C([O-])O 30079 [1,0,0,0,0,0|1,1,0]=3 98 B3R0.2 O=C([O-])O 30129 [1,0,0,0,0,0|1,1,0]=3 99 B3R0.2 O=C([O-])[O-] 01219 [1,0,0,0,0,0|1,1,0]=3 100 B3R0.2 O=C([O-])[O-] 01227 [1,0,0,0,0,0|1,1,0]=3 101 B3R0.2 O=C([O-])[O-] 01246 [1,0,0,0,0,0|1,1,0]=3 102 B3R0.2 O=C([O-])[O-] 01261 [1,0,0,0,0,0|1,1,0]=3 103 B3R0.2 O=C([O-])[O-] 01955 [1,0,0,0,0,0|1,1,0]=3 104 B3R0.2 O=C([O-])[O-] 15134 [1,0,0,0,0,0|1,1,0]=3 105 B3R0.2 O=C([O-])[O-] 22919 [1,0,0,0,0,0|1,1,0]=3 106 B3R0.2 O=C([O-])[O-] 26480 [1,0,0,0,0,0|1,1,0]=3 107 B3R0.2 O=C([O-])[O-] 30109 [1,0,0,0,0,0|1,1,0]=3 108 B3R0.2 O=C([O-])[O-] 30122 [1,0,0,0,0,0|1,1,0]=3 109 B3R0.2 O=C([O-])[O-] 30155 [1,0,0,0,0,0|1,1,0]=3 110 B3R0.2 O=C([O-])[O-] 30159 [1,0,0,0,0,0|1,1,0]=3 111 B3R0.2 O=C([O-])[O-] 30237 [1,0,0,0,0,0|1,1,0]=3 112 B3R0.2 O=C([O-])[O-] 30238 [1,0,0,0,0,0|1,1,0]=3 113 B3R0.2 O=C([O-])[O-] 30239 [1,0,0,0,0,0|1,1,0]=3 114 B3R0.2 O=C([O-])[O-] 30250 [1,0,0,0,0,0|1,1,0]=3 115 B3R0.2 O=C([O-])[O-] 30276 [1,0,0,0,0,0|1,1,0]=3 116 B3R0.2 O=C([O-])[O-] 30286 [1,0,0,0,0,0|1,1,0]=3 117 B3R0.2 O=C([O-])[O-] 30299 [1,0,0,0,0,0|1,1,0]=3 118 B3R0.2 O=C([O-])[O-] 30300 [1,0,0,0,0,0|1,1,0]=3 119 B3R0.2 O=C([O-])[O-] 30574 [1,0,0,0,0,0|1,1,0]=3 120 B3R0.2 O=C([O-])[O-] 30584 [1,0,0,0,0,0|1,1,0]=3 121 B3R0.2 O=C([O-])[O-] 30592 [1,0,0,0,0,0|1,1,0]=3 122 B3R0.2 O=C([O-])[O-] 30608 [1,0,0,0,0,0|1,1,0]=3 123 B3R0.2 O=C([O-])[O-] 30618 [1,0,0,0,0,0|1,1,0]=3 124 B3R0.2 O=C([O-])[O-] 30619 [1,0,0,0,0,0|1,1,0]=3 125 B3R0.2 O=C([O-])[O-] 30620 [1,0,0,0,0,0|1,1,0]=3 126 B3R0.2 O=C([O-])[O-] 30660 [1,0,0,0,0,0|1,1,0]=3 127 B3R0.2 O=C([O-])[O-] 32037 [1,0,0,0,0,0|1,1,0]=3 128 B3R0.2 O=Cl(=O)[O-] 30198 [1,0,0,0,0,0|2,1,0]=4 129 B3R0.2 O=Cl(=O)[O-] 30200 [1,0,0,0,0,0|2,1,0]=4 130 B3R0.2 O=I(=O)O 30208 [1,0,0,0,0,0|2,1,0]=4 131 B3R0.2 O=I(=O)O 32026 [1,0,0,0,0,0|2,1,0]=4 132 B3R0.2 O=I(=O)[O-] 27298 [1,0,0,0,0,0|2,1,0]=4 133 B3R0.2 O=I(=O)[O-] 29538 [1,0,0,0,0,0|2,1,0]=4 134 B3R0.2 O=I(=O)[O-] 29923 [1,0,0,0,0,0|2,1,0]=4 135 B3R0.2 O=I(=O)[O-] 30028 [1,0,0,0,0,0|2,1,0]=4 136 B3R0.2 O=P(=O)O 32042 [1,0,0,0,0,0|2,1,0]=4 137 B3R0.2 O=S(O)O 27608 [1,0,0,0,0,0|2,1,0]=4 138 B3R0.2 O=S([O-])O 01644 [1,0,0,0,0,0|2,1,0]=4 139 B3R0.2 O=S([O-])[O-] 01630 [1,0,0,0,0,0|2,1,0]=4 140 B3R0.2 O=S([O-])[O-] 31892 [1,0,0,0,0,0|2,1,0]=4 141 B3R0.2 O=[Bi](=O)[O-] 22790 [1,0,0,0,0,0|2,1,0]=4 142 B3R0.2 O=[Cr](=O)=O 07213 [1,0,0,0,0,0|2,1,0]=4 143 B3R0.2 O=[Cr](=O)=O 30105 [1,0,0,0,0,0|2,1,0]=4 144 B3R0.2 O=[Mo](=O)=O 30197 [1,0,0,0,0,0|2,1,0]=4 145 B3R0.2 O=[N+]([O-])O 00022 [1,0,0,0,0,0|2,1,0]=4 146 B3R0.2 O=[N+]([O-])O 01678 [1,0,0,0,0,0|2,1,0]=4 147 B3R0.2 O=[N+]([O-])O 24617 [1,0,0,0,0,0|2,1,0]=4 148 B3R0.2 O=[N+]([O-])O 30119 [1,0,0,0,0,0|2,1,0]=4 149 B3R0.2 O=[N+]([O-])O 30179 [1,0,0,0,0,0|2,1,0]=4 150 B3R0.2 O=[N+]([O-])[O-] 00265 [1,0,0,0,0,0|2,1,0]=4 151 B3R0.2 O=[N+]([O-])[O-] 00677 [1,0,0,0,0,0|2,1,0]=4 152 B3R0.2 O=[N+]([O-])[O-] 00849 [1,0,0,0,0,0|2,1,0]=4 153 B3R0.2 O=[N+]([O-])[O-] 01251 [1,0,0,0,0,0|2,1,0]=4 154 B3R0.2 O=[N+]([O-])[O-] 01437 [1,0,0,0,0,0|2,1,0]=4 155 B3R0.2 O=[N+]([O-])[O-] 01524 [1,0,0,0,0,0|2,1,0]=4 156 B3R0.2 O=[N+]([O-])[O-] 22789 [1,0,0,0,0,0|2,1,0]=4 157 B3R0.2 O=[N+]([O-])[O-] 22850 [1,0,0,0,0,0|2,1,0]=4 158 B3R0.2 O=[N+]([O-])[O-] 22853 [1,0,0,0,0,0|2,1,0]=4 159 B3R0.2 O=[N+]([O-])[O-] 22940 [1,0,0,0,0,0|2,1,0]=4 160 B3R0.2 O=[N+]([O-])[O-] 22946 [1,0,0,0,0,0|2,1,0]=4 161 B3R0.2 O=[N+]([O-])[O-] 23172 [1,0,0,0,0,0|2,1,0]=4 162 B3R0.2 O=[N+]([O-])[O-] 24556 [1,0,0,0,0,0|2,1,0]=4 163 B3R0.2 O=[N+]([O-])[O-] 24565 [1,0,0,0,0,0|2,1,0]=4 164 B3R0.2 O=[N+]([O-])[O-] 24614 [1,0,0,0,0,0|2,1,0]=4 165 B3R0.2 O=[N+]([O-])[O-] 24615 [1,0,0,0,0,0|2,1,0]=4 166 B3R0.2 O=[N+]([O-])[O-] 27302 [1,0,0,0,0,0|2,1,0]=4 167 B3R0.2 O=[N+]([O-])[O-] 27402 [1,0,0,0,0,0|2,1,0]=4 168 B3R0.2 O=[N+]([O-])[O-] 28052 [1,0,0,0,0,0|2,1,0]=4 169 B3R0.2 O=[N+]([O-])[O-] 28490 [1,0,0,0,0,0|2,1,0]=4 170 B3R0.2 O=[N+]([O-])[O-] 28568 [1,0,0,0,0,0|2,1,0]=4 171 B3R0.2 O=[N+]([O-])[O-] 29815 [1,0,0,0,0,0|2,1,0]=4 172 B3R0.2 O=[N+]([O-])[O-] 29830 [1,0,0,0,0,0|2,1,0]=4 173 B3R0.2 O=[N+]([O-])[O-] 29856 [1,0,0,0,0,0|2,1,0]=4 174 B3R0.2 O=[N+]([O-])[O-] 30071 [1,0,0,0,0,0|2,1,0]=4 175 B3R0.2 O=[N+]([O-])[O-] 30134 [1,0,0,0,0,0|2,1,0]=4 176 B3R0.2 O=[N+]([O-])[O-] 30156 [1,0,0,0,0,0|2,1,0]=4 177 B3R0.2 O=[N+]([O-])[O-] 30163 [1,0,0,0,0,0|2,1,0]=4 178 B3R0.2 O=[N+]([O-])[O-] 30222 [1,0,0,0,0,0|2,1,0]=4 179 B3R0.2 O=[N+]([O-])[O-] 30223 [1,0,0,0,0,0|2,1,0]=4 180 B3R0.2 O=[N+]([O-])[O-] 30229 [1,0,0,0,0,0|2,1,0]=4 181 B3R0.2 O=[N+]([O-])[O-] 30235 [1,0,0,0,0,0|2,1,0]=4 182 B3R0.2 O=[N+]([O-])[O-] 30248 [1,0,0,0,0,0|2,1,0]=4 183 B3R0.2 