0 B5R0.5 B(C(C)C)(O)O L19962 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 C(=N)(N)S(=O)O A11885 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.5 C(=O)(C(=O)Cl)Cl A18012 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.5 C(=O)(C(=O)Cl)Cl H31617 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.5 C(=O)(C(=O)N)N A11570 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.5 C(=O)(C(=O)O)N B20344 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 C(=O)(C(=O)O)O 33262 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 C(=O)(C(=O)O)O 35617 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 C(=O)(C(=O)O)O 35619 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.5 C(=O)(C(=O)O)O 35622 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 C(=O)(C(=O)O)O 44410 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.5 C(=O)(C(=O)O)O A13866 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 C(=O)(C(=O)[O-])N A16532 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.5 C(=O)(C(=O)[O-])[O-] 13426 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.5 C(=O)(C(=O)[O-])[O-] 13452 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.5 C(=O)(C(=O)[O-])[O-] 14113 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.5 C(=O)(C(=O)[O-])[O-] 14685 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.5 C(=O)(C(=O)[O-])[O-] 31116 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.5 C(=O)(C(=O)[O-])[O-] 31124 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.5 C(=O)(C(=O)[O-])[O-] 32430 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.5 C(=O)(C(=O)[O-])[O-] 36228 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.5 C(=O)(C(=O)[O-])[O-] 39261 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.5 C(=O)(C(=O)[O-])[O-] 39454 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.5 C(=O)(C(=O)[O-])[O-] 39573 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.5 C(=O)(C(=O)[O-])[O-] 39625 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.5 C(=O)(C(=O)[O-])[O-] 40757 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.5 C(=O)(C(=O)[O-])[O-] 41759 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.5 C(=O)(C(=O)[O-])[O-] 42112 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.5 C(=O)(C(=O)[O-])[O-] 42898 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.5 C(=O)(C(=O)[O-])[O-] 44149 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.5 C(=O)(C(=O)[O-])[O-] 47123 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.5 C(=O)(C(=O)[O-])[O-] 87758 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.5 C(=O)(C(=O)[O-])[O-] 89620 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.5 C(=O)(C(=O)[O-])[O-] A10263 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.5 C(=O)(C(=O)[O-])[O-] A11648 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.5 C(=O)(C(=O)[O-])[O-] A11689 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.5 C(=O)(C(=O)[O-])[O-] A12289 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.5 C(=O)(C(=O)[O-])[O-] A13479 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.5 C(=O)(C(=O)[O-])[O-] A14933 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.5 C(=O)(C(=O)[O-])[O-] A15365 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.5 C(=O)(C(=O)[O-])[O-] A18420 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.5 C(=O)(C(=O)[O-])[O-] B21411 [0,0,0,0,0,0|2,0,2]=4 42 B5R0.5 C(=O)(C(=O)[O-])[O-] B22956 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.5 C(C(=O)Cl)(Cl)Cl B22296 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.5 C(C(=O)N)(Cl)Cl L00315 