0 B5R0.3 C(=O)(NN)NN A11145 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.3 C(C(=O)CBr)Br H37325 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C(C(=O)CCl)Cl 22302 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C(C(=O)CCl)Cl A14149 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C(C(=O)CF)F H51145 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CC(OC)OC A10939 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CCC(=C)C=O B21839 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CCC(=C)CC L11553 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CCC(=O)C=C L06829 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.3 CCC(=O)CBr L12081 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CCC(=O)CC A15297 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 CCC(=O)OC A14944 [0,0,0,0,0,0|0,0,2]=2 12 B5R0.3 CCC(C)C=C L11525 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CCC(C)C=O A19650 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 CCC(C)OC H53427 [0,0,0,0,0,0|1,0,3]=4 15 B5R0.3 CCC(C=C)O B20155 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.3 CCP(=O)CC H27768 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 CC\C(=N\O)\C L08196 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.3 CC\C(=N\O)\N H50889 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.3 CNC(=N)SC H27439 [0,0,0,0,0,0|2,1,1]=4 20 B5R0.3 CNC(=O)CCl H32362 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.3 CNC(=O)CN H65367 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.3 CNC(=O)NC B21329 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.3 CNC(=S)NN B21138 [0,0,0,0,0,0|3,1,0]=4 24 B5R0.3 COC(=O)C#C A14743 [0,0,0,0,0,0|0,0,2]=2 25 B5R0.3 COC(=O)C=C A13128 [0,0,0,0,0,0|0,0,0]=0 26 B5R0.3 COC(=O)CBr A10605 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.3 COC(=O)CCl A10325 [0,0,0,0,0,0|1,0,1]=2 28 B5R0.3 COC(=O)CN A14083 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.3 COC(=O)CO A17870 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.3 COC(=O)CS L03783 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.3 COC(=O)NN A14548 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.3 COC(=O)OC A13104 [0,0,0,0,0,0|1,0,1]=2 33 B5R0.3 COC(=O)SCl L04350 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.3 COP(O)OC L02670 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.3 CO[SiH](C)OC L16197 [0,0,0,0,0,0|2,1,1]=4 36 B5R0.3 C\C=C(/C)\C=O L08113 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 C#CC(=O)N H52319 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C#CC(=O)O A13245 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.1 C(=C(Cl)Cl)Cl 19401 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C(=C(Cl)Cl)Cl 39744 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C(=C(Cl)Cl)Cl 41894 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 C(=C(Cl)Cl)Cl 41963 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 C(=C(Cl)Cl)Cl 43487 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 C(=C(Cl)Cl)Cl L14474 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 C(=O)(N)NN A11668 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 C(=O)(N)NO A10831 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 C(=O)(SCl)Cl L06432 [1,0,0,0,0,0|2,1,0]=4 48 B4R0.1 C(=O)([O-])O[O-] A16045 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C(=O)C(=O)O A16058 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 C(=O)C(=O)O B25149 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 C(C(=O)Br)Br A19580 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 C(C(=O)Cl)Cl A15846 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 C(C(=O)Cl)I L04428 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 C(C(=O)N)Br A11926 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 C(C(=O)N)Cl A15238 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C(C(=O)N)I A14715 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 C(C(=O)N)N A11128 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 C(C(=O)O)Br A14403 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 C(C(=O)O)Cl 41724 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 C(C(=O)O)Cl A11482 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 C(C(=O)O)I A12410 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C(C(=O)O)N 36435 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 C(C(=O)O)N 43497 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 C(C(=O)O)N A12162 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 C(C(=O)O)N A13816 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 C(C(=O)O)N J60154 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 C(C(=O)O)N J61855 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 C(C(=O)O)N J62407 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 C(C(=O)O)N J62527 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.1 C(C(=O)O)N J64365 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 C(C(=O)O)N J67094 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 C(C(=O)O)N J67147 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 C(C(=O)O)N J67349 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 C(C(=O)O)O A12511 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 C(C(=O)O)O L14980 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 C(C(=O)O)S B20391 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 C(C(=O)[O-])Br L14983 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.1 C(C(=O)[O-])Cl A12379 [1,0,0,0,0,0|1,0,2]=4 79 B4R0.1 C(C(=O)[O-])O 39456 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.1 C(C(=O)[O-])O A12341 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 C(C(=O)[O-])S 45557 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 C(C(=O)[O-])S L14356 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 C=C(CBr)Br A12099 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 C=C(CCl)Cl L08943 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 C=CC(=O)Cl L10363 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 