O=[N+]([O-])[O-] 30251 [1,0,0,0,0,0|2,1,0]=4 184 B3R0.2 O=[N+]([O-])[O-] 30254 [1,0,0,0,0,0|2,1,0]=4 185 B3R0.2 O=[N+]([O-])[O-] 30255 [1,0,0,0,0,0|2,1,0]=4 186 B3R0.2 O=[N+]([O-])[O-] 30267 [1,0,0,0,0,0|2,1,0]=4 187 B3R0.2 O=[N+]([O-])[O-] 30277 [1,0,0,0,0,0|2,1,0]=4 188 B3R0.2 O=[N+]([O-])[O-] 30293 [1,0,0,0,0,0|2,1,0]=4 189 B3R0.2 O=[N+]([O-])[O-] 30294 [1,0,0,0,0,0|2,1,0]=4 190 B3R0.2 O=[N+]([O-])[O-] 30611 [1,0,0,0,0,0|2,1,0]=4 191 B3R0.2 O=[N+]([O-])[O-] 30624 [1,0,0,0,0,0|2,1,0]=4 192 B3R0.2 O=[N+]([O-])[O-] 30672 [1,0,0,0,0,0|2,1,0]=4 193 B3R0.2 O=[N+]([O-])[O-] 30685 [1,0,0,0,0,0|2,1,0]=4 194 B3R0.2 O=[Se](O)O 02887 [1,0,0,0,0,0|2,1,0]=4 195 B3R0.2 O=[Se]([O-])[O-] 00784 [1,0,0,0,0,0|2,1,0]=4 196 B3R0.2 O=[Sn]([O-])[O-] 02909 [1,0,0,0,0,0|2,1,0]=4 197 B3R0.2 O=[Sn]([O-])[O-] 02910 [1,0,0,0,0,0|2,1,0]=4 198 B3R0.2 O=[Te]([O-])[O-] 00850 [1,0,0,0,0,0|2,1,0]=4 199 B3R0.2 O=[V](=O)O 01434 [1,0,0,0,0,0|2,1,0]=4 200 B3R0.2 O=[V](=O)O 31761 [1,0,0,0,0,0|2,1,0]=4 201 B5R0.1 C#CCC(=O)O 28620 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.1 CC(=O)NCO 02319 [0,1,0,0,0,0|0,1,0]=2 203 B5R0.1 CCOC(C)=O 00757 [0,1,0,0,0,0|1,0,0]=2 204 B5R0.1 CCOC(C)=O 30066 [0,1,0,0,0,0|1,0,0]=2 205 B5R0.1 CCOC(N)=O 27154 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.1 CN(C)CCN 22268 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.1 CNCC(=O)O 01319 [0,1,0,0,0,0|2,0,0]=3 208 B5R0.1 CNCC(N)=O 06366 [0,1,0,0,0,0|2,0,0]=3 209 B5R0.1 C\C(N)=C/C#N 28659 [0,1,0,0,0,0|2,0,1]=4 210 B5R0.1 C\C=C\C(=O)O 26844 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.1 N#CCC(=O)O 14385 [0,1,0,0,0,0|2,0,0]=3 212 B5R0.1 N#CCC(N)=O 27159 [0,1,0,0,0,0|2,0,0]=3 213 B5R0.1 NCCC(=O)O 00324 [0,1,0,0,0,0|2,0,0]=3 214 B5R0.1 NCCC(N)=O 04406 [0,1,0,0,0,0|2,0,0]=3 215 B5R0.1 O=C(O)CCBr 24459 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.1 O=C(O)\C=C/Br 16527 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.1 O=C(O)\C=C/I 16560 [0,1,0,0,0,0|2,0,1]=4 218 B5R0.3 BrCC(Br)CBr 07260 [0,1,0,0,0,0|2,0,1]=4 219 B5R0.3 CCN(C)CC 22533 [0,1,0,0,0,0|3,0,0]=4 220 B5R0.3 CNC(=O)CN 03070 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.3 CNC(=O)NC 02542 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.3 CNC(=S)NN 27127 [0,1,0,0,0,0|2,1,0]=4 223 B5R0.3 COC(=O)CBr 14023 [0,1,0,0,0,0|1,0,0]=2 