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.5 C(C(=O)O)(Cl)Cl 31249 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.5 C(C(=O)O)(Cl)Cl A14740 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.5 C(C(=O)O)(F)F A12787 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.5 C(C(=O)[O-])(Cl)Cl B21827 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.5 C=C(C(=O)O)Br L01194 [0,0,0,0,0,0|1,0,2]=3 50 B5R0.5 C=C(C(=O)O)Cl L00350 [0,0,0,0,0,0|1,0,2]=3 51 B5R0.5 CC(=C(C)C)C A13201 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.5 CC(=C)C(=C)C L04207 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.5 CC(=C)C(=O)Cl L14511 [0,0,0,0,0,0|1,0,2]=3 54 B5R0.5 CC(=C)C(=O)N L15013 [0,0,0,0,0,0|1,0,2]=3 55 B5R0.5 CC(=C)C(=O)O 15546 [0,0,0,0,0,0|0,0,2]=2 56 B5R0.5 CC(=C)C(=O)O A11543 [0,0,0,0,0,0|0,0,2]=2 57 B5R0.5 CC(=C)C(=O)[O-] 41569 [0,0,0,0,0,0|0,0,3]=3 58 B5R0.5 CC(=C)C(=O)[O-] 41621 [0,0,0,0,0,0|0,0,3]=3 59 B5R0.5 CC(=C)C(=O)[O-] L09272 [0,0,0,0,0,0|0,0,3]=3 60 B5R0.5 CC(=O)C(=O)C A14217 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.5 CC(=O)C(=O)O A13875 [0,0,0,0,0,0|1,0,1]=2 62 B5R0.5 CC(=O)C(=O)[O-] A11148 [0,0,0,0,0,0|1,0,2]=3 63 B5R0.5 CC(=O)C(=O)[O-] A16308 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.5 CC(=O)C(=O)[O-] B25204 [0,0,0,0,0,0|1,0,2]=3 65 B5R0.5 CC(=O)C(Cl)Cl L10367 [0,0,0,0,0,0|3,0,0]=3 66 B5R0.5 CC(=O)N(C)C 22916 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.5 CC(=O)N(C)C 44913 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.5 CC(=O)N(C)C A10924 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.5 CC(=S)N(C)C B20020 [0,0,0,0,0,0|2,1,0]=3 70 B5R0.5 CC(C(=O)Br)Br B22504 [0,0,0,0,0,0|2,0,0]=2 71 B5R0.5 CC(C(=O)C)Br A10186 [0,0,0,0,0,0|2,0,0]=2 72 B5R0.5 CC(C(=O)C)Cl L14158 [0,0,0,0,0,0|2,0,0]=2 73 B5R0.5 CC(C(=O)C)O A13752 [0,0,0,0,0,0|2,0,0]=2 74 B5R0.5 CC(C(=O)C)S B22494 [0,0,0,0,0,0|2,0,0]=2 75 B5R0.5 CC(C(=O)Cl)Br B23662 [0,0,0,0,0,0|2,0,0]=2 76 B5R0.5 CC(C(=O)Cl)Cl B24503 [0,0,0,0,0,0|2,0,0]=2 77 B5R0.5 CC(C(=O)O)Br A17569 [0,0,0,0,0,0|1,0,0]=1 78 B5R0.5 CC(C(=O)O)Cl A12860 [0,0,0,0,0,0|1,0,0]=1 79 B5R0.5 CC(C(=O)O)F H25841 [0,0,0,0,0,0|1,0,0]=1 80 B5R0.5 CC(C(=O)O)N A12230 [0,0,0,0,0,0|1,0,0]=1 81 B5R0.5 CC(C(=O)O)O 36415 [0,0,0,0,0,0|1,0,0]=1 82 B5R0.5 CC(C(=O)O)O L14259 [0,0,0,0,0,0|1,0,0]=1 83 B5R0.5 CC(C(=O)O)S L10257 [0,0,0,0,0,0|1,0,0]=1 84 B5R0.5 CC(C(=O)[O-])O 20835 [0,0,0,0,0,0|1,0,1]=2 85 B5R0.5 CC(C(=O)[O-])O 39122 [0,0,0,0,0,0|1,0,1]=2 86 B5R0.5 CC(C(=O)[O-])O 39369 [0,0,0,0,0,0|1,0,1]=2 87 B5R0.5 CC(C(=O)[O-])O 41529 [0,0,0,0,0,0|1,0,1]=2 88 B5R0.5 CC(C(=O)[O-])O 44858 [0,0,0,0,0,0|1,0,1]=2 89 B5R0.5 CC(C(=O)[O-])O B23643 [0,0,0,0,0,0|1,0,1]=2 90 B5R0.5 CC(C(=O)[O-])[O-] 42676 [0,0,0,0,0,0|1,0,1]=2 91 B5R0.5 CC(C(C)Br)Br A10219 [0,0,0,0,0,0|3,0,1]=4 92 B5R0.5 CC(C(C)Cl)Cl B21386 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.5 CC(C(C)O)O H66369 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.5 CC(C)C(=C)C L05675 [0,0,0,0,0,0|2,0,0]=2 95 B5R0.5 CC(C)C(=O)C B24527 [0,0,0,0,0,0|1,0,0]=1 96 B5R0.5 CC(C)C(=O)Cl B24472 [0,0,0,0,0,0|1,0,0]=1 97 B5R0.5 CC(C)C(=O)N B21641 [0,0,0,0,0,0|1,0,0]=1 98 B5R0.5 CC(C)C(=O)O L04038 [0,0,0,0,0,0|0,0,0]=0 99 B5R0.5 CC(C)C(=O)[O-] 39372 [0,0,0,0,0,0|0,0,1]=1 100 B5R0.5 CC(C)C(=O)[O-] 46786 [0,0,0,0,0,0|0,0,1]=1 101 B5R0.5 CC(C)C(=S)N H64663 [0,0,0,0,0,0|1,1,0]=2 102 B5R0.5 CC(C)C(C)C 43142 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.5 CC(C)C(C)C B22223 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.5 CC(C)C(C)N L02948 [0,0,0,0,0,0|2,0,1]=3 105 B5R0.5 CC(C)C(C)O L05347 [0,0,0,0,0,0|1,0,1]=2 106 B5R0.5 CC(C)C(C)S B22330 [0,0,0,0,0,0|1,1,1]=3 107 B5R0.5 CN(C)C(=O)Cl L03415 [0,0,0,0,0,0|2,0,0]=2 108 B5R0.5 CN(C)C(=O)N L05065 [0,0,0,0,0,0|2,0,0]=2 109 B5R0.5 CN(C)C(=S)Cl H60104 [0,0,0,0,0,0|2,1,0]=3 110 B5R0.5 CN(C)P(Cl)Cl H27856 [0,0,0,0,0,0|4,0,0]=4 111 B5R0.5 C[C@@H](C(=O)N)N H63019 [0,0,0,0,0,0|2,0,0]=2 112 B5R0.5 C[C@@H](C(=O)O)Cl L09427 [0,0,0,0,0,0|1,0,0]=1 113 B5R0.5 C[C@@H](C(=O)O)N A15804 [0,0,0,0,0,0|1,0,0]=1 114 B5R0.5 C[C@@H](C(=O)O)O A17268 [0,0,0,0,0,0|1,0,0]=1 115 B5R0.5 C[C@@H](C(=O)O)O L13242 [0,0,0,0,0,0|1,0,0]=1 116 B5R0.5 C[C@@H](C(=O)[O-])O A11818 [0,0,0,0,0,0|1,0,1]=2 117 B5R0.5 C[C@@H](C(=O)[O-])O L14500 [0,0,0,0,0,0|1,0,1]=2 118 B5R0.5 C[C@@H](C(C)C)N L16332 [0,0,0,0,0,0|2,0,1]=3 119 B5R0.5 C[C@@H](C(C)C)O L09431 [0,0,0,0,0,0|1,0,1]=2 120 B5R0.5 C[C@H](C(=O)N)N H63535 [0,0,0,0,0,0|2,0,0]=2 121 B5R0.5 C[C@H](C(=O)O)N A10231 [0,0,0,0,0,0|1,0,0]=1 122 B5R0.5 C[C@H](C(C)C)N L16330 [0,0,0,0,0,0|2,0,1]=3 123 B5R0.5 C[C@H](C(C)C)O L11008 [0,0,0,0,0,0|1,0,1]=2 124 B5R0.5 C[C@H]([C@@H](C)O)O L06586 [0,0,0,0,0,0|2,0,1]=3 125 B5R0.5 C[N+](=C(Cl)Cl)C A12300 [0,0,0,0,0,0|3,0,0]=3 126 B4R0.1 B(CC)(O)O L19959 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 C#CC(=O)N H52319 [1,0,0,0,0,0|1,0,2]=4 128 B4R0.1 C#CC(=O)O A13245 [1,0,0,0,0,0|0,0,2]=3 129 B4R0.1 C(=O)(N)NN A11668 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.1 C(=O)(N)NO A10831 [1,0,0,0,0,0|3,0,0]=4 131 B4R0.1 C(=O)(SCl)Cl L06432 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.1 C(=O)([O-])O[O-] A16045 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 C(=O)C(=O)O A16058 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 C(=O)C(=O)O B25149 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.1 C(C(=N)N)Cl A14835 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.1 C(C(=O)Br)Br A19580 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 C(C(=O)Cl)Cl A15846 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 C(C(=O)Cl)I L04428 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.1 C(C(=O)N)Br A11926 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.1 C(C(=O)N)Cl A15238 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 C(C(=O)N)I A14715 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 C(C(=O)N)N A11128 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.1 C(C(=O)O)Br A14403 [1,0,0,0,0,0|1,0,0]=2 144 B4R0.1 C(C(=O)O)Cl 41724 [1,0,0,0,0,0|1,0,0]=2 145 B4R0.1 C(C(=O)O)Cl A11482 [1,0,0,0,0,0|1,0,0]=2 146 B4R0.1 C(C(=O)O)I A12410 [1,0,0,0,0,0|1,0,0]=2 147 B4R0.1 C(C(=O)O)N 36435 [1,0,0,0,0,0|1,0,0]=2 148 B4R0.1 C(C(=O)O)N 43497 [1,0,0,0,0,0|1,0,0]=2 149 B4R0.1 C(C(=O)O)N A12162 [1,0,0,0,0,0|1,0,0]=2 150 B4R0.1 C(C(=O)O)N A13816 [1,0,0,0,0,0|1,0,0]=2 151 B4R0.1 C(C(=O)O)N J60154 [1,0,0,0,0,0|1,0,0]=2 152 B4R0.1 C(C(=O)O)N J61855 [1,0,0,0,0,0|1,0,0]=2 153 B4R0.1 C(C(=O)O)N J62407 [1,0,0,0,0,0|1,0,0]=2 154 B4R0.1 C(C(=O)O)N J62527 [1,0,0,0,0,0|1,0,0]=2 155 B4R0.1 C(C(=O)O)N J64365 [1,0,0,0,0,0|1,0,0]=2 156 B4R0.1 C(C(=O)O)N J67094 [1,0,0,0,0,0|1,0,0]=2 157 B4R0.1 C(C(=O)O)N J67147 [1,0,0,0,0,0|1,0,0]=2 158 B4R0.1 C(C(=O)O)N J67349 [1,0,0,0,0,0|1,0,0]=2 159 B4R0.1 C(C(=O)O)O A12511 [1,0,0,0,0,0|1,0,0]=2 160 B4R0.1 C(C(=O)O)O L14980 [1,0,0,0,0,0|1,0,0]=2 161 B4R0.1 C(C(=O)O)S B20391 [1,0,0,0,0,0|1,0,0]=2 162 B4R0.1 C(C(=O)[O-])Br L14983 [1,0,0,0,0,0|1,0,1]=3 163 B4R0.1 C(C(=O)[O-])Cl A12379 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.1 C(C(=O)[O-])O 39456 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.1 C(C(=O)[O-])O A12341 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.1 C(C(=O)[O-])S 45557 [1,0,0,0,0,0|1,0,1]=3 167 B4R0.1 C(C(=O)[O-])S L14356 