C=CC(=O)N 36545 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.1 C=CC(=O)N A15940 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.1 C=CC(=O)N A17157 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.1 C=CC(=O)N L15075 [1,0,0,0,0,0|1,0,0]=2 90 B4R0.1 C=CC(=O)O 43359 [1,0,0,0,0,0|0,0,0]=1 91 B4R0.1 C=CC(=O)O 45779 [1,0,0,0,0,0|0,0,0]=1 92 B4R0.1 C=CC(=O)O L04280 [1,0,0,0,0,0|0,0,0]=1 93 B4R0.1 C=CC(=O)[O-] 38591 [1,0,0,0,0,0|0,0,1]=2 94 B4R0.1 C=CC(=O)[O-] 41779 [1,0,0,0,0,0|0,0,1]=2 95 B4R0.1 C=CC(=O)[O-] 41780 [1,0,0,0,0,0|0,0,1]=2 96 B4R0.1 C=CC(=O)[O-] 42001 [1,0,0,0,0,0|0,0,1]=2 97 B4R0.1 C=CC(=O)[O-] 42002 [1,0,0,0,0,0|0,0,1]=2 98 B4R0.1 C=CC(=O)[O-] 42003 [1,0,0,0,0,0|0,0,1]=2 99 B4R0.1 C=CC(=O)[O-] L10079 [1,0,0,0,0,0|0,0,1]=2 100 B4R0.1 CC(=C)C#C L06111 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.1 CC(=C)C=C L14619 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CC(=C)C=O 43124 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 CC(=C)CCl B22674 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 CC(=C)CO H60502 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 CC(=C)OC B24083 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.1 CC(=C=C)C L10159 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CC(=NO)C A10802 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 CC(=O)C#C L05527 [1,0,0,0,0,0|0,0,2]=3 109 B4R0.1 CC(=O)C#N H66636 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 CC(=O)C=C A11910 [1,0,0,0,0,0|0,0,0]=1 111 B4R0.1 CC(=O)C=O B24664 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.1 CC(=O)CCl A11922 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 CC(=O)CO L15008 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 CC(=O)NBr L02953 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 CC(=O)NC A17928 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 CC(=O)NN A10969 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 CC(=O)NO L01569 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 CC(=O)OC L14475 [1,0,0,0,0,0|0,0,1]=2 119 B4R0.1 CC(=O)SC A12400 [1,0,0,0,0,0|0,1,1]=3 120 B4R0.1 CC(C)C=O A12106 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CC(C=C)O L14787 [1,0,0,0,0,0|0,0,2]=3 122 B4R0.1 CC=C(C)C 31853 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 CCC(=C)Br B20067 [1,0,0,0,0,0|2,0,0]=3 124 B4R0.1 CCC(=C)C H27230 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 CCC(=O)C 22924 [1,0,0,0,0,0|0,0,2]=3 126 B4R0.1 CCC(=O)C 31069 [1,0,0,0,0,0|0,0,2]=3 127 B4R0.1 CCC(=O)C 39119 [1,0,0,0,0,0|0,0,2]=3 128 B4R0.1 CCC(=O)C L13185 [1,0,0,0,0,0|0,0,2]=3 129 B4R0.1 CCC(=O)Cl A10940 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 CCC(=O)N A10521 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 CCC(=O)O L04210 [1,0,0,0,0,0|0,0,2]=3 132 B4R0.1 CCC(=O)[O-] 18865 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.1 CCC(=O)[O-] A14994 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.1 CCC(=O)[O-] A17440 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 CCC(=O)[O-] B23636 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 CC[N+](=O)[O-] A10855 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 CN(C)C=O 13808 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.1 CN(C)C=O 22915 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.1 CN(C)C=O 39117 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.1 CN(C)C=O 41859 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.1 CN(C)C=O 43465 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 CN(C)C=O 43997 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.1 CN(C)C=O A13547 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.1 CN(C)C=S B24529 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.1 CNC(=O)N B24772 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.1 CNC(=S)N A10437 [1,0,0,0,0,0|2,1,0]=4 147 B4R0.1 COC(=N)N A14773 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.1 COC(=O)N A16523 [1,0,0,0,0,0|1,0,0]=2 149 B4R0.1 COP(Cl)Cl L04588 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.1 CSC(=[NH2+])N A11044 [1,0,0,0,0,0|2,1,0]=4 151 B4R0.1 C[N+](=CCl)C B24172 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.1 C\C=C(\C)/Br A18058 [1,0,0,0,0,0|1,0,1]=3 153 B4R0.2 C(\C=C\Cl)Cl L10332 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.2 C=CCC#N 44775 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.2 C=CCCBr A10977 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 C=CCCN L20157 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 C=CCCO L00767 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.2 C=CCC[Zn+] H58171 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 C=C[Sn+2]C=C 39613 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 CCCC=C A16723 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.2 CCCC=O A18243 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 CCOC=C A15691 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.2 CCOC=O A11113 [1,0,0,0,0,0|3,0,0]=4 164 B4R0.2 CC\C=C\C A17736 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.2 CC\C=C\C L09421 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.2 CNCC=C H27551 [1,0,0,0,0,0|1,0,1]=3 167 B4R0.2 COCC=C 18652 [1,0,0,0,0,0|0,0,1]=2 168 B4R0.2 COCCBr A15370 [1,0,0,0,0,0|1,0,2]=4 169 B4R0.2 COCCCl B24081 [1,0,0,0,0,0|1,0,2]=4 170 B4R0.2 COCCN B22924 [1,0,0,0,0,0|1,0,2]=4 171 B4R0.2 COCCO 31733 [1,0,0,0,0,0|1,0,2]=4 172 B4R0.2 COCCO 32444 [1,0,0,0,0,0|1,0,2]=4 173 B4R0.2 COCCO A17459 [1,0,0,0,0,0|1,0,2]=4 174 B4R0.2 COCC[O-] 40471 [1,0,0,0,0,0|1,0,2]=4 175 B4R0.2 COCC[O-] 41237 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.2 COCC[O-] 41256 [1,0,0,0,0,0|1,0,2]=4 177 B4R0.2 COCC[O-] 41793 [1,0,0,0,0,0|1,0,2]=4 178 B4R0.2 COCC[O-] 42377 [1,0,0,0,0,0|1,0,2]=4 179 B4R0.2 COCC[O-] 42378 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 COCC[O-] 42522 [1,0,0,0,0,0|1,0,2]=4 181 B4R0.2 COCC[O-] 42819 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.2 COCC[O-] 43903 [1,0,0,0,0,0|1,0,2]=4 183 B4R0.2 COCC[O-] A13292 [1,0,0,0,0,0|1,0,2]=4 