224 B5R0.3 COC(=O)CN 03074 [0,1,0,0,0,0|1,0,0]=2 225 B5R0.3 NC(CO)CO 31958 [0,1,0,0,0,0|1,1,1]=4 226 B5R0.3 NCC(O)CO 31959 [0,1,0,0,0,0|0,1,2]=4 227 B5R0.3 O=C(O[Ag])O[Ag] 26884 [0,1,0,0,0,0|3,0,0]=4 228 B5R0.3 O=C(O[Ag])O[Ag] 29515 [0,1,0,0,0,0|3,0,0]=4 229 B5R0.3 O=CC(O)CO 20937 [0,1,0,0,0,0|1,1,1]=4 230 B5R0.3 O=C[C@H](O)CO 21212 [0,1,0,0,0,0|1,1,1]=4 231 B5R0.3 OC(CCl)CCl 26763 [0,1,0,0,0,0|1,0,2]=4 232 B5R0.3 OCC(O)CO 00599 [0,1,0,0,0,0|0,1,2]=4 233 B5R0.3 OCC(O)CO 30144 [0,1,0,0,0,0|0,1,2]=4 234 B5R0.3 OCC(O)CS 00691 [0,1,0,0,0,0|0,0,2]=3 235 B5R0.4 CC(C)(N)CO 00681 [0,1,0,0,0,0|1,1,1]=4 236 B5R0.4 CC(C)(N)CO 01156 [0,1,0,0,0,0|1,1,1]=4 237 B5R0.4 COS(C)(=O)=O 31534 [0,1,0,0,0,0|3,0,0]=4 238 B5R0.4 CSS(C)(=O)=O 22994 [0,1,0,0,0,0|3,0,0]=4 239 B5R0.4 NCS(=O)(=O)O 01967 [0,1,0,0,0,0|3,0,0]=4 240 B5R0.5 CC(=O)C(=O)O 01522 [0,1,0,0,0,0|0,1,1]=3 241 B5R0.5 CC(=O)C(=O)[O-] 01189 [0,1,0,0,0,0|0,1,1]=3 242 B5R0.5 CC(=O)C(C)O 02002 [0,1,0,0,0,0|0,1,0]=2 243 B5R0.5 CC(=O)N(C)C 02302 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.5 CC(Br)C(=O)O 24474 [0,1,0,0,0,0|2,0,0]=3 245 B5R0.5 CC(N)C(=O)O 00017 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.5 CC(O)C(=O)O 32027 [0,1,0,0,0,0|1,1,0]=3 247 B5R0.5 CC(O)C(=O)[O-] 01614 [0,1,0,0,0,0|1,1,0]=3 248 B5R0.5 CC(O)C(=O)[O-] 26499 [0,1,0,0,0,0|1,1,0]=3 249 B5R0.5 CN(C)C(N)=O 21201 [0,1,0,0,0,0|3,0,0]=4 250 B5R0.5 C[C@@H](Cl)C(=O)O 09842 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.5 C[C@@H](N)C(=O)O 00016 [0,1,0,0,0,0|2,0,0]=3 252 B5R0.5 C[C@@H](N)C(=O)O 00221 [0,1,0,0,0,0|2,0,0]=3 253 B5R0.5 C[C@@H](N)C(N)=O 03011 [0,1,0,0,0,0|2,0,0]=3 254 B5R0.5 C[C@@H](O)C(=O)O 08023 [0,1,0,0,0,0|1,1,0]=3 255 B5R0.5 C[C@H](Cl)C(=O)O 09905 [0,1,0,0,0,0|2,0,0]=3 256 B5R0.5 C[C@H](N)C(=O)O 00019 [0,1,0,0,0,0|2,0,0]=3 257 B5R0.5 C[C@H](N)C(=O)O 26711 [0,1,0,0,0,0|2,0,0]=3 258 B5R0.5 C[C@H](N)C(=O)O 26712 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.5 C[C@H](N)C(N)=O 03010 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.5 C[C@H](N)C(N)=O 05831 [0,1,0,0,0,0|2,0,0]=3 261 B5R0.5 C[C@H](N)C(N)=O 05832 [0,1,0,0,0,0|2,0,0]=3 262 B5R0.5 C[C@H](O)C(=O)O 21919 [0,1,0,0,0,0|1,1,0]=3 263 B5R0.5 C[C@H](O)C(=O)[O-] 00420 [0,1,0,0,0,0|1,1,0]=3 264 B5R0.5 NC(=O)C(=O)[O-] 00374 [0,1,0,0,0,0|1,1,1]=4 265 B5R0.5 NC(=O)C(N)=O 27158 [0,1,0,0,0,0|1,1,1]=4 266 B5R0.5 O=C(Cl)C(=O)Cl 29567 [0,1,0,0,0,0|1,1,1]=4 267 B5R0.5 O=C(O)C(=O)O 00328 [0,1,0,0,0,0|1,1,1]=4 268 B5R0.5 O=C(O)C(=O)O 01241 [0,1,0,0,0,0|1,1,1]=4 269 B5R0.5 O=C(O)C(Cl)Cl 00504 [0,1,0,0,0,0|2,0,0]=3 270 B5R0.5 O=C(O)C(F)F 24475 [0,1,0,0,0,0|2,0,0]=3 271 B5R0.5 O=C([O-])C(=O)[O-] 01252 [0,1,0,0,0,0|1,1,1]=4 272 B5R0.5 O=C([O-])C(=O)[O-] 01267 [0,1,0,0,0,0|1,1,1]=4 273 B5R0.5 O=C([O-])C(=O)[O-] 26493 [0,1,0,0,0,0|1,1,1]=4 274 B5R1.2 IC1COC1 31868 [0,0,0,1,0,0|1,1,1]=4 275 B5R1.2 NC1COC1 31466 [0,0,0,1,0,0|1,1,1]=4 276 B5R1.2 O=C1COC1 31468 [0,0,0,1,0,0|0,1,0]=2 277 B5R1.2 OC1COC1 31486 [0,0,0,1,0,0|0,1,2]=4 278 B5R1.3 BrCC1CC1 07249 [0,0,0,1,0,0|2,0,1]=4 279 B5R1.3 ClCC1CO1 24484 [0,0,0,1,0,0|1,0,2]=4 280 B5R1.3 ClC[C@@H]1CO1 24603 [0,0,0,1,0,0|1,0,2]=4 281 B5R1.3 ClC[C@H]1CO1 24602 [0,0,0,1,0,0|1,0,2]=4 282 B5R1.3 OC[C@@H]1CO1 29803 [0,0,0,1,0,0|0,1,2]=4 283 B2R0.1 CC#N 00753 [2,0,0,0,0,0|1,0,1]=4 284 B2R0.1 CC#N 29544 [2,0,0,0,0,0|1,0,1]=4 285 B2R0.1 CC#N 30064 [2,0,0,0,0,0|1,0,1]=4 286 B2R0.1 CC=O 32009 [2,0,0,0,0,0|0,0,0]=2 287 B2R0.1 CC[O-] 06891 [2,0,0,0,0,0|0,1,0]=3 288 B2R0.1 CNC 30725 [2,0,0,0,0,0|1,0,0]=3 289 B2R0.1 CSC 02474 [2,0,0,0,0,0|1,0,0]=3 290 B2R0.1 CSC 31863 [2,0,0,0,0,0|1,0,0]=3 291 B2R0.1 ClCCl 00758 [2,0,0,0,0,0|2,0,0]=4 292 B2R0.1 N#CS 01217 [2,0,0,0,0,0|1,0,1]=4 293 B2R0.1 N#CS 30076 [2,0,0,0,0,0|1,0,1]=4 294 B2R0.1 O=B[O-] 30189 [2,0,0,0,0,0|1,1,0]=4 295 B2R0.1 O=B[O-] 30257 [2,0,0,0,0,0|1,1,0]=4 296 B2R0.1 O=B[O-] 30258 [2,0,0,0,0,0|1,1,0]=4 297 B2R0.1 O=B[O-] 30600 [2,0,0,0,0,0|1,1,0]=4 298 B2R0.1 O=B[O-] 30632 [2,0,0,0,0,0|1,1,0]=4 299 B2R0.1 O=B[O-] 30635 [2,0,0,0,0,0|1,1,0]=4 300 B2R0.1 O=CO 00327 [2,0,0,0,0,0|0,1,0]=3 301 B2R0.1 O=CO 32007 [2,0,0,0,0,0|0,1,0]=3 302 B2R0.1 O=C[O-] 26492 [2,0,0,0,0,0|0,1,0]=3 303 B2R0.1 O=C[O-] 26496 [2,0,0,0,0,0|0,1,0]=3 304 B2R0.1 O=C[O-] 26503 [2,0,0,0,0,0|0,1,0]=3 305 B2R0.1 O=C[O-] 30188 [2,0,0,0,0,0|0,1,0]=3 306 B2R0.1 O=N[O-] 01633 [2,0,0,0,0,0|1,1,0]=4 307 B2R0.1 O=N[O-] 32019 [2,0,0,0,0,0|1,1,0]=4 308 B2R0.1 O=[Bi]Cl 30565 [2,0,0,0,0,0|2,0,0]=4 309 B2R0.1 O=[Bi]I 30566 [2,0,0,0,0,0|2,0,0]=4 310 B2R0.1 O=[Ir]=O 29266 [2,0,0,0,0,0|1,1,0]=4 311 B2R0.1 O=[Mn]=O 29832 [2,0,0,0,0,0|1,1,0]=4 312 B2R0.1 O=[Mn]=O 29834 [2,0,0,0,0,0|1,1,0]=4 313 B2R0.1 O=[Mn]=O 30616 [2,0,0,0,0,0|1,1,0]=4 314 B2R0.1 O=[Mn]=O 30671 [2,0,0,0,0,0|1,1,0]=4 315 B2R0.1 O=[Pb]=O 30185 [2,0,0,0,0,0|1,1,0]=4 316 B2R0.1 O=[Pt]=O 27791 [2,0,0,0,0,0|1,1,0]=4 317 B4R0.2 C#CCCC 27222 [1,1,0,0,0,0|1,0,1]=4 318 B4R0.2 C=CCC#N 26796 [1,1,0,0,0,0|1,0,1]=4 319 B4R0.2 C=CCCBr 24439 [1,1,0,0,0,0|1,0,1]=4 320 B4R0.2 C=CCON 27343 [1,1,0,0,0,0|0,1,1]=4 321 B4R0.2 C=CC[Pd]Cl 31490 [1,1,0,0,0,0|1,0,1]=4 322 B4R0.2 CC#CCO 26851 [1,1,0,0,0,0|0,1,1]=4 323 B4R0.2 CCCCBr 24440 [1,1,0,0,0,0|1,0,1]=4 324 B4R0.2 CCNCC 14089 [1,1,0,0,0,0|1,0,1]=4 325 B4R0.2 CNCCCl 22455 [1,1,0,0,0,0|1,0,1]=4 326 B4R0.2 COCCBr 26740 [1,1,0,0,0,0|1,0,1]=4 327 B4R0.2 ClCCCBr 24449 [1,1,0,0,0,0|1,0,1]=4 328 B4R0.2 NCCCBr 15159 [1,1,0,0,0,0|1,0,1]=4 329 B4R0.2 NCCCN 24749 [1,1,0,0,0,0|1,0,1]=4 330 B4R0.2 NCCCO 15138 [1,1,0,0,0,0|0,1,1]=4 331 B4R0.2 OCCCBr 24461 [1,1,0,0,0,0|0,1,1]=4 332 B4R0.2 OCCCO 24462 [1,1,0,0,0,0|0,1,1]=4 333 B4R0.3 CC(C)(C)N 31551 [1,1,0,0,0,0|1,0,1]=4 334 B4R0.3 CC(C)(C)O 03682 [1,1,0,0,0,0|0,0,2]=4 335 B4R0.3 CC(C)(C)O 30102 [1,1,0,0,0,0|0,0,2]=4 336 B4R0.3 CC(C)(C)[O-] 27317 [1,1,0,0,0,0|0,0,2]=4 337 B4R0.3 CC(C)(C)[O-] 27575 [1,1,0,0,0,0|0,0,2]=4 338 B4R0.3 CC(C)(C)[O-] 29540 [1,1,0,0,0,0|0,0,2]=4 339 B4R0.3 CC(C)(C)[O-] 29541 [1,1,0,0,0,0|0,0,2]=4 340 B4R0.3 CC(C)(C)[O-] 29547 [1,1,0,0,0,0|0,0,2]=4 341 B4R0.3 C[N+](C)(C)C 00858 [1,1,0,0,0,0|2,0,0]=4 342 B4R0.3 C[N+](C)(C)C 01953 [1,1,0,0,0,0|2,0,0]=4 343 B4R0.3 C[N+](C)(C)C 30073 [1,1,0,0,0,0|2,0,0]=4 344 B4R0.3 C[N+](C)(C)C 30428 [1,1,0,0,0,0|2,0,0]=4 345 B4R0.3 C[N+](C)(C)C 30446 [1,1,0,0,0,0|2,0,0]=4 346 B4R0.3 C[N+](C)(C)C 31604 [1,1,0,0,0,0|2,0,0]=4 347 B4R0.3 C[N+](C)(C)C 31605 [1,1,0,0,0,0|2,0,0]=4 348 B4R0.3 C[N+](C)(C)C 31607 [1,1,0,0,0,0|2,0,0]=4 349 B4R0.3 C[N+](C)(C)C 31609 [1,1,0,0,0,0|2,0,0]=4 350 B4R0.3 C[N+](C)(C)C 31620 [1,1,0,0,0,0|2,0,0]=4 351 B4R0.3 C[N+](C)(C)C 32028 [1,1,0,0,0,0|2,0,0]=4 352 B4R0.3 C[S+](C)(C)=O 30026 [1,1,0,0,0,0|1,0,0]=3 353 B4R0.3 C[Si](C)(C)Br 01939 [1,1,0,0,0,0|1,1,0]=4 354 B4R0.3 C[Si](C)(C)C 32001 [1,1,0,0,0,0|1,1,0]=4 355 B4R0.3 C[Si](C)(C)I 31519 [1,1,0,0,0,0|1,1,0]=4 356 B4R0.3 C[Si](C)(Cl)Cl 00560 [1,1,0,0,0,0|1,1,0]=4 357 B6R0.1 C#CC(=O)OCC 24547 [0,2,0,0,0,0|1,0,1]=4 358 B6R0.1 CCOC(=O)CN 03073 [0,2,0,0,0,0|1,0,0]=3 359 B6R0.1 CCO\C(C)=N\O 31305 [0,2,0,0,0,0|1,0,1]=4 360 B6R0.1 