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.1 C(C(F)F)O B22201 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 C(O)S(=O)[O-] A15731 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 C=C(CBr)Br A12099 [1,0,0,0,0,0|3,0,0]=4 171 B4R0.1 C=C(CCl)Cl L08943 [1,0,0,0,0,0|3,0,0]=4 172 B4R0.1 C=CC(=O)Cl L10363 [1,0,0,0,0,0|1,0,2]=4 173 B4R0.1 C=CC(=O)N 36545 [1,0,0,0,0,0|1,0,2]=4 174 B4R0.1 C=CC(=O)N A15940 [1,0,0,0,0,0|1,0,2]=4 175 B4R0.1 C=CC(=O)N A17157 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.1 C=CC(=O)N L15075 [1,0,0,0,0,0|1,0,2]=4 177 B4R0.1 C=CC(=O)O 43359 [1,0,0,0,0,0|0,0,2]=3 178 B4R0.1 C=CC(=O)O 45779 [1,0,0,0,0,0|0,0,2]=3 179 B4R0.1 C=CC(=O)O L04280 [1,0,0,0,0,0|0,0,2]=3 180 B4R0.1 C=CC(=O)[O-] 38591 [1,0,0,0,0,0|0,0,3]=4 181 B4R0.1 C=CC(=O)[O-] 41779 [1,0,0,0,0,0|0,0,3]=4 182 B4R0.1 C=CC(=O)[O-] 41780 [1,0,0,0,0,0|0,0,3]=4 183 B4R0.1 C=CC(=O)[O-] 42001 [1,0,0,0,0,0|0,0,3]=4 184 B4R0.1 C=CC(=O)[O-] 42002 [1,0,0,0,0,0|0,0,3]=4 185 B4R0.1 C=CC(=O)[O-] 42003 [1,0,0,0,0,0|0,0,3]=4 186 B4R0.1 C=CC(=O)[O-] L10079 [1,0,0,0,0,0|0,0,3]=4 187 B4R0.1 CC(=C)C=C L14619 [1,0,0,0,0,0|1,0,2]=4 188 B4R0.1 CC(=C)C=O 43124 [1,0,0,0,0,0|0,0,2]=3 189 B4R0.1 CC(=C)CCl B22674 [1,0,0,0,0,0|3,0,0]=4 190 B4R0.1 CC(=C)CO H60502 [1,0,0,0,0,0|0,0,3]=4 191 B4R0.1 CC(=C)OC B24083 [1,0,0,0,0,0|3,0,0]=4 192 B4R0.1 CC(=C=C)C L10159 [1,0,0,0,0,0|1,0,2]=4 193 B4R0.1 CC(=NO)C A10802 [1,0,0,0,0,0|1,0,1]=3 194 B4R0.1 CC(=O)C#C L05527 [1,0,0,0,0,0|1,0,2]=4 195 B4R0.1 CC(=O)C#N H66636 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.1 CC(=O)C=C A11910 [1,0,0,0,0,0|1,0,2]=4 197 B4R0.1 CC(=O)C=O B24664 [1,0,0,0,0,0|1,0,1]=3 198 B4R0.1 CC(=O)CCl A11922 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.1 CC(=O)CO L15008 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.1 CC(=O)NBr L02953 [1,0,0,0,0,0|3,0,0]=4 201 B4R0.1 CC(=O)NC A17928 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.1 CC(=O)NN A10969 [1,0,0,0,0,0|3,0,0]=4 203 B4R0.1 CC(=O)NO L01569 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.1 CC(=O)OC L14475 [1,0,0,0,0,0|2,0,0]=3 205 B4R0.1 CC(=O)SC A12400 [1,0,0,0,0,0|2,0,0]=3 206 B4R0.1 CC(C#C)O A11881 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.1 CC(C)C#C H53439 [1,0,0,0,0,0|1,0,1]=3 208 B4R0.1 CC(C)C#N L14470 [1,0,0,0,0,0|1,0,1]=3 209 B4R0.1 CC(C)C=O A12106 [1,0,0,0,0,0|0,0,0]=1 210 B4R0.1 CC(C)CBr B23854 [1,0,0,0,0,0|1,0,1]=3 211 B4R0.1 CC(C)CCl L04181 [1,0,0,0,0,0|1,0,1]=3 212 B4R0.1 CC(C)CI A15883 [1,0,0,0,0,0|1,0,1]=3 213 B4R0.1 CC(C)CN A11017 [1,0,0,0,0,0|1,0,1]=3 214 B4R0.1 CC(C)CO 22908 [1,0,0,0,0,0|0,0,1]=2 215 B4R0.1 CC(C)CO 32433 [1,0,0,0,0,0|0,0,1]=2 216 B4R0.1 CC(C)CO 36643 [1,0,0,0,0,0|0,0,1]=2 217 B4R0.1 CC(C)CO B23091 [1,0,0,0,0,0|0,0,1]=2 218 B4R0.1 CC(C)C[O-] 89455 [1,0,0,0,0,0|0,0,2]=3 219 B4R0.1 CC(C)C[Zn+] H58145 [1,0,0,0,0,0|1,0,1]=3 220 B4R0.1 CC(C)NC H65892 [1,0,0,0,0,0|2,0,0]=3 221 B4R0.1 CC(C=C)O L14787 [1,0,0,0,0,0|2,0,0]=3 222 B4R0.1 CC(CBr)Br B22994 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.1 CC(CCl)Cl L03083 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.1 CC(CCl)O B22686 [1,0,0,0,0,0|2,0,1]=4 225 B4R0.1 CC(CN)N B24489 [1,0,0,0,0,0|2,0,1]=4 226 B4R0.1 CC(CN)O L15343 [1,0,0,0,0,0|2,0,1]=4 227 B4R0.1 CC(CO)N L03608 [1,0,0,0,0,0|1,0,1]=3 228 B4R0.1 CC(CO)O 30948 [1,0,0,0,0,0|1,0,1]=3 229 B4R0.1 CC(CO)O A18406 [1,0,0,0,0,0|1,0,1]=3 230 B4R0.1 CC=C(C)C 31853 [1,0,0,0,0,0|1,0,1]=3 231 B4R0.1 CCC(=C)Br B20067 [1,0,0,0,0,0|2,0,0]=3 232 B4R0.1 CCC(=C)C H27230 [1,0,0,0,0,0|2,0,0]=3 233 B4R0.1 CCC(=O)C 22924 [1,0,0,0,0,0|1,0,0]=2 234 B4R0.1 CCC(=O)C 31069 [1,0,0,0,0,0|1,0,0]=2 235 