184 B4R0.2 COCOC A12055 [1,0,0,0,0,0|1,0,2]=4 185 B4R0.2 CSCC=C B22514 [1,0,0,0,0,0|0,1,1]=3 186 B4R0.2 C\C=C\C=O L03362 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.2 C\C=C\CO A10681 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 C\C=C\C[Mg+] H51171 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.1 C(C(=O)NCO)Cl A12247 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.1 C=COC(=O)CCl L09446 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.1 CCC(=O)CC#N H50789 [0,1,0,0,0,0|1,0,2]=4 192 B6R0.1 CCC(=O)OC=C L12931 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.1 CCC(=O)OCC 15498 [0,1,0,0,0,0|0,0,2]=3 194 B6R0.1 CCC(=O)OCC A16650 [0,1,0,0,0,0|0,0,2]=3 195 B6R0.1 CCC(=O)SCC B24918 [0,1,0,0,0,0|0,1,2]=4 196 B6R0.1 CCC(=O)\C=C\C H27445 [0,1,0,0,0,0|1,0,0]=2 197 B6R0.1 CCCC(=O)C=C L07660 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.1 CCCC(=O)CC B20791 [0,1,0,0,0,0|1,0,2]=4 199 B6R0.1 CCCC(=O)NN L01971 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.1 CCCC(=O)OC L04250 [0,1,0,0,0,0|0,0,2]=3 201 B6R0.1 CCCC(=O)SC B22144 [0,1,0,0,0,0|0,1,2]=4 202 B6R0.1 CCCC(C=C)O A19672 [0,1,0,0,0,0|1,0,2]=4 203 B6R0.1 CCOC(=O)C#C A15068 [0,1,0,0,0,0|0,0,2]=3 204 B6R0.1 CCOC(=O)C#N L15777 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.1 CCOC(=O)C=C A15493 [0,1,0,0,0,0|0,0,0]=1 206 B6R0.1 CCOC(=O)C=O L19207 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.1 CCOC(=O)CBr A10448 [0,1,0,0,0,0|1,0,1]=3 208 B6R0.1 CCOC(=O)CCl A15554 [0,1,0,0,0,0|1,0,1]=3 209 B6R0.1 CCOC(=O)CF H61340 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.1 CCOC(=O)CI B24177 [0,1,0,0,0,0|1,0,1]=3 211 B6R0.1 CCOC(=O)CN A10315 [0,1,0,0,0,0|1,0,1]=3 212 B6R0.1 CCOC(=O)CO 41475 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.1 CCOC(=O)CS A14321 [0,1,0,0,0,0|1,0,1]=3 214 B6R0.1 CCOC(=O)NN A13860 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.1 CCO\C(=N\O)\C A11006 [0,1,0,0,0,0|3,0,0]=4 216 B6R0.1 CC\C=C(/C)\C=O A15729 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.1 CNCC(=O)OC L08572 [0,1,0,0,0,0|0,0,2]=3 218 B6R0.1 COC(=O)CC#N A15555 [0,1,0,0,0,0|0,0,2]=3 219 B6R0.1 COC(=O)CCBr L14127 [0,1,0,0,0,0|0,0,2]=3 220 B6R0.1 COC(=O)CCN H27483 [0,1,0,0,0,0|0,0,2]=3 221 B6R0.1 COC(=O)CCS B20718 [0,1,0,0,0,0|0,0,2]=3 222 B6R0.1 COC(=O)C[N+]#[C-] H31069 [0,1,0,0,0,0|0,0,2]=3 223 B6R0.1 COCC(=O)NN H65573 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.1 COCC(=O)OC B22528 [0,1,0,0,0,0|0,0,2]=3 225 B6R0.1 C\C=C\C(=O)OC A15363 [0,1,0,0,0,0|0,0,0]=1 226 B6R0.3 C(C(=O)C(=O)O)Br L00720 [0,1,0,0,0,0|3,0,0]=4 227 B6R0.3 CC(=C)C(=O)OC A13030 [0,1,0,0,0,0|0,0,0]=1 228 B6R0.3 CC(=O)C(=O)OC A13966 [0,1,0,0,0,0|0,0,1]=2 229 B6R0.3 CC(=O)N(C)OC H65226 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 CC(C(=O)OC)Br A19558 [0,1,0,0,0,0|0,0,2]=3 231 B6R0.3 CC(C(=O)OC)Cl A18541 [0,1,0,0,0,0|0,0,2]=3 232 B6R0.3 CC(C(=O)OC)N A12599 [0,1,0,0,0,0|0,0,2]=3 233 B6R0.3 CC(C(=O)OC)O H60455 [0,1,0,0,0,0|0,0,2]=3 234 B6R0.3 CC(C)C(=N)OC H63386 [0,1,0,0,0,0|1,0,2]=4 235 B6R0.3 CC(C)C(=O)OC A14070 [0,1,0,0,0,0|0,0,2]=3 236 B6R0.3 CCC(=O)C(=O)C A13116 [0,1,0,0,0,0|1,0,1]=3 237 B6R0.3 CCC(=O)N(C)C H64850 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.3 CN(C)C(=O)C=C 42405 [0,1,0,0,0,0|1,0,0]=2 239 B6R0.3 CN(C)C(=O)CCl H50229 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.3 CN(C)C(=O)CN H50293 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.3 CNC(=O)N(C)C 16475 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.3 COC(=O)C(=C)F H61343 [0,1,0,0,0,0|0,0,0]=1 243 B6R0.3 COC(=O)C(=O)Cl L13258 [0,1,0,0,0,0|1,0,0]=2 244 B6R0.3 COC(=O)C(Cl)Cl B24399 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.3 COC(=O)C(F)F B22197 [0,1,0,0,0,0|1,0,1]=3 246 B6R0.3 C[C@@H](C(=O)OC)N A10178 [0,1,0,0,0,0|0,0,2]=3 247 B6R0.3 C[C@@H](C(=O)OC)O B24468 [0,1,0,0,0,0|0,0,2]=3 248 B6R0.3 C[C@H](C(=O)OC)N H62472 [0,1,0,0,0,0|0,0,2]=3 249 B6R0.3 C\C=C(/C)\C(=O)C L13548 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.3 C\C=C(/C)\C(=O)O A13905 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.8 C=CS(=O)(=O)C=C L12827 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.8 CCC(C)(C=C)O B20893 [0,1,0,0,0,0|1,0,2]=4 253 B6R0.8 COP(=O)(C)OC A14268 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.9 COC(C=O)OC L18490 [0,1,0,0,0,0|1,0,2]=4 255 B6R1.2 C1C=CC(=C1)Br H26076 [0,0,0,1,0,0|2,0,0]=3 256 B6R1.2 C1C=CC(=O)O1 L13142 [0,0,0,1,0,0|0,0,0]=1 257 B6R1.2 C1C=CC=C1Br L17045 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.2 C1C=CC=C1[Co] 23136 [0,0,0,1,0,0|2,0,1]=4 259 B6R1.2 C1C=CC=C1[Mn] 38606 [0,0,0,1,0,0|2,0,1]=4 260 B6R1.2 C1C=CC=C1[Mo+4] 40522 [0,0,0,1,0,0|2,0,1]=4 261 B6R1.2 C1C=CC=C1[Nb+4] 39246 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 C1C=CC=C1[Re] 33655 [0,0,0,1,0,0|2,0,1]=4 263 B6R1.2 C1C=CC=C1[Ti+3] 77134 [0,0,0,1,0,0|2,0,1]=4 264 B6R1.2 C1C=CC=C1[Tl] 13958 [0,0,0,1,0,0|2,0,1]=4 265 B6R1.2 C1C=CC=C1[V] 81123 [0,0,0,1,0,0|2,0,1]=4 266 B6R1.2 C1C=CC=C1[Zr+3] 20617 [0,0,0,1,0,0|2,0,1]=4 267 B6R1.2 C1CC(=O)C=C1 B23408 [0,0,0,1,0,0|1,0,0]=2 268 B6R1.2 C1CC(=O)NC1 A15332 [0,0,0,1,0,0|1,0,2]=4 269 B6R1.2 C1CC(=O)NC1 L00177 [0,0,0,1,0,0|1,0,2]=4 270 B6R1.2 C1CC(=O)OC1 A16314 [0,0,0,1,0,0|0,0,2]=3 271 B6R1.2 C1CCC(=O)C1 A14222 [0,0,0,1,0,0|1,0,2]=4 272 B6R1.2 C1CNC(=O)N1 A17666 [0,0,0,1,0,0|2,0,1]=4 273 B6R1.2 C1COC(=O)N1 A14543 [0,0,0,1,0,0|1,0,1]=3 274 B6R1.2 C1COC(=O)O1 A15735 [0,0,0,1,0,0|1,0,1]=3 275 B6R1.2 C1COCC1=O H66940 [0,0,0,1,0,0|2,0,1]=4 276 B6R1.2 C1CSCC1=O A11002 [0,0,0,1,0,0|2,0,1]=4 277 B6R1.2 CC1=CC=CC1 H27241 [0,0,0,1,0,0|2,0,1]=4 278 B6R1.2 CC1=CCC=C1 H27464 [0,0,0,1,0,0|2,0,0]=3 279 B6R1.2 CC1=CCCC1 A18816 [0,0,0,1,0,0|2,0,1]=4 280 B6R1.2 CC1=NCCO1 B24612 [0,0,0,1,0,0|2,0,1]=4 281 B6R1.2 Cc1cc[nH]n1 L01618 [0,0,0,1,0,0|3,0,0]=4 282 B6R1.2 Cc1ccco1 B23692 [0,0,0,1,0,0|1,0,1]=3 283 B6R1.2 Cc1cccs1 A12736 [0,0,0,1,0,0|1,1,1]=4 284 B6R1.2 Cc1ccsc1 A13394 [0,0,0,1,0,0|3,0,0]=4 285 B6R1.2 c1c[nH]nc1I H36465 [0,0,0,1,0,0|3,0,0]=4 286 B6R1.2 c1c[nH]nc1N A14458 [0,0,0,1,0,0|3,0,0]=4 287 B6R1.2 