CNC(=O)CC#N 17980 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.1 CNCC(=O)OC 03135 [0,2,0,0,0,0|1,0,0]=3 362 B6R0.1 COC(=O)CCBr 06991 [0,2,0,0,0,0|1,0,0]=3 363 B6R0.1 COC(=O)CCN 04408 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.2 CC(=O)CC(C)=O 02346 [0,2,0,0,0,0|0,1,0]=3 365 B6R0.2 CC(=O)OC(C)=O 00819 [0,2,0,0,0,0|0,1,1]=4 366 B6R0.2 CC(=O)OC(C)=O 30148 [0,2,0,0,0,0|0,1,1]=4 367 B6R0.2 CC(N)CC(=O)O 21614 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.2 CC(O)CC(=O)[O-] 22037 [0,2,0,0,0,0|1,1,0]=4 369 B6R0.2 C[C@@H](N)CC(=O)O 16636 [0,2,0,0,0,0|2,0,0]=4 370 B6R0.2 C[C@H](N)CC(=O)O 12762 [0,2,0,0,0,0|2,0,0]=4 371 B6R0.2 C[C@H](N)CC(=O)O 21056 [0,2,0,0,0,0|2,0,0]=4 372 B6R0.2 O=C(O)CC(=O)O 02873 [0,2,0,0,0,0|1,1,0]=4 373 B6R0.2 O=C([O-])CC(=O)[O-] 01959 [0,2,0,0,0,0|1,1,0]=4 374 B6R0.3 C=CC(=O)N(C)C 30343 [0,2,0,0,0,0|1,0,1]=4 375 B6R0.3 CC(CN)C(=O)O 21653 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.3 CCC(=O)C(=O)[O-] 00470 [0,2,0,0,0,0|0,1,1]=4 377 B6R0.3 CCC(O)C(=O)[O-] 21649 [0,2,0,0,0,0|1,1,0]=4 378 B6R0.3 CC[C@@H](N)C(=O)O 00806 [0,2,0,0,0,0|2,0,0]=4 379 B6R0.3 CC[C@H](N)C(=O)O 01432 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.3 CC[C@H](N)C(N)=O 05812 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.3 CC[C@H](N)C(N)=O 11653 [0,2,0,0,0,0|2,0,0]=4 382 B6R0.3 CC[C@H](O)C(=O)O 21126 [0,2,0,0,0,0|1,1,0]=4 383 B6R0.3 CN(C)C(=O)CN 06069 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.3 CN(C)C(=O)CN 14018 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.3 CNC(=O)[C@H](C)N 05833 [0,2,0,0,0,0|1,0,0]=3 386 B6R0.3 CNC(C)C(=O)O 06342 [0,2,0,0,0,0|2,0,0]=4 387 B6R0.3 CN[C@@H](C)C(=O)O 02647 [0,2,0,0,0,0|2,0,0]=4 388 B6R0.3 CN[C@H](C)C(=O)O 04405 [0,2,0,0,0,0|2,0,0]=4 389 B6R0.3 COC(=N)C(C)C 24297 [0,2,0,0,0,0|2,0,0]=4 390 B6R0.3 COC(=O)C(C)N 06029 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.3 COC(=O)[C@@H](C)N 03016 [0,2,0,0,0,0|1,0,0]=3 392 B6R0.3 COC(=O)[C@H](C)N 02890 [0,2,0,0,0,0|1,0,0]=3 393 B6R0.3 CON(C)C(C)=O 31364 [0,2,0,0,0,0|1,1,0]=4 394 B6R0.3 NC(=O)[C@@H](N)CO 09121 [0,2,0,0,0,0|1,1,0]=4 395 B6R0.3 NC(CCl)C(=O)O 06231 [0,2,0,0,0,0|2,0,0]=4 396 B6R0.3 NC(CF)C(=O)O 07044 [0,2,0,0,0,0|2,0,0]=4 397 B6R0.3 NC(CO)C(=O)O 00556 [0,2,0,0,0,0|1,1,0]=4 398 B6R0.3 NC(CS)C(=O)O 21500 