B4R0.1 CCC(=O)C 39119 [1,0,0,0,0,0|1,0,0]=2 236 B4R0.1 CCC(=O)C L13185 [1,0,0,0,0,0|1,0,0]=2 237 B4R0.1 CCC(=O)Cl A10940 [1,0,0,0,0,0|1,0,0]=2 238 B4R0.1 CCC(=O)N A10521 [1,0,0,0,0,0|1,0,0]=2 239 B4R0.1 CCC(=O)O L04210 [1,0,0,0,0,0|0,0,0]=1 240 B4R0.1 CCC(=O)[O-] 18865 [1,0,0,0,0,0|0,0,1]=2 241 B4R0.1 CCC(=O)[O-] A14994 [1,0,0,0,0,0|0,0,1]=2 242 B4R0.1 CCC(=O)[O-] A17440 [1,0,0,0,0,0|0,0,1]=2 243 B4R0.1 CCC(=O)[O-] B23636 [1,0,0,0,0,0|0,0,1]=2 244 B4R0.1 CCC(C)Br A15069 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.1 CCC(C)C 19387 [1,0,0,0,0,0|1,0,1]=3 246 B4R0.1 CCC(C)Cl B21586 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 CCC(C)I B20619 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.1 CCC(C)N A13014 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.1 CCC(C)O 41871 [1,0,0,0,0,0|1,0,1]=3 250 B4R0.1 CCC(C)O 43315 [1,0,0,0,0,0|1,0,1]=3 251 B4R0.1 CCC(C)O A18658 [1,0,0,0,0,0|1,0,1]=3 252 B4R0.1 CCC(C)[O-] 30721 [1,0,0,0,0,0|1,0,2]=4 253 B4R0.1 CCC(C)[O-] 43712 [1,0,0,0,0,0|1,0,2]=4 254 B4R0.1 CCC(C)[O-] A13044 [1,0,0,0,0,0|1,0,2]=4 255 B4R0.1 CCC(C)[Zn+] H58714 [1,0,0,0,0,0|2,0,1]=4 256 B4R0.1 CCN(C)C B23992 [1,0,0,0,0,0|2,0,1]=4 257 B4R0.1 CC[C@@H](C)N L03889 [1,0,0,0,0,0|2,0,1]=4 258 B4R0.1 CC[C@@H](C)O L13983 [1,0,0,0,0,0|1,0,1]=3 259 B4R0.1 CC[C@H](C)N L10069 [1,0,0,0,0,0|2,0,1]=4 260 B4R0.1 CC[C@H](C)O L14164 [1,0,0,0,0,0|1,0,1]=3 261 B4R0.1 CC[N+](=O)[O-] A10855 [1,0,0,0,0,0|1,0,1]=3 262 B4R0.1 CN(C)C=O 13808 [1,0,0,0,0,0|1,0,0]=2 263 B4R0.1 CN(C)C=O 22915 [1,0,0,0,0,0|1,0,0]=2 264 B4R0.1 CN(C)C=O 39117 [1,0,0,0,0,0|1,0,0]=2 265 B4R0.1 CN(C)C=O 41859 [1,0,0,0,0,0|1,0,0]=2 266 B4R0.1 CN(C)C=O 43465 [1,0,0,0,0,0|1,0,0]=2 267 B4R0.1 CN(C)C=O 43997 [1,0,0,0,0,0|1,0,0]=2 268 B4R0.1 CN(C)C=O A13547 [1,0,0,0,0,0|1,0,0]=2 269 B4R0.1 CN(C)C=S B24529 [1,0,0,0,0,0|1,1,0]=3 270 B4R0.1 CNC(=O)N B24772 [1,0,0,0,0,0|2,0,0]=3 271 B4R0.1 CNC(=S)N A10437 [1,0,0,0,0,0|2,1,0]=4 272 B4R0.1 COC(=N)N A14773 [1,0,0,0,0,0|3,0,0]=4 273 B4R0.1 COC(=O)N A16523 [1,0,0,0,0,0|2,0,0]=3 274 B4R0.1 CSC(=[NH2+])N A11044 [1,0,0,0,0,0|3,0,0]=4 275 B4R0.1 C[Al](C)C[Ti+] 44506 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.1 C[C@@H](C#C)O L20345 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.1 C[C@@H](CN)N H60753 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.1 C[C@@H](CN)O L14102 [1,0,0,0,0,0|2,0,1]=4 279 B4R0.1 C[C@@H](CO)N B24916 [1,0,0,0,0,0|1,0,1]=3 280 B4R0.1 C[C@@H](CO)O B21773 [1,0,0,0,0,0|1,0,1]=3 281 B4R0.1 C[C@H](C#C)O L18880 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.1 C[C@H](CN)O L14101 [1,0,0,0,0,0|2,0,1]=4 283 B4R0.1 C[C@H](CO)N L11030 [1,0,0,0,0,0|1,0,1]=3 284 B4R0.1 C[C@H](CO)O B21937 [1,0,0,0,0,0|1,0,1]=3 285 B4R0.1 C[N+](=CCl)C B24172 [1,0,0,0,0,0|2,0,0]=3 286 B4R0.1 C\C=C(\C)/Br A18058 [1,0,0,0,0,0|2,0,1]=4 287 B4R0.1 [Li]C(C)CC 43028 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.3 C(C(=O)C(=O)O)Br L00720 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.3 C(C(C(=O)Cl)Br)Br A17712 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.3 C(C(C(=O)N)Br)Br L10978 [0,1,0,0,0,0|2,0,0]=3 291 B6R0.3 C(C(C(=O)O)Br)F H31718 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.3 C(C(C(=O)O)N)N L09485 [0,1,0,0,0,0|1,0,0]=2 293 B6R0.3 C(C(C(=O)O)N)O A15184 [0,1,0,0,0,0|1,0,0]=2 294 B6R0.3 C(C(C(=O)O)N)S H25779 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.3 C(C(C(=O)O)N)S H56126 [0,1,0,0,0,0|1,0,0]=2 296 B6R0.3 C(C(C(=O)O)O)N H53412 [0,1,0,0,0,0|1,0,0]=2 297 B6R0.3 C(C(C(=O)[O-])O)O L08214 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.3 C([C@@H](C(=O)N)N)O H65169 [0,1,0,0,0,0|2,0,0]=3 299 B6R0.3 