c1cc(oc1)Br H63218 [0,0,0,1,0,0|1,0,1]=3 288 B6R1.2 c1cc(sc1)Br A11959 [0,0,0,1,0,0|1,1,1]=4 289 B6R1.2 c1cc(sc1)Cl A10390 [0,0,0,1,0,0|1,1,1]=4 290 B6R1.2 c1cc(sc1)I A12898 [0,0,0,1,0,0|1,1,1]=4 291 B6R1.2 c1cc(sc1)S B22642 [0,0,0,1,0,0|0,2,1]=4 292 B6R1.2 c1cc(sc1)[Zn+] H58397 [0,0,0,1,0,0|1,1,1]=4 293 B6R1.2 c1coc(=O)o1 41400 [0,0,0,1,0,0|1,0,1]=3 294 B6R1.2 c1coc(n1)N H34360 [0,0,0,1,0,0|2,0,1]=4 295 B6R1.2 c1cocc1Br B23543 [0,0,0,1,0,0|3,0,0]=4 296 B6R1.2 c1cscc1Br A14022 [0,0,0,1,0,0|3,0,0]=4 297 B6R1.2 c1cscc1Cl B22669 [0,0,0,1,0,0|3,0,0]=4 298 B6R1.2 c1cscc1I L17581 [0,0,0,1,0,0|3,0,0]=4 299 B6R1.7 CC1(CO1)C=C L19768 [0,0,0,1,0,0|1,0,1]=3 300 B3R0.1 C(=C\Cl)/Cl L13994 [2,0,0,0,0,0|2,0,0]=4 301 B3R0.1 C(=O)C=O A16144 [2,0,0,0,0,0|1,0,0]=3 302 B3R0.1 C(=O)NN A14901 [2,0,0,0,0,0|2,0,0]=4 303 B3R0.1 C(C=O)Cl A11037 [2,0,0,0,0,0|1,0,1]=4 304 B3R0.1 C(C=O)Cl L12701 [2,0,0,0,0,0|1,0,1]=4 305 B3R0.1 C=CC#N A13058 [2,0,0,0,0,0|1,0,1]=4 306 B3R0.1 C=CC=O 36520 [2,0,0,0,0,0|0,0,0]=2 307 B3R0.1 C=CCBr A11766 [2,0,0,0,0,0|1,0,1]=4 308 B3R0.1 C=CCCl A14330 [2,0,0,0,0,0|1,0,1]=4 309 B3R0.1 C=CCI A11822 [2,0,0,0,0,0|1,0,1]=4 310 B3R0.1 C=CCN L07162 [2,0,0,0,0,0|1,0,1]=4 311 B3R0.1 C=CCO A15026 [2,0,0,0,0,0|0,0,1]=3 312 B3R0.1 C=CCS A13616 [2,0,0,0,0,0|0,1,1]=4 313 B3R0.1 C=CC[Mg+] H51170 [2,0,0,0,0,0|1,0,1]=4 314 B3R0.1 C=CC[Zn+] H58012 [2,0,0,0,0,0|1,0,1]=4 315 B3R0.1 CCC=O A16146 [2,0,0,0,0,0|1,0,0]=3 316 B3R0.1 CN=C=O L19476 [2,0,0,0,0,0|1,0,1]=4 317 B3R0.1 CNC=O L03908 [2,0,0,0,0,0|1,0,0]=3 318 B3R0.1 CNOC A17469 [2,0,0,0,0,0|1,0,1]=4 319 B3R0.1 COC=O A15850 [2,0,0,0,0,0|0,0,0]=2 320 B3R0.1 COCBr L09837 [2,0,0,0,0,0|1,0,1]=4 321 B3R0.1 C\C=N\O A10640 [2,0,0,0,0,0|1,0,1]=4 322 B3R0.2 C(=O)(N)N 36428 [2,0,0,0,0,0|2,0,0]=4 323 B3R0.2 C(=O)(N)N 36429 [2,0,0,0,0,0|2,0,0]=4 324 B3R0.2 C(=O)(N)N A12360 [2,0,0,0,0,0|2,0,0]=4 325 B3R0.2 C(=O)(O)[O-] 44042 [2,0,0,0,0,0|1,0,0]=3 326 B3R0.2 C(=O)(O)[O-] 45082 [2,0,0,0,0,0|1,0,0]=3 327 B3R0.2 C(=O)(O)[O-] A12429 [2,0,0,0,0,0|1,0,0]=3 328 B3R0.2 C(=O)(O)[O-] A12483 [2,0,0,0,0,0|1,0,0]=3 329 B3R0.2 C(=O)(O)[O-] A14590 [2,0,0,0,0,0|1,0,0]=3 330 B3R0.2 C(=O)(O)[O-] A17005 [2,0,0,0,0,0|1,0,0]=3 331 B3R0.2 C(=O)(O)[O-] A18566 [2,0,0,0,0,0|1,0,0]=3 332 B3R0.2 C(=O)([O-])[O-] 11420 [2,0,0,0,0,0|1,0,1]=4 333 B3R0.2 C(=O)([O-])[O-] 18202 [2,0,0,0,0,0|1,0,1]=4 334 B3R0.2 C(=O)([O-])[O-] A12240 [2,0,0,0,0,0|1,0,1]=4 335 B3R0.2 C(=O)([O-])[O-] A12994 [2,0,0,0,0,0|1,0,1]=4 336 B3R0.2 C(=O)([O-])[O-] A13195 [2,0,0,0,0,0|1,0,1]=4 337 B3R0.2 C(=O)([O-])[O-] A13955 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.2 C(=O)([O-])[O-] A15812 [2,0,0,0,0,0|1,0,1]=4 339 B3R0.2 C(=O)([O-])[O-] A16625 [2,0,0,0,0,0|1,0,1]=4 340 B3R0.2 C(=O)([O-])[O-] A17209 [2,0,0,0,0,0|1,0,1]=4 341 B3R0.2 C(=O)([O-])[O-] A17484 [2,0,0,0,0,0|1,0,1]=4 342 B3R0.2 C(=O)([O-])[O-] A18070 [2,0,0,0,0,0|1,0,1]=4 343 B3R0.2 C(=O)([O-])[O-] L13098 [2,0,0,0,0,0|1,0,1]=4 344 B3R0.2 C(=O)([O-])[SH2+] A18912 [2,0,0,0,0,0|1,0,1]=4 345 B3R0.2 C=C(Cl)Cl L14308 [2,0,0,0,0,0|2,0,0]=4 346 B3R0.2 CC(=C)Br L14229 [2,0,0,0,0,0|1,0,0]=3 347 B3R0.2 CC(=C)Cl L12374 [2,0,0,0,0,0|1,0,0]=3 348 B3R0.2 CC(=N)N A16091 [2,0,0,0,0,0|2,0,0]=4 349 B3R0.2 CC(=O)Br A12485 [2,0,0,0,0,0|1,0,0]=3 350 B3R0.2 CC(=O)C 19392 [2,0,0,0,0,0|0,0,1]=3 351 B3R0.2 CC(=O)C 22928 [2,0,0,0,0,0|0,0,1]=3 352 B3R0.2 CC(=O)C 30698 [2,0,0,0,0,0|0,0,1]=3 353 B3R0.2 CC(=O)C 32451 [2,0,0,0,0,0|0,0,1]=3 354 B3R0.2 CC(=O)C 43053 [2,0,0,0,0,0|0,0,1]=3 355 B3R0.2 CC(=O)C L10407 [2,0,0,0,0,0|0,0,1]=3 356 B3R0.2 CC(=O)Cl 43262 [2,0,0,0,0,0|1,0,0]=3 357 B3R0.2 CC(=O)Cl H32616 [2,0,0,0,0,0|1,0,0]=3 358 B3R0.2 CC(=O)Cl L14013 [2,0,0,0,0,0|1,0,0]=3 359 B3R0.2 CC(=O)N A12589 [2,0,0,0,0,0|1,0,0]=3 360 B3R0.2 CC(=O)O 10994 [2,0,0,0,0,0|0,0,1]=3 361 B3R0.2 CC(=O)O 33252 [2,0,0,0,0,0|0,0,1]=3 362 B3R0.2 CC(=O)O 35566 [2,0,0,0,0,0|0,0,1]=3 363 B3R0.2 CC(=O)O 35567 [2,0,0,0,0,0|0,0,1]=3 364 B3R0.2 CC(=O)O 35569 [2,0,0,0,0,0|0,0,1]=3 365 B3R0.2 CC(=O)O 35572 [2,0,0,0,0,0|0,0,1]=3 366 B3R0.2 CC(=O)O 36289 [2,0,0,0,0,0|0,0,1]=3 367 B3R0.2 CC(=O)O 39745 [2,0,0,0,0,0|0,0,1]=3 368 B3R0.2 CC(=O)O 88556 [2,0,0,0,0,0|0,0,1]=3 369 B3R0.2 CC(=O)O A11158 [2,0,0,0,0,0|0,0,1]=3 370 B3R0.2 CC(=O)[O-] 10516 [2,0,0,0,0,0|1,0,0]=3 371 B3R0.2 CC(=O)[O-] 11660 [2,0,0,0,0,0|1,0,0]=3 372 B3R0.2 CC(=O)[O-] 12223 [2,0,0,0,0,0|1,0,0]=3 373 B3R0.2 CC(=O)[O-] 12225 [2,0,0,0,0,0|1,0,0]=3 374 B3R0.2 CC(=O)[O-] 12273 [2,0,0,0,0,0|1,0,0]=3 375 B3R0.2 CC(=O)[O-] 12351 [2,0,0,0,0,0|1,0,0]=3 376 B3R0.2 CC(=O)[O-] 12890 [2,0,0,0,0,0|1,0,0]=3 377 B3R0.2 CC(=O)[O-] 14703 [2,0,0,0,0,0|1,0,0]=3 378 B3R0.2 CC(=O)[O-] 17574 [2,0,0,0,0,0|1,0,0]=3 379 B3R0.2 CC(=O)[O-] 18239 [2,0,0,0,0,0|1,0,0]=3 380 B3R0.2 CC(=O)[O-] 19417 [2,0,0,0,0,0|1,0,0]=3 381 B3R0.2 CC(=O)[O-] 22361 [2,0,0,0,0,0|1,0,0]=3 382 B3R0.2 CC(=O)[O-] 30519 [2,0,0,0,0,0|1,0,0]=3 383 B3R0.2 CC(=O)[O-] 39610 [2,0,0,0,0,0|1,0,0]=3 384 B3R0.2 CC(=O)[O-] 39742 [2,0,0,0,0,0|1,0,0]=3 385 B3R0.2 CC(=O)[O-] 41685 [2,0,0,0,0,0|1,0,0]=3 386 B3R0.2 CC(=O)[O-] 43004 [2,0,0,0,0,0|1,0,0]=3 387 B3R0.2 CC(=O)[O-] 43086 [2,0,0,0,0,0|1,0,0]=3 388 B3R0.2 CC(=O)[O-] 44056 [2,0,0,0,0,0|1,0,0]=3 389 B3R0.2 CC(=O)[O-] 44344 [2,0,0,0,0,0|1,0,0]=3 390 B3R0.2 CC(=O)[O-] 44345 [2,0,0,0,0,0|1,0,0]=3 391 B3R0.2 CC(=O)[O-] 44433 [2,0,0,0,0,0|1,0,0]=3 392 B3R0.2 CC(=O)[O-] 44434 [2,0,0,0,0,0|1,0,0]=3 393 B3R0.2 CC(=O)[O-] 47050 [2,0,0,0,0,0|1,0,0]=3 394 B3R0.2 CC(=O)[O-] 87657 [2,0,0,0,0,0|1,0,0]=3 395 B3R0.2 CC(=O)[O-] A10316 [2,0,0,0,0,0|1,0,0]=3 396 B3R0.2 CC(=O)[O-] A11620 [2,0,0,0,0,0|1,0,0]=3 397 B3R0.2 CC(=O)[O-] A11746 [2,0,0,0,0,0|1,0,0]=3 398 B3R0.2 CC(=O)[O-] A12478 [2,0,0,0,0,0|1,0,0]=3 399 B3R0.2 CC(=O)[O-] A12909 [2,0,0,0,0,0|1,0,0]=3 400 B3R0.2 CC(=O)[O-] A13026 [2,0,0,0,0,0|1,0,0]=3 401 B3R0.2 CC(=O)[O-] A13184 [2,0,0,0,0,0|1,0,0]=3 402 B3R0.2 CC(=O)[O-] A14947 [2,0,0,0,0,0|1,0,0]=3 403 B3R0.2 CC(=O)[O-] A15551 [2,0,0,0,0,0|1,0,0]=3 404 B3R0.2 CC(=O)[O-] A16149 [2,0,0,0,0,0|1,0,0]=3 405 B3R0.2 CC(=O)[O-] A16203 [2,0,0,0,0,0|1,0,0]=3 406 B3R0.2 CC(=O)[O-] A16230 [2,0,0,0,0,0|1,0,0]=3 407 B3R0.2 