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.3 NC(CS)C(=O)O 21624 [0,2,0,0,0,0|1,0,0]=3 400 B6R0.3 NC(CS)C(=O)O 21654 [0,2,0,0,0,0|1,0,0]=3 401 B6R0.3 NCC(N)C(=O)O 21559 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.3 NCC(O)C(=O)O 07068 [0,2,0,0,0,0|1,1,0]=4 403 B6R0.3 NC[C@@H](N)C(=O)O 05645 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.3 NC[C@H](N)C(=O)O 01314 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.3 N[C@@H](CCl)C(=O)O 06226 [0,2,0,0,0,0|2,0,0]=4 406 B6R0.3 N[C@@H](CCl)C(=O)O 06227 [0,2,0,0,0,0|2,0,0]=4 407 B6R0.3 N[C@@H](CO)C(=O)O 00279 [0,2,0,0,0,0|1,1,0]=4 408 B6R0.3 N[C@@H](CS)C(=O)O 00085 [0,2,0,0,0,0|1,0,0]=3 409 B6R0.3 N[C@@H](CS)C(=O)O 00087 [0,2,0,0,0,0|1,0,0]=3 410 B6R0.3 N[C@@H](CS)C(=O)O 00437 [0,2,0,0,0,0|1,0,0]=3 411 B6R0.3 N[C@@H](CS)C(=O)O 24758 [0,2,0,0,0,0|1,0,0]=3 412 B6R0.3 N[C@@H](CS)C(=O)O 31108 [0,2,0,0,0,0|1,0,0]=3 413 B6R0.3 N[C@H](CCl)C(=O)O 06229 [0,2,0,0,0,0|2,0,0]=4 414 B6R0.3 N[C@H](CO)C(=O)O 00262 [0,2,0,0,0,0|1,1,0]=4 415 B6R0.3 N[C@H](CS)C(=O)O 00086 [0,2,0,0,0,0|1,0,0]=3 416 B6R0.3 N[C@H](CS)C(=O)O 21754 [0,2,0,0,0,0|1,0,0]=3 417 B6R0.4 C#CCCC(=O)O 26911 [0,2,0,0,0,0|2,0,0]=4 418 B6R0.4 C#CCCC(=O)O 29558 [0,2,0,0,0,0|2,0,0]=4 419 B6R0.4 NCCCC(=O)O 04887 [0,2,0,0,0,0|2,0,0]=4 420 B6R0.4 O=C(O)CCCBr 26847 [0,2,0,0,0,0|2,0,0]=4 421 B6R0.4 O=C(O)CCCS 22299 [0,2,0,0,0,0|1,0,0]=3 422 B6R0.5 CS(=O)(=O)CCN 23676 [0,2,0,0,0,0|2,0,0]=4 423 B6R0.7 CC(C)(N)C(=O)O 02864 [0,2,0,0,0,0|2,0,0]=4 424 B6R0.7 CC(C)(O)C(=O)O 14074 [0,2,0,0,0,0|1,1,0]=4 425 B6R0.7 NC(=O)C(F)(F)F 00290 [0,2,0,0,0,0|2,0,0]=4 426 B6R0.7 O=C(O)C(Cl)(Cl)Cl 00820 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.7 O=C(O)C(F)(F)F 00289 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.7 O=C(O)C(F)(F)F 02883 [0,2,0,0,0,0|2,0,0]=4 429 B4R1.2 NC1CC1 22602 [1,0,0,1,0,0|1,0,1]=4 430 B6R1.2 CC1=CSC=N1 26939 [0,1,0,1,0,0|1,0,1]=4 431 B6R1.2 CC1=NCCC1 29954 [0,1,0,1,0,0|2,0,0]=4 432 B6R1.2 N=C1CCCS1 02326 [0,1,0,1,0,0|2,0,0]=4 433 B6R1.2 O=C1C=CCN1 18447 [0,1,0,1,0,0|1,0,1]=4 434 B6R1.2 O=C1CCCC1 26774 [0,1,0,1,0,0|1,0,0]=3 435 B6R1.2 O=C1CCCN1 26934 [0,1,0,1,0,0|1,0,0]=3 436 B6R1.2 O=C1CCNC1 31268 [0,1,0,1,0,0|1,0,0]=3 437 B6R1.2 O=C1CCSC1 29785 [0,1,0,1,0,0|0,0,0]=2 438 B6R1.2 O=C1NCCN1 01974 [0,1,0,1,0,0|2,0,0]=4 439 B6R1.2 O=C1NCCO1 31325 [0,1,0,1,0,0|2,0,0]=4