C([C@@H](C(=O)O)N)N H62128 [0,1,0,0,0,0|1,0,0]=2 300 B6R0.3 C([C@@H](C(=O)O)N)O A11179 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.3 C([C@@H](C(=O)O)N)S A10389 [0,1,0,0,0,0|1,0,0]=2 302 B6R0.3 C([C@@H](C(=O)O)N)S A10435 [0,1,0,0,0,0|1,0,0]=2 303 B6R0.3 C([C@@H](C(=O)O)N)S L06328 [0,1,0,0,0,0|1,0,0]=2 304 B6R0.3 C([C@@H](C(=O)O)O)N H60945 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.3 C([C@H](C(=O)O)N)O A11353 [0,1,0,0,0,0|1,0,0]=2 306 B6R0.3 C([C@H](C(=O)O)N)S H27107 [0,1,0,0,0,0|1,0,0]=2 307 B6R0.3 C([C@H](C(=O)O)N)S H62627 [0,1,0,0,0,0|1,0,0]=2 308 B6R0.3 CC(=C)C(=O)OC A13030 [0,1,0,0,0,0|0,0,2]=3 309 B6R0.3 CC(=O)C(=O)OC A13966 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.3 CC(=O)N(C)OC H65226 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.3 CC(C(=O)O)NC H65287 [0,1,0,0,0,0|0,0,0]=1 312 B6R0.3 CC(C(=O)OC)Br A19558 [0,1,0,0,0,0|1,0,0]=2 313 B6R0.3 CC(C(=O)OC)Cl A18541 [0,1,0,0,0,0|1,0,0]=2 314 B6R0.3 CC(C(=O)OC)N A12599 [0,1,0,0,0,0|1,0,0]=2 315 B6R0.3 CC(C(=O)OC)O H60455 [0,1,0,0,0,0|1,0,0]=2 316 B6R0.3 CC(C)C(=N)OC H63386 [0,1,0,0,0,0|1,0,0]=2 317 B6R0.3 CC(C)C(=O)OC A14070 [0,1,0,0,0,0|0,0,0]=1 318 B6R0.3 CC(C)C(C#C)O L05318 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.3 CC(C)C(C=O)Br H52334 [0,1,0,0,0,0|1,0,1]=3 320 B6R0.3 CC(C)[C@@H](CO)N L11300 [0,1,0,0,0,0|1,0,1]=3 321 B6R0.3 CC(C)[C@H](CO)N L14166 [0,1,0,0,0,0|1,0,1]=3 322 B6R0.3 CC(C)\C(=N\O)\N H50892 [0,1,0,0,0,0|1,0,0]=2 323 B6R0.3 CC(CO)C(=O)C H28483 [0,1,0,0,0,0|1,0,0]=2 324 B6R0.3 CC(CO)[N+](=O)[O-] 43843 [0,1,0,0,0,0|1,0,1]=3 325 B6R0.3 CCC(=O)C(=O)C A13116 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.3 CCC(=O)N(C)C H64850 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.3 CCC(C(=O)C)S B21797 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.3 CCC(C(=O)Cl)Cl L11207 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.3 CCC(C(=O)N)Cl B21783 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.3 CCC(C(=O)O)Br B21743 [0,1,0,0,0,0|1,0,0]=2 331 B6R0.3 CCC(C(=O)O)Cl L20083 [0,1,0,0,0,0|1,0,0]=2 332 B6R0.3 CCC(C(=O)O)N L06035 [0,1,0,0,0,0|1,0,0]=2 333 B6R0.3 CCC(C(=O)[O-])O A18636 [0,1,0,0,0,0|1,0,1]=3 334 B6R0.3 CCC(C(C)C)O L08015 [0,1,0,0,0,0|1,0,1]=3 335 B6R0.3 CCC(C)C(=O)C A19999 [0,1,0,0,0,0|1,0,0]=2 336 B6R0.3 CCC(C)C(=O)Cl B22599 [0,1,0,0,0,0|1,0,0]=2 337 B6R0.3 CCC(C)C(=O)O A11546 [0,1,0,0,0,0|0,0,0]=1 338 B6R0.3 CCC(C)C(C)C 43707 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.3 CC[C@@H](C(=O)N)N H55576 [0,1,0,0,0,0|2,0,0]=3 340 B6R0.3 CC[C@@H](C(=O)O)N L13984 [0,1,0,0,0,0|1,0,0]=2 341 B6R0.3 CC[C@H](C(=O)O)N L14096 [0,1,0,0,0,0|1,0,0]=2 342 B6R0.3 CN(C)C(=O)C=C 42405 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.3 CN(C)C(=O)CCl H50229 [0,1,0,0,0,0|2,0,0]=3 344 B6R0.3 CN(C)C(=O)CN H50293 [0,1,0,0,0,0|2,0,0]=3 345 B6R0.3 CN(C)C(=S)NN L10337 [0,1,0,0,0,0|2,1,0]=4 346 B6R0.3 CNC(=O)N(C)C 16475 [0,1,0,0,0,0|2,0,0]=3 347 B6R0.3 COC(=O)C(=C)F H61343 [0,1,0,0,0,0|1,0,2]=4 348 B6R0.3 COC(=O)C(=O)Cl L13258 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.3 COC(=O)C(Cl)Cl B24399 [0,1,0,0,0,0|2,0,0]=3 350 B6R0.3 COC(=O)C(F)F B22197 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.3 C[C@@H](C(=O)O)NC H60103 [0,1,0,0,0,0|0,0,0]=1 352 B6R0.3 C[C@@H](C(=O)OC)N A10178 [0,1,0,0,0,0|1,0,0]=2 353 B6R0.3 C[C@@H](C(=O)OC)O B24468 [0,1,0,0,0,0|1,0,0]=2 354 B6R0.3 C[C@H](C(=O)O)NC H65840 [0,1,0,0,0,0|0,0,0]=1 355 B6R0.3 C[C@H](C(=O)OC)N H62472 [0,1,0,0,0,0|1,0,0]=2 356 B6R0.3 C\C(=N/O)\C(=O)C A14339 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.3 C\C=C(/C)\C(=O)C L13548 [0,1,0,0,0,0|1,0,1]=3 358 B6R0.3 