CC(=O)[O-] A16321 [2,0,0,0,0,0|1,0,0]=3 408 B3R0.2 CC(=O)[O-] A16343 [2,0,0,0,0,0|1,0,0]=3 409 B3R0.2 CC(=O)[O-] A16763 [2,0,0,0,0,0|1,0,0]=3 410 B3R0.2 CC(=O)[O-] A17388 [2,0,0,0,0,0|1,0,0]=3 411 B3R0.2 CC(=O)[O-] A17414 [2,0,0,0,0,0|1,0,0]=3 412 B3R0.2 CC(=O)[O-] A17921 [2,0,0,0,0,0|1,0,0]=3 413 B3R0.2 CC(=O)[O-] A18069 [2,0,0,0,0,0|1,0,0]=3 414 B3R0.2 CC(=O)[O-] A18271 [2,0,0,0,0,0|1,0,0]=3 415 B3R0.2 CC(=O)[O-] A18374 [2,0,0,0,0,0|1,0,0]=3 416 B3R0.2 CC(=O)[O-] B23218 [2,0,0,0,0,0|1,0,0]=3 417 B3R0.2 CC(=O)[O-] B23615 [2,0,0,0,0,0|1,0,0]=3 418 B3R0.2 CC(=O)[O-] B23708 [2,0,0,0,0,0|1,0,0]=3 419 B3R0.2 CC(=O)[O-] H33734 [2,0,0,0,0,0|1,0,0]=3 420 B3R0.2 CC(=O)[O-] H34028 [2,0,0,0,0,0|1,0,0]=3 421 B3R0.2 CC(=O)[O-] L15152 [2,0,0,0,0,0|1,0,0]=3 422 B3R0.2 CC(=S)N 30638 [2,0,0,0,0,0|1,1,0]=4 423 B3R0.2 CC(=S)N A12926 [2,0,0,0,0,0|1,1,0]=4 424 B3R0.2 CC(=S)O L03305 [2,0,0,0,0,0|0,1,1]=4 425 B3R0.2 CC(=S)[O-] L05405 [2,0,0,0,0,0|1,0,1]=4 426 B3R0.2 CS(=O)C 22914 [2,0,0,0,0,0|1,0,1]=4 427 B3R0.2 CS(=O)C 32434 [2,0,0,0,0,0|1,0,1]=4 428 B3R0.2 CS(=O)C 36480 [2,0,0,0,0,0|1,0,1]=4 429 B3R0.2 CS(=O)C 42780 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.2 CS(=O)C 43998 [2,0,0,0,0,0|1,0,1]=4 431 B3R0.2 CS(=O)C A13280 [2,0,0,0,0,0|1,0,1]=4 432 B3R0.2 CS(=O)[O-] L11360 [2,0,0,0,0,0|2,0,0]=4 433 B3R0.2 C[N+](=C)C A15146 [2,0,0,0,0,0|2,0,0]=4 434 B3R0.2 C[N+](=O)[O-] A11806 [2,0,0,0,0,0|2,0,0]=4 435 B3R0.2 OI(=O)=O A11925 [2,0,0,0,0,0|2,0,0]=4 436 B3R0.2 OP(=O)=O B20932 [2,0,0,0,0,0|2,0,0]=4 437 B3R0.2 OS(=O)[O-] A16194 [2,0,0,0,0,0|2,0,0]=4 438 B3R0.2 O[Se](=O)[O-] A12173 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.1 C(=C/Cl)/C(=O)O A14798 [1,1,0,0,0,0|0,0,0]=2 440 B5R0.1 C(=C\Cl)/C(=O)O A15527 [1,1,0,0,0,0|0,0,0]=2 441 B5R0.1 C(C#N)C(=O)O A11045 [1,1,0,0,0,0|0,0,2]=4 442 B5R0.1 C(CBr)C(=O)Cl A10846 [1,1,0,0,0,0|2,0,0]=4 443 B5R0.1 C(CBr)C(=O)O A11573 [1,1,0,0,0,0|0,0,2]=4 444 B5R0.1 C(CCl)C(=O)Cl B25698 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.1 C(CCl)C(=O)O B21744 [1,1,0,0,0,0|0,0,2]=4 446 B5R0.1 C(CI)C(=O)O L02655 [1,1,0,0,0,0|0,0,2]=4 447 B5R0.1 C(CN)C(=O)N H65365 [1,1,0,0,0,0|2,0,0]=4 448 B5R0.1 C(CN)C(=O)O A16665 [1,1,0,0,0,0|0,0,2]=4 449 B5R0.1 C(CS)C(=O)O A13261 [1,1,0,0,0,0|0,0,2]=4 450 B5R0.1 C(OC(=O)Cl)Cl L09527 [1,1,0,0,0,0|1,0,0]=3 451 B5R0.1 C=C(CCO)Br H34119 [1,1,0,0,0,0|2,0,0]=4 452 B5R0.1 C=CCC(=O)O L07557 [1,1,0,0,0,0|0,0,0]=2 453 B5R0.1 CC#CC(=O)O A15542 [1,1,0,0,0,0|0,0,2]=4 454 B5R0.1 CC(=C)CCO B23398 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.1 CC(=CC=O)C B22226 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.1 CC(=CCBr)C A13388 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.1 CC(=CCCl)C A16545 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.1 CC(=CCO)C A16089 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.1 CC(=CCO)C H36436 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.1 CC(=O)CC#N H64536 [1,1,0,0,0,0|0,0,2]=4 461 B5R0.1 CC(=O)CCO L11456 [1,1,0,0,0,0|0,0,2]=4 462 B5R0.1 CC(=O)CSC B24149 [1,1,0,0,0,0|0,0,2]=4 463 B5R0.1 CC(=O)NCO A13820 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.1 CC(=O)OC=C A16247 [1,1,0,0,0,0|0,0,0]=2 465 B5R0.1 CC(=O)OCBr H56755 [1,1,0,0,0,0|0,0,1]=3 466 B5R0.1 CC(C)CC=C 33029 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.1 CC(C)CC=C L03372 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.1 CC(CC=C)O B20208 [1,1,0,0,0,0|0,0,2]=4 469 B5R0.1 CCCC(=C)C H53373 [1,1,0,0,0,0|2,0,0]=4 470 B5R0.1 CCCC(=O)C L13262 [1,1,0,0,0,0|0,0,2]=4 471 B5R0.1 CCCC(=O)Cl A17575 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.1 CCCC(=O)N A12494 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.1 CCCC(=O)O L13189 [1,1,0,0,0,0|0,0,2]=4 474 B5R0.1 CCCC(=O)[O-] A11079 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.1 CCNC(=O)C L10300 [1,1,0,0,0,0|0,0,2]=4 476 B5R0.1 CCNC(=O)N B24040 [1,1,0,0,0,0|2,0,0]=4 477 B5R0.1 CCOC(=N)C A18618 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.1 CCOC(=O)C 22912 [1,1,0,0,0,0|0,0,1]=3 479 B5R0.1 CCOC(=O)C 31344 [1,1,0,0,0,0|0,0,1]=3 480 B5R0.1 CCOC(=O)C 39177 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.1 CCOC(=O)C 40977 [1,1,0,0,0,0|0,0,1]=3 482 B5R0.1 CCOC(=O)C L10925 [1,1,0,0,0,0|0,0,1]=3 483 B5R0.1 CCOC(=O)Cl L06311 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.1 CCOC(=O)N 44804 [1,1,0,0,0,0|1,0,0]=3 485 B5R0.1 CCOC(=S)[S-] A11450 [1,1,0,0,0,0|1,1,0]=4 486 B5R0.1 CCSC(=O)C A10680 [1,1,0,0,0,0|0,0,2]=4 487 B5R0.1 CNCC(=O)N H65993 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.1 CNCC(=O)O A14594 [1,1,0,0,0,0|0,0,2]=4 489 B5R0.1 CNCC(=O)O B25536 [1,1,0,0,0,0|0,0,2]=4 490 B5R0.1 COCC(=O)Cl L03210 [1,1,0,0,0,0|1,0,0]=3 491 B5R0.1 COCC(=O)O B22917 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.1 CSCC(=O)O B22531 [1,1,0,0,0,0|0,0,2]=4 493 B5R0.1 C[C@@H](CC=C)O B25728 [1,1,0,0,0,0|0,0,2]=4 494 B5R0.1 C[C@H](CC=C)O B25659 [1,1,0,0,0,0|0,0,2]=4 495 B5R0.1 C\C(=C\C#N)\N L05316 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.1 C\C(=C\CCl)\Cl L20334 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.1 C\C=C\C(=O)C L13031 [1,1,0,0,0,0|0,0,0]=2 498 B5R0.1 C\C=C\C(=O)Cl A13710 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.1 C\C=C\C(=O)O A15765 [1,1,0,0,0,0|0,0,0]=2 500 B5R0.4 C=CS(=O)(=O)[O-] L15356 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.4 CC(C)(C)C=C L08693 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.4 CC(C)(C=C)O B20790 [1,1,0,0,0,0|0,0,2]=4 503 B5R0.4 COS(=O)(=O)C H55120 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.4 CS(=O)(=O)C=C L01519 [1,1,0,0,0,0|1,0,0]=3 505 B5R0.4 C[Si](C)(C)C=C L02498 [1,1,0,0,0,0|1,1,0]=4 506 B5R0.4 C[Si](C)(C)C=C L16989 [1,1,0,0,0,0|1,1,0]=4 507 B5R0.4 C[Si](C)(C=C)Cl L16198 [1,1,0,0,0,0|1,1,0]=4 508 B5R0.4 C[Si](C=C)(Cl)Cl B23119 [1,1,0,0,0,0|1,1,0]=4 509 B5R0.5 C(=N)(N)S(=O)O A11885 [1,1,0,0,0,0|2,0,0]=4 510 B5R0.5 C(=O)(C(=O)Cl)Cl A18012 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.5 C(=O)(C(=O)Cl)Cl H31617 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.5 