C\C=C(/C)\C(=O)O A13905 [0,1,0,0,0,0|0,0,1]=2 359 B6R0.7 C(=O)(C(Br)(Br)Br)O B24367 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.7 C(=O)(C(Cl)(Cl)Cl)Cl B21675 [0,1,0,0,0,0|3,0,0]=4 361 B6R0.7 C(=O)(C(Cl)(Cl)Cl)N L00411 [0,1,0,0,0,0|3,0,0]=4 362 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O 22156 [0,1,0,0,0,0|2,0,0]=3 363 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A11156 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.7 C(=O)(C(Cl)(Cl)Cl)[O-] A17004 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.7 C(=O)(C(F)(F)Cl)N L00785 [0,1,0,0,0,0|3,0,0]=4 366 B6R0.7 C(=O)(C(F)(F)Cl)O A14369 [0,1,0,0,0,0|2,0,0]=3 367 B6R0.7 C(=O)(C(F)(F)Cl)[O-] A15756 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.7 C(=O)(C(F)(F)F)N A14451 [0,1,0,0,0,0|3,0,0]=4 369 B6R0.7 C(=O)(C(F)(F)F)O 31771 [0,1,0,0,0,0|2,0,0]=3 370 B6R0.7 C(=O)(C(F)(F)F)O 44630 [0,1,0,0,0,0|2,0,0]=3 371 B6R0.7 C(=O)(C(F)(F)F)O A12198 [0,1,0,0,0,0|2,0,0]=3 372 B6R0.7 C(=O)(C(F)(F)F)O A14365 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.7 C(=O)(C(F)(F)F)O L06374 [0,1,0,0,0,0|2,0,0]=3 374 B6R0.7 C(=O)(C(F)(F)F)[O-] 13933 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.7 C(=O)(C(F)(F)F)[O-] 17553 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.7 C(=O)(C(F)(F)F)[O-] 18686 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.7 C(=O)(C(F)(F)F)[O-] 39448 [0,1,0,0,0,0|2,0,1]=4 378 B6R0.7 C(=O)(C(F)(F)F)[O-] 43643 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.7 C(=O)(C(F)(F)F)[O-] 44046 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.7 C(=O)(C(F)(F)F)[O-] 44596 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.7 C(=O)(C(F)(F)F)[O-] 44597 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.7 C(=O)(C(F)(F)F)[O-] 44624 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.7 C(=O)(C(F)(F)F)[O-] 44633 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.7 C(=O)(C(F)(F)F)[O-] 44634 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.7 C(=O)(C(F)(F)F)[O-] 87913 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.7 C(=O)(C(F)(F)F)[O-] 88132 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.7 C(=O)(C(F)(F)F)[O-] 88938 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.7 C(=O)(C(F)(F)F)[O-] A14613 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.7 C(=O)(C(F)(F)F)[O-] A17398 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.7 C(=O)(C(F)(F)F)[O-] A18381 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.7 C(=O)(C(F)(F)F)[O-] H26577 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.7 C(=O)(C(F)(F)F)[O-] L16801 [0,1,0,0,0,0|2,0,1]=4 393 B6R0.7 CC(=O)C(C)(C)C A10289 [0,1,0,0,0,0|1,0,0]=2 394 B6R0.7 CC(=O)C(C)(C)O 43724 [0,1,0,0,0,0|1,0,0]=2 395 B6R0.7 CC(=O)C(F)(F)F A13556 [0,1,0,0,0,0|3,0,0]=4 396 B6R0.7 CC(C(=O)O)(F)F H26030 [0,1,0,0,0,0|1,0,0]=2 397 B6R0.7 CC(C(C)(C)C)N A11530 [0,1,0,0,0,0|2,0,1]=4 398 B6R0.7 CC(C(C)(C)C)O 43725 [0,1,0,0,0,0|1,0,1]=3 399 B6R0.7 CC(C)(C(=O)Br)Br B24249 [0,1,0,0,0,0|1,0,0]=2 400 B6R0.7 CC(C)(C(=O)O)Br A15854 [0,1,0,0,0,0|0,0,0]=1 401 B6R0.7 CC(C)(C(=O)O)F H25837 [0,1,0,0,0,0|0,0,0]=1 402 B6R0.7 CC(C)(C(=O)O)N A13021 [0,1,0,0,0,0|0,0,0]=1 403 B6R0.7 CC(C)(C(=O)O)O A13146 [0,1,0,0,0,0|0,0,0]=1 404 B6R0.7 CC(C)(C)C(=N)N A10613 [0,1,0,0,0,0|2,0,0]=3 405 B6R0.7 CC(C)(C)C(=O)Cl A15051 [0,1,0,0,0,0|1,0,0]=2 406 B6R0.7 CC(C)(C)C(=O)N A11319 [0,1,0,0,0,0|1,0,0]=2 407 B6R0.7 CC(C)(C)C(=O)O A10776 [0,1,0,0,0,0|0,0,0]=1 408 B6R0.7 CC(C)(C)C(=O)[O-] 46685 [0,1,0,0,0,0|0,0,1]=2 409 B6R0.7 CC(C)(C)C(=O)[O-] H62803 [0,1,0,0,0,0|0,0,1]=2 410 B6R0.7 CC(C)(C)C(=S)N H32092 [0,1,0,0,0,0|1,1,0]=3 411 B6R0.7 