C(=O)(C(=O)N)N A11570 [1,1,0,0,0,0|2,0,0]=4 513 B5R0.5 C(=O)(C(=O)O)N B20344 [1,1,0,0,0,0|1,0,0]=3 514 B5R0.5 C(=O)(C(=O)O)O 33262 [1,1,0,0,0,0|1,0,0]=3 515 B5R0.5 C(=O)(C(=O)O)O 35617 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.5 C(=O)(C(=O)O)O 35619 [1,1,0,0,0,0|1,0,0]=3 517 B5R0.5 C(=O)(C(=O)O)O 35622 [1,1,0,0,0,0|1,0,0]=3 518 B5R0.5 C(=O)(C(=O)O)O 44410 [1,1,0,0,0,0|1,0,0]=3 519 B5R0.5 C(=O)(C(=O)O)O A13866 [1,1,0,0,0,0|1,0,0]=3 520 B5R0.5 C(=O)(C(=O)[O-])N A16532 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.5 C(=O)(C(=O)[O-])[O-] 13426 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.5 C(=O)(C(=O)[O-])[O-] 13452 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.5 C(=O)(C(=O)[O-])[O-] 14113 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.5 C(=O)(C(=O)[O-])[O-] 14685 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.5 C(=O)(C(=O)[O-])[O-] 31116 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.5 C(=O)(C(=O)[O-])[O-] 31124 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.5 C(=O)(C(=O)[O-])[O-] 32430 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.5 C(=O)(C(=O)[O-])[O-] 36228 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.5 C(=O)(C(=O)[O-])[O-] 39261 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.5 C(=O)(C(=O)[O-])[O-] 39454 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.5 C(=O)(C(=O)[O-])[O-] 39573 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.5 C(=O)(C(=O)[O-])[O-] 39625 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.5 C(=O)(C(=O)[O-])[O-] 40757 [1,1,0,0,0,0|1,0,1]=4 534 B5R0.5 C(=O)(C(=O)[O-])[O-] 41759 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.5 C(=O)(C(=O)[O-])[O-] 42112 [1,1,0,0,0,0|1,0,1]=4 536 B5R0.5 C(=O)(C(=O)[O-])[O-] 42898 [1,1,0,0,0,0|1,0,1]=4 537 B5R0.5 C(=O)(C(=O)[O-])[O-] 44149 [1,1,0,0,0,0|1,0,1]=4 538 B5R0.5 C(=O)(C(=O)[O-])[O-] 47123 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.5 C(=O)(C(=O)[O-])[O-] 87758 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.5 C(=O)(C(=O)[O-])[O-] 89620 [1,1,0,0,0,0|1,0,1]=4 541 B5R0.5 C(=O)(C(=O)[O-])[O-] A10263 [1,1,0,0,0,0|1,0,1]=4 542 B5R0.5 C(=O)(C(=O)[O-])[O-] A11648 [1,1,0,0,0,0|1,0,1]=4 543 B5R0.5 C(=O)(C(=O)[O-])[O-] A11689 [1,1,0,0,0,0|1,0,1]=4 544 B5R0.5 C(=O)(C(=O)[O-])[O-] A12289 [1,1,0,0,0,0|1,0,1]=4 545 B5R0.5 C(=O)(C(=O)[O-])[O-] A13479 [1,1,0,0,0,0|1,0,1]=4 546 B5R0.5 C(=O)(C(=O)[O-])[O-] A14933 [1,1,0,0,0,0|1,0,1]=4 547 B5R0.5 C(=O)(C(=O)[O-])[O-] A15365 [1,1,0,0,0,0|1,0,1]=4 548 B5R0.5 C(=O)(C(=O)[O-])[O-] A18420 [1,1,0,0,0,0|1,0,1]=4 549 B5R0.5 C(=O)(C(=O)[O-])[O-] B21411 [1,1,0,0,0,0|1,0,1]=4 550 B5R0.5 C(=O)(C(=O)[O-])[O-] B22956 [1,1,0,0,0,0|1,0,1]=4 551 B5R0.5 C(C(=O)O)(Cl)Cl 31249 [1,1,0,0,0,0|1,0,1]=4 552 B5R0.5 C(C(=O)O)(Cl)Cl A14740 [1,1,0,0,0,0|1,0,1]=4 553 B5R0.5 C(C(=O)O)(F)F A12787 [1,1,0,0,0,0|1,0,1]=4 554 B5R0.5 C=C(C(=O)O)Br L01194 [1,1,0,0,0,0|0,0,0]=2 555 B5R0.5 C=C(C(=O)O)Cl L00350 [1,1,0,0,0,0|0,0,0]=2 556 B5R0.5 CC(=C(C)C)C A13201 [1,1,0,0,0,0|1,0,1]=4 557 B5R0.5 CC(=C)C(=C)C L04207 [1,1,0,0,0,0|1,0,0]=3 558 B5R0.5 CC(=C)C(=O)Cl L14511 [1,1,0,0,0,0|1,0,0]=3 559 B5R0.5 CC(=C)C(=O)N L15013 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.5 CC(=C)C(=O)O 15546 [1,1,0,0,0,0|0,0,0]=2 561 B5R0.5 CC(=C)C(=O)O A11543 [1,1,0,0,0,0|0,0,0]=2 562 B5R0.5 CC(=C)C(=O)[O-] 41569 [1,1,0,0,0,0|0,0,1]=3 563 B5R0.5 CC(=C)C(=O)[O-] 41621 [1,1,0,0,0,0|0,0,1]=3 564 B5R0.5 CC(=C)C(=O)[O-] L09272 [1,1,0,0,0,0|0,0,1]=3 565 B5R0.5 CC(=O)C(=O)C A14217 [1,1,0,0,0,0|0,0,1]=3 566 B5R0.5 CC(=O)C(=O)O A13875 [1,1,0,0,0,0|0,0,1]=3 567 B5R0.5 CC(=O)C(=O)[O-] A11148 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.5 CC(=O)C(=O)[O-] A16308 [1,1,0,0,0,0|1,0,0]=3 569 B5R0.5 CC(=O)C(=O)[O-] B25204 [1,1,0,0,0,0|1,0,0]=3 570 B5R0.5 CC(=O)C(Cl)Cl L10367 [1,1,0,0,0,0|1,0,1]=4 571 B5R0.5 CC(=O)N(C)C 22916 [1,1,0,0,0,0|1,0,1]=4 572 B5R0.5 CC(=O)N(C)C 44913 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.5 CC(=O)N(C)C A10924 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.5 CC(C(=O)Br)Br B22504 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.5 CC(C(=O)C)Br A10186 [1,1,0,0,0,0|0,0,2]=4 576 B5R0.5 CC(C(=O)C)Cl L14158 [1,1,0,0,0,0|0,0,2]=4 577 B5R0.5 CC(C(=O)C)O A13752 [1,1,0,0,0,0|0,0,2]=4 578 B5R0.5 CC(C(=O)C)S B22494 [1,1,0,0,0,0|0,0,2]=4 579 B5R0.5 CC(C(=O)Cl)Br B23662 [1,1,0,0,0,0|2,0,0]=4 580 B5R0.5 CC(C(=O)Cl)Cl B24503 [1,1,0,0,0,0|2,0,0]=4 581 B5R0.5 CC(C(=O)O)Br A17569 [1,1,0,0,0,0|0,0,2]=4 582 B5R0.5 CC(C(=O)O)Cl A12860 [1,1,0,0,0,0|0,0,2]=4 583 B5R0.5 CC(C(=O)O)F H25841 [1,1,0,0,0,0|0,0,2]=4 584 B5R0.5 CC(C(=O)O)N A12230 [1,1,0,0,0,0|0,0,2]=4 585 B5R0.5 CC(C(=O)O)O 36415 [1,1,0,0,0,0|0,0,2]=4 586 B5R0.5 CC(C(=O)O)O L14259 [1,1,0,0,0,0|0,0,2]=4 587 B5R0.5 CC(C(=O)O)S L10257 [1,1,0,0,0,0|0,0,2]=4 588 B5R0.5 CC(C(=O)[O-])O 20835 [1,1,0,0,0,0|2,0,0]=4 589 B5R0.5 CC(C(=O)[O-])O 39122 [1,1,0,0,0,0|2,0,0]=4 590 B5R0.5 CC(C(=O)[O-])O 39369 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.5 CC(C(=O)[O-])O 41529 [1,1,0,0,0,0|2,0,0]=4 592 B5R0.5 CC(C(=O)[O-])O 44858 [1,1,0,0,0,0|2,0,0]=4 593 B5R0.5 CC(C(=O)[O-])O B23643 [1,1,0,0,0,0|2,0,0]=4 594 B5R0.5 CC(C(=O)[O-])[O-] 42676 [1,1,0,0,0,0|2,0,0]=4 595 B5R0.5 CC(C)C(=C)C L05675 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.5 CC(C)C(=O)C B24527 [1,1,0,0,0,0|0,0,2]=4 597 B5R0.5 CC(C)C(=O)Cl B24472 [1,1,0,0,0,0|2,0,0]=4 598 B5R0.5 CC(C)C(=O)N B21641 [1,1,0,0,0,0|2,0,0]=4 599 B5R0.5 CC(C)C(=O)O L04038 [1,1,0,0,0,0|0,0,2]=4 600 B5R0.5 CC(C)C(=O)[O-] 39372 [1,1,0,0,0,0|2,0,0]=4 601 B5R0.5 CC(C)C(=O)[O-] 46786 [1,1,0,0,0,0|2,0,0]=4 602 B5R0.5 CN(C)C(=O)Cl L03415 [1,1,0,0,0,0|2,0,0]=4 603 B5R0.5 CN(C)C(=O)N L05065 [1,1,0,0,0,0|2,0,0]=4 604 B5R0.5 C[C@@H](C(=O)N)N H63019 [1,1,0,0,0,0|2,0,0]=4 605 B5R0.5 C[C@@H](C(=O)O)Cl L09427 [1,1,0,0,0,0|0,0,2]=4 606 B5R0.5 C[C@@H](C(=O)O)N A15804 [1,1,0,0,0,0|0,0,2]=4 607 B5R0.5 C[C@@H](C(=O)O)O A17268 [1,1,0,0,0,0|0,0,2]=4 608 B5R0.5 C[C@@H](C(=O)O)O L13242 [1,1,0,0,0,0|0,0,2]=4 609 B5R0.5 C[C@@H](C(=O)[O-])O A11818 [1,1,0,0,0,0|2,0,0]=4 610 B5R0.5 C[C@@H](C(=O)[O-])O L14500 [1,1,0,0,0,0|2,0,0]=4 611 B5R0.5 C[C@H](C(=O)N)N H63535 [1,1,0,0,0,0|2,0,0]=4 612 B5R0.5 C[C@H](C(=O)O)N A10231 [1,1,0,0,0,0|0,0,2]=4 613 B5R0.2 C=CCCCBr A11219 [1,1,0,0,0,0|1,0,1]=4 614 B5R0.2 C=CCCCO A11178 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.2 C=CCCC[Zn+] H58177 [1,1,0,0,0,0|1,0,1]=4 616 B5R0.2 C=CCOC=C L13320 [1,1,0,0,0,0|0,0,2]=4 617 B5R0.2 CCCCC=C B20271 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.2 CCC\C=C/C H53506 [1,1,0,0,0,0|1,0,1]=4 619 B5R0.2 CCC\C=C\C B22289 [1,1,0,0,0,0|1,0,1]=4 620 B5R0.2 CCC\C=C\C H53472 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.2 CCOCC=C B22276 [1,1,0,0,0,0|0,0,1]=3 622 B5R0.2 CCO\C=C\C H26319 [1,1,0,0,0,0|0,0,1]=3 623 B5R0.2 CCSCC=C L12847 [1,1,0,0,0,0|0,1,1]=4 624 B5R0.2 CC\C=C/CC H53485 [1,1,0,0,0,0|1,0,1]=4 625 B5R0.2 CC\C=C/CO A14262 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.2 CC\C=C\C=O L06108 [1,1,0,0,0,0|1,0,0]=3 627 B5R0.2 CC\C=C\CC L10311 [1,1,0,0,0,0|1,0,1]=4 628 B5R0.2 C\C=C\C=C\C H53404 [1,1,0,0,0,0|1,0,0]=3 629 B5R0.2 C\C=C\CC=C B20060 [1,1,0,0,0,0|1,0,0]=3 630 B7R0.2 CC(=CC(=O)OC)C L19731 [0,2,0,0,0,0|0,0,0]=2 631 B7R0.2 CC(=O)CC(=O)OC A13696 [0,2,0,0,0,0|0,0,1]=3 632 B7R0.2 CC(C)CC(=O)OC L06241 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.2 CC(C)NC(=O)C=C H66262 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.2 CC(C)OC(=O)CCl A19070 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.2 CC(C)OC(=O)CN H50249 [0,2,0,0,0,0|1,0,1]=4 636 B7R0.2 CC(C)OC(=O)CO H50334 [0,2,0,0,0,0|1,0,1]=4 637 B7R0.2 CC(C)OC(=O)OC L15314 [0,2,0,0,0,0|0,0,2]=4 638 B7R0.2 CCC(=O)OC(C)C A19052 [0,2,0,0,0,0|0,0,2]=4 639 B7R0.2 CN(C)CC(=O)OC L11897 [0,2,0,0,0,0|0,0,2]=4 640 B7R0.2 COC(=O)CC(=O)N B25326 [0,2,0,0,0,0|0,0,1]=3 641 B7R0.2 COC(=O)CC(=O)O H27772 [0,2,0,0,0,0|0,0,1]=3 642 B7R0.2 COC(=O)CC(=O)[O-] L20429 [0,2,0,0,0,0|0,0,1]=3 643 B7R0.2 COC(=O)C[N+](=O)[O-] L18950 [0,2,0,0,0,0|1,0,1]=4 644 B7R0.2 C[C@@H](CC(=O)OC)O L19996 [0,2,0,0,0,0|0,0,2]=4 645 B7R0.2 C[C@H](CC(=O)OC)O L14151 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.2 C\C(=C\C(=O)OC)\N B24953 [0,2,0,0,0,0|0,0,0]=2 647 B7R0.3 C=CC(=O)OCC#C L09383 [0,2,0,0,0,0|0,0,0]=2 648 B7R0.3 C=CC(=O)OCCBr L12502 [0,2,0,0,0,0|0,0,0]=2 649 B7R0.3 C=CC(=O)OCCO B24815 [0,2,0,0,0,0|0,0,0]=2 650 B7R0.3 C=CCOC(=O)C=C 44463 [0,2,0,0,0,0|0,0,0]=2 651 B7R0.3 C=CCOC(=O)C=C L10138 [0,2,0,0,0,0|0,0,0]=2 652 B7R0.3 C=CCOC(=O)CCl L11531 [0,2,0,0,0,0|1,0,1]=4 653 B7R0.3 CCC(=O)OCC#C L09371 [0,2,0,0,0,0|0,0,2]=4 654 B7R0.3 CCC(=O)SCC=C B22532 [0,2,0,0,0,0|1,0,0]=3 655 B7R0.3 CCCCC(=O)OC B24828 [0,2,0,0,0,0|0,0,2]=4 656 B7R0.3 CCCOC(=O)C=C L09714 [0,2,0,0,0,0|0,0,0]=2 657 B7R0.3 CCCOC(=O)CBr L11951 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.3 CCCOC(=O)CC B20680 [0,2,0,0,0,0|0,0,2]=4 659 B7R0.3 CCCOC(=O)CN H50250 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.3 COC(=O)CCCBr L12636 [0,2,0,0,0,0|0,0,2]=4 661 B7R0.3 COC(=O)CCCCl L03734 [0,2,0,0,0,0|0,0,2]=4 662 B7R0.3 COC(=O)CCSC A10649 [0,2,0,0,0,0|0,0,2]=4 663 B7R0.3 COC(=O)CN=C=S L11046 [0,2,0,0,0,0|0,0,2]=4 664 B7R0.3 COC(=O)\C=C\CBr A15582 [0,2,0,0,0,0|0,0,0]=2 665 B7R0.5 CC(=C)C(=O)OC=C L09584 [0,2,0,0,0,0|0,0,1]=3 666 B7R0.5 CCCC(=O)C(=O)C L04669 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.5 CCOC(=O)C(=C)C A17518 [0,2,0,0,0,0|0,0,0]=2 668 B7R0.5 CCOC(=O)C(=O)C A15045 [0,2,0,0,0,0|0,0,1]=3 669 B7R0.5 CCOC(=O)C(=O)Cl A14653 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.5 CCOC(=O)C(=O)[O-] H35403 [0,2,0,0,0,0|1,0,0]=3 671 B7R0.5 CCOC(=O)C(Br)Br B23209 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.5 CCOC(=O)C(C)Br A10820 [0,2,0,0,0,0|0,0,2]=4 673 B7R0.5 CCOC(=O)C(C)C A12966 [0,2,0,0,0,0|0,0,2]=4 674 B7R0.5 CCOC(=O)C(C)Cl L13410 [0,2,0,0,0,0|0,0,2]=4 675 B7R0.5 CCOC(=O)C(C)N L11020 [0,2,0,0,0,0|0,0,2]=4 676 B7R0.5 CCOC(=O)C(C)O A10900 [0,2,0,0,0,0|0,0,2]=4 677 B7R0.5 CCOC(=O)C(C)S L11520 [0,2,0,0,0,0|0,0,2]=4 678 B7R0.5 CCOC(=O)C(F)Br B21579 [0,2,0,0,0,0|1,0,1]=4 679 B7R0.5 CCOC(=O)C(F)Cl A14196 [0,2,0,0,0,0|1,0,1]=4 680 B7R0.5 CCOC(=O)C(F)F A11215 [0,2,0,0,0,0|1,0,1]=4 681 B7R0.5 CCOC(=O)[C@@H](C)N H62791 [0,2,0,0,0,0|0,0,2]=4 682 B7R0.5 CCOC(=O)[C@H](C)N A11271 [0,2,0,0,0,0|0,0,2]=4 683 B7R0.5 CCOC(=S)C(=O)N H31447 [0,2,0,0,0,0|1,1,0]=4 684 B7R0.7 CCCC(=O)OCC L06025 [0,2,0,0,0,0|0,0,2]=4 685 B7R0.7 CCOC(=O)C#CC B25370 [0,2,0,0,0,0|0,0,2]=4 686 B7R0.7 CCOC(=O)CC#N A11498 [0,2,0,0,0,0|0,0,2]=4 687 B7R0.7 CCOC(=O)CCBr A12402 [0,2,0,0,0,0|0,0,2]=4 688 B7R0.7 CCOC(=O)CCCl B23907 [0,2,0,0,0,0|0,0,2]=4 689 B7R0.7 CCOC(=O)CCN A17277 [0,2,0,0,0,0|0,0,2]=4 690 B7R0.7 CCOC(=O)CC[Zn+] H26739 [0,2,0,0,0,0|0,0,2]=4 691 B7R0.7 CCOC(=O)CNC A13112 [0,2,0,0,0,0|0,0,2]=4 692 B7R0.7 CCOC(=O)CNN H60042 [0,2,0,0,0,0|1,0,1]=4 693 B7R0.7 CCOC(=O)COC A18770 [0,2,0,0,0,0|0,0,2]=4 694 B7R0.7 CCOC(=O)CSC B24285 [0,2,0,0,0,0|0,0,2]=4 695 B7R0.7 CCOC(=O)C[N+]#[C-] L15379 [0,2,0,0,0,0|0,0,2]=4 696 B7R0.7 CCOC(=O)N=C=S L00911 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.7 CCOC(=O)OCC A12477 [0,2,0,0,0,0|0,0,2]=4 698 B7R0.7 CCOC(=O)\C=C\C A12529 [0,2,0,0,0,0|0,0,0]=2 699 B7R0.10 CC(C(=O)OC)OC L13527 [0,2,0,0,0,0|0,0,2]=4 700 B7R0.10 CC(C(=O)OC)SC B21979 [0,2,0,0,0,0|0,0,2]=4 701 B7R0.10 CCC(=O)C(=O)CC L06655 [0,2,0,0,0,0|1,0,1]=4 702 B7R0.10 CCC(C(=O)OC)Br A19468 [0,2,0,0,0,0|0,0,2]=4 703 B7R0.10 CCC(C)C(=O)OC L08103 [0,2,0,0,0,0|0,0,2]=4 704 B7R0.10 CN(C(=O)CCl)OC L17048 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.10 CNC(=O)C(=O)NC A11333 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.10 COC(=O)C(=O)OC A15359 [0,2,0,0,0,0|0,0,1]=3 707 B7R0.10 COC(=O)C(CCl)Cl B21993 [0,2,0,0,0,0|0,0,2]=4 708 B7R0.10 COC(=O)C(CF)Br H31790 [0,2,0,0,0,0|0,0,2]=4 709 B7R0.10 COC(=O)C(CO)Cl H27623 [0,2,0,0,0,0|0,0,2]=4 710 B7R0.10 COC(=O)C(CO)N A13904 [0,2,0,0,0,0|0,0,2]=4 711 B7R0.10 COC(=O)[C@@H](CO)N H63685 [0,2,0,0,0,0|0,0,2]=4 712 B7R0.10 COC(=O)[C@H](CO)N A12355 [0,2,0,0,0,0|0,0,2]=4 713 B7R0.10 C[C@@H](CO)C(=O)OC 44483 [0,2,0,0,0,0|0,0,2]=4 714 B7R0.10 C\C=C(/C)\C(=O)OC A11964 [0,2,0,0,0,0|0,0,0]=2 715 B7R0.11 CCO[Si](C)(C)C=C L16699 [0,2,0,0,0,0|1,1,0]=4 716 B7R0.14 CC(C)(C(=O)OC)N H26550 [0,2,0,0,0,0|0,0,2]=4 717 B7R0.14 CC(C)(C)C(=O)OC A13764 [0,2,0,0,0,0|0,0,2]=4 718 B7R0.14 COC(=O)C(F)(F)Cl A18623 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.14 COC(=O)C(F)(F)F A17338 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.15 C\C=C(\C(=O)O)/OC L19293 [0,2,0,0,0,0|0,0,1]=3 721 B7R0.18 COP(=O)(C=C)OC L19949 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.18 CO[Si](C)(C=C)OC L14035 [0,2,0,0,0,0|0,1,1]=4 723 B5R1.2 C1C(=O)CO1 H57870 [1,0,0,1,0,0|1,0,1]=4 724 B5R1.2 C1CC(=O)C1 A13068 [1,0,0,1,0,0|0,0,2]=4 725 B5R1.2 C1COC1=O B23197 [1,0,0,1,0,0|0,0,1]=3 726 B5R1.3 C=CC1CO1 L00238 [1,0,0,1,0,0|0,0,2]=4 727 B5R1.1 C1C=CC=C1 31114 [1,0,0,1,0,0|1,0,0]=3 728 B5R1.1 C1C=CC=C1 39245 [1,0,0,1,0,0|1,0,0]=3 729 B5R1.1 C1C=CC=C1 87202 [1,0,0,1,0,0|1,0,0]=3 730 B5R1.1 C1C=CC=C1 H27238 [1,0,0,1,0,0|1,0,0]=3 731 B5R1.1 C1C=CC=C1 H27389 [1,0,0,1,0,0|1,0,0]=3 732 B5R1.1 C1C=CC=C1 H27818 [1,0,0,1,0,0|1,0,0]=3 733 B5R1.1 C1C=CCN1 H26072 [1,0,0,1,0,0|1,0,1]=4 734 B5R1.1 C1C=CCN1 L16349 [1,0,0,1,0,0|1,0,1]=4 735 B5R1.1 C1CC=CC1 41461 [1,0,0,1,0,0|1,0,1]=4 736 B5R1.1 C1CC=CC1 A11027 [1,0,0,1,0,0|1,0,1]=4 737 B5R1.1 C1COC=C1 B20575 [1,0,0,1,0,0|0,0,1]=3 738 B5R1.1 [cH-]1cccc1 39329 [1,0,0,1,0,0|1,0,1]=4 739 B5R1.1 [cH-]1cccc1 88300 [1,0,0,1,0,0|1,0,1]=4 740 B5R1.1 c1c[nH]nc1 A14186 [1,0,0,1,0,0|2,0,0]=4 741 B5R1.1 c1cc[nH]c1 A12616 [1,0,0,1,0,0|1,0,1]=4 742 B5R1.1 c1ccoc1 A13102 [1,0,0,1,0,0|0,0,1]=3 743 B5R1.1 c1ccsc1 A13941 [1,0,0,1,0,0|0,1,1]=4 744 B5R1.1 c1cnoc1 L01607 [1,0,0,1,0,0|1,0,0]=3 745 B5R1.1 c1cocn1 L18341 [1,0,0,1,0,0|1,0,1]=4 746 B7R1.1 C1C=CC=C1C=O 39254 [0,1,0,1,0,0|1,0,1]=4 747 B7R1.1 C1C=CC=C1C=O 44292 [0,1,0,1,0,0|1,0,1]=4 748 B7R1.1 CCC1=CC=CC1 39253 [0,1,0,1,0,0|2,0,0]=4 749 B7R1.1 CCC1=CC=CC1 H27592 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.1 CCC1=CC=CC1 H27618 [0,1,0,1,0,0|2,0,0]=4 751 B7R1.1 CCC1=CC=CC1 H27769 [0,1,0,1,0,0|2,0,0]=4 752 B7R1.1 CCc1[nH]ccn1 B24090 [0,1,0,1,0,0|2,0,0]=4 753 B7R1.1 CCc1ccco1 A15520 [0,1,0,1,0,0|1,0,1]=4 754 B7R1.1 CCc1cccs1 A13372 [0,1,0,1,0,0|1,1,0]=4 755 B7R1.1 COc1ccco1 A15593 [0,1,0,1,0,0|0,0,1]=3 756 B7R1.1 COc1cccs1 A10455 [0,1,0,1,0,0|0,1,0]=3 757 B7R1.1 COc1ccsc1 B21940 [0,1,0,1,0,0|0,1,0]=3 758 B7R1.1 COc1nccs1 B25655 [0,1,0,1,0,0|0,1,0]=3 759 B7R1.1 CSc1c[nH]cn1 H63990 [0,1,0,1,0,0|1,1,0]=4 760 B7R1.1 CSc1cccs1 A11763 [0,1,0,1,0,0|0,2,0]=4 761 B7R1.1 CSc1nccs1 B25137 [0,1,0,1,0,0|0,2,0]=4 762 B7R1.1 C[Mn]C1=CC=CC1 47125 [0,1,0,1,0,0|2,0,0]=4 763 B7R1.1 c1c[nH]cc1C=O H35559 [0,1,0,1,0,0|2,0,0]=4 764 B7R1.1 c1cc([nH]c1)C=O A12838 [0,1,0,1,0,0|1,0,1]=4 765 B7R1.1 c1cc(oc1)C#N A12214 [0,1,0,1,0,0|1,0,1]=4 766 B7R1.1 c1cc(oc1)C=O 31305 [0,1,0,1,0,0|0,0,1]=3 767 B7R1.1 c1cc(oc1)C=O A16167 [0,1,0,1,0,0|0,0,1]=3 768 B7R1.1 c1cc(oc1)CN B23975 [0,1,0,1,0,0|1,0,1]=4 769 B7R1.1 c1cc(oc1)CO A10968 [0,1,0,1,0,0|0,0,2]=4 770 B7R1.1 c1cc(oc1)CS B22380 [0,1,0,1,0,0|0,1,1]=4 771 B7R1.1 c1cc(sc1)C=O A14344 [0,1,0,1,0,0|0,1,1]=4 772 B7R1.1 c1cocc1C=O A11334 [0,1,0,1,0,0|2,0,0]=4 773 B7R1.1 c1cscc1C=O A14628 [0,1,0,1,0,0|2,0,0]=4 774 B7R1.2 C1=CC(=O)NC1=O A13135 [0,1,0,1,0,0|1,0,1]=4 775 B7R1.2 C1=CC(=O)OC1=O A12178 [0,1,0,1,0,0|0,0,1]=3 776 B7R1.2 C1=CC(=O)OC1=O H66064 [0,1,0,1,0,0|0,0,1]=3 777 B7R1.2 C1C(=O)COC1=O A14079 [0,1,0,1,0,0|0,0,1]=3 778 B7R1.2 C1C(=O)NC(=O)N1 A12486 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.2 C1C(=O)NC(=O)S1 A13496 [0,1,0,1,0,0|1,1,0]=4 780 B7R1.2 C1C(COC1=O)O L20257 [0,1,0,1,0,0|0,0,2]=4 781 B7R1.2 C1C(OC(=O)O1)F H61502 [0,1,0,1,0,0|1,0,1]=4 782 B7R1.2 C1CC(=O)CC1=O L10336 [0,1,0,1,0,0|1,0,1]=4 783 B7R1.2 C1CC(=O)NC1=O A13503 [0,1,0,1,0,0|2,0,0]=4 784 B7R1.2 C1CC(=O)OC1=O A12245 [0,1,0,1,0,0|2,0,0]=4 785 B7R1.2 C1[C@@H](COC1=O)O L20256 [0,1,0,1,0,0|0,0,2]=4 786 B7R1.2 C1[C@H](COC1=O)O L20255 [0,1,0,1,0,0|0,0,2]=4 787 B7R1.2 CC1=CC(=O)CC1 A13993 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.2 CC1=CCC(=O)O1 L07602 [0,1,0,1,0,0|0,0,1]=3 789 B7R1.2 CC1CCC(=O)O1 A18872 [0,1,0,1,0,0|0,0,2]=4 790 B7R1.2 CC1COC(=O)O1 A15552 [0,1,0,1,0,0|0,0,2]=4 791 B7R1.2 Cc1cc(no1)O 44450 [0,1,0,1,0,0|2,0,0]=4 792 B7R1.2 Cc1cc(on1)C A12217 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.2 Cc1cc(on1)N A12446 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.2 Cc1ccc(o1)C A12833 [0,1,0,1,0,0|1,0,0]=3 795 B7R1.2 Cc1ccc(s1)C A10869 [0,1,0,1,0,0|1,1,0]=4 796 B7R1.2 Cc1ccc(s1)Cl B21657 [0,1,0,1,0,0|1,1,0]=4 797 B7R1.2 Cn1ccc(n1)I H66356 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.2 Cn1ccc(n1)N H30935 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.3 C1CC=CC(=O)C1 A15435 [0,1,0,1,0,0|1,0,0]=3 800 B7R1.3 C1CCOC(=O)C1 L04794 [0,1,0,1,0,0|0,0,2]=4 801 B7R1.3 C1COC(=O)C=C1 L14909 [0,1,0,1,0,0|0,0,0]=2 802 B7R1.3 CC1=CCC=CC1 B20298 [0,1,0,1,0,0|2,0,0]=4 803 B7R1.3 c1c[nH]cnc1=O H64690 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.3 c1cc(=O)[nH]nc1 H55334 [0,1,0,1,0,0|1,0,1]=4 805 B7R1.3 c1cnc[nH]c1=O A10859 [0,1,0,1,0,0|1,0,1]=4 806 B7R1.4 C1COC(=O)C1Br A17344 [0,1,0,1,0,0|0,0,2]=4 807 B7R1.4 C1COC(=O)N1N H35648 [0,1,0,1,0,0|1,0,1]=4 808 B7R1.4 C1COC(=O)[C@H]1N B23148 [0,1,0,1,0,0|0,0,2]=4 809 B7R1.4 C1[C@H](C(=O)NO1)N A18000 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.4 Cc1ccoc1C L15705 [0,1,0,1,0,0|1,0,1]=4 811 B7R1.4 Cc1ccsc1Br L11393 [0,1,0,1,0,0|2,0,0]=4 812 B7R1.4 Cc1ccsc1C H31641 [0,1,0,1,0,0|2,0,0]=4 813 B7R1.4 Cc1ccsc1Cl H27957 [0,1,0,1,0,0|2,0,0]=4 814 B7R1.4 Cc1nccn1C B23544 [0,1,0,1,0,0|2,0,0]=4 815 B7R1.4 Cn1c(ccn1)I H37465 [0,1,0,1,0,0|2,0,0]=4 816 B7R1.4 Cn1ccnc1Br H52407 [0,1,0,1,0,0|2,0,0]=4 817 B7R1.4 Cn1ccnc1Cl H51867 [0,1,0,1,0,0|2,0,0]=4 818 B7R1.4 Cn1ccnc1I H51862 [0,1,0,1,0,0|2,0,0]=4 819 B7R1.4 Cn1ccnc1S A13094 [0,1,0,1,0,0|1,1,0]=4 820 B7R1.4 Cn1cncc1Cl L11899 [0,1,0,1,0,0|2,0,0]=4 821 B7R1.4 Cn1cncc1I H56932 [0,1,0,1,0,0|2,0,0]=4 822 B7R1.4 c1coc(c1Br)Br L15518 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.22 COC(=O)C1CC1 B20853 [0,1,0,1,0,0|0,0,2]=4