CC(C)(C)P(Cl)Cl H27360 [0,1,0,0,0,0|3,0,0]=4 412 B6R0.7 CC(C)(C)S(=O)C L11081 [0,1,0,0,0,0|2,0,0]=3 413 B6R0.7 CC(C)(C)S(=O)N B25385 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.7 CC(C)(C)[N+](=O)[O-] A19608 [0,1,0,0,0,0|1,0,1]=3 415 B6R0.7 CC(C)(C)[S@@](=O)N H27724 [0,1,0,0,0,0|2,0,0]=3 416 B6R0.7 CC(C)(C)[S@](=O)N H27115 [0,1,0,0,0,0|2,0,0]=3 417 B6R0.7 CC(C)([N+](=O)[O-])Br A18385 [0,1,0,0,0,0|1,0,1]=3 418 B6R0.7 CC(C)P(=O)(Cl)Cl H27109 [0,1,0,0,0,0|2,0,0]=3 419 B6R0.7 CC(C)S(=O)(=O)Cl L02431 [0,1,0,0,0,0|1,0,1]=3 420 B6R0.7 CN(C)P(=O)(Cl)Cl L07231 [0,1,0,0,0,0|3,0,0]=4 421 B6R0.7 CN(C)S(=O)(=O)C A14454 [0,1,0,0,0,0|2,0,1]=4 422 B6R0.7 C[C@@H](C(C)(C)C)N L16327 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.7 C[C@H](C(C)(C)C)N L16326 [0,1,0,0,0,0|2,0,1]=4 424 B6R1.11 B(C1CC1)(O)O H26254 [0,0,0,1,0,0|1,0,1]=3 425 B6R1.11 C1CC1C(=N)N B20185 [0,0,0,1,0,0|2,0,0]=3 426 B6R1.11 C1CC1C(=O)Cl A11948 [0,0,0,1,0,0|1,0,0]=2 427 B6R1.11 C1CC1C(=O)N B21871 [0,0,0,1,0,0|1,0,0]=2 428 B6R1.11 C1CC1C(=O)O A14215 [0,0,0,1,0,0|0,0,0]=1 429 B6R1.11 C1CC1C(=S)N H32315 [0,0,0,1,0,0|1,1,0]=3 430 B6R1.11 CC(=O)C1CC1 A13540 [0,0,0,1,0,0|1,0,0]=2 431 B6R1.11 CC(C)C1CO1 L19291 [0,0,0,1,0,0|1,0,1]=3 432 B6R1.11 C[C@@H](C1CC1)N H27499 [0,0,0,1,0,0|2,0,1]=4 433 B6R1.11 C[C@H](C1CC1)N H26902 [0,0,0,1,0,0|2,0,1]=4 434 B6R0.2 B(CC(C)C)(O)O H27698 [0,0,0,0,0,1|1,0,1]=3 435 B6R0.2 C(C(=O)O)C(=O)O 31715 [0,0,0,0,0,1|2,0,1]=4 436 B6R0.2 C(C(=O)O)C(=O)O A11526 [0,0,0,0,0,1|2,0,1]=4 437 B6R0.2 CC(=C)OC(=O)C A15618 [0,0,0,0,0,1|1,0,2]=4 438 B6R0.2 CC(=CC(=C)C)C H35300 [0,0,0,0,0,1|2,0,1]=4 439 B6R0.2 CC(=CC(=O)C)C A15111 [0,0,0,0,0,1|1,0,1]=3 440 B6R0.2 CC(=CC(=O)O)C A16865 [0,0,0,0,0,1|0,0,1]=2 441 B6R0.2 CC(=O)CC(=O)C A14117 [0,0,0,0,0,1|2,0,1]=4 442 B6R0.2 CC(=O)NC(=O)N L08343 [0,0,0,0,0,1|2,0,1]=4 443 B6R0.2 CC(=O)OC(=O)C 36292 [0,0,0,0,0,1|2,0,1]=4 444 B6R0.2 CC(=O)OC(=O)C L04295 [0,0,0,0,0,1|2,0,1]=4 445 B6R0.2 CC(=O)[CH-]C(=O)C 30529 [0,0,0,0,0,1|2,0,1]=4 446 B6R0.2 CC(C)CC(=C)C B20002 [0,0,0,0,0,1|2,0,0]=3 447 B6R0.2 CC(C)CC(=O)C 33346 [0,0,0,0,0,1|1,0,0]=2 448 B6R0.2 CC(C)CC(=O)C 43170 [0,0,0,0,0,1|1,0,0]=2 449 B6R0.2 CC(C)CC(=O)C A11618 [0,0,0,0,0,1|1,0,0]=2 450 B6R0.2 CC(C)CC(=O)Cl B24002 [0,0,0,0,0,1|1,0,0]=2 451 B6R0.2 CC(C)CC(=O)N L09072 [0,0,0,0,0,1|1,0,0]=2 452 B6R0.2 CC(C)CC(=O)O A18642 [0,0,0,0,0,1|0,0,0]=1 453 B6R0.2 CC(C)CC(C)C L03570 [0,0,0,0,0,1|2,0,1]=4 454 B6R0.2 CC(C)CC(C)O A13435 [0,0,0,0,0,1|1,0,1]=3 455 B6R0.2 CC(C)NC(=S)N L12605 [0,0,0,0,0,1|1,1,0]=3 456 B6R0.2 CC(C)NC(C)C A10280 [0,0,0,0,0,1|2,0,1]=4 457 B6R0.2 CC(C)NC(C)C H61341 [0,0,0,0,0,1|2,0,1]=4 458 B6R0.2 CC(C)OC(=O)C L09337 [0,0,0,0,0,1|1,0,0]=2 459 B6R0.2 CC(C)O[N+](=O)[O-] H60247 [0,0,0,0,0,1|1,0,1]=3 460 B6R0.2 CC(C)SC(C)C B21302 [0,0,0,0,0,1|2,0,1]=4 461 B6R0.2 CC(C)[N-]C(C)C 47284 [0,0,0,0,0,1|2,0,1]=4 462 B6R0.2 CC(CC(=O)C)[O-] 12542 [0,0,0,0,0,1|2,0,0]=3 463 B6R0.2 CC(CC(=O)C)[O-] 44538 [0,0,0,0,0,1|2,0,0]=3 464 B6R0.2 CC(CC(=O)O)Br B25684 [0,0,0,0,0,1|1,0,0]=2 465 B6R0.2 CC(CC(=O)O)O 43354 [0,0,0,0,0,1|1,0,0]=2 466 B6R0.2 CC(CC(=O)O)O H30426 [0,0,0,0,0,1|1,0,0]=2 467 B6R0.2 CC(CC(=O)[O-])O A11613 [0,0,0,0,0,1|1,0,1]=3 468 B6R0.2 CC(CC(C)O)O L01779 [0,0,0,0,0,1|2,0,1]=4 469 B6R0.2 CC(CN(C)C)O B24234 [0,0,0,0,0,1|2,0,1]=4 470 B6R0.2 CC(OC(=O)Cl)Cl L14197 [0,0,0,0,0,1|2,0,0]=3 471 B6R0.2 CC([O-])CC(=O)C 46727 [0,0,0,0,0,1|2,0,0]=3 472 B6R0.2 CN(C)CC(=O)Cl L18475 [0,0,0,0,0,1|2,0,0]=3 473 B6R0.2 CN(C)CC(=O)O A18892 [0,0,0,0,0,1|1,0,0]=2 474 B6R0.2 CN(C)CC(=O)O A19670 [0,0,0,0,0,1|1,0,0]=2 475 B6R0.2 C[C@@H](CC(C)C)O L18882 [0,0,0,0,0,1|1,0,1]=3 476 B6R0.2 C[C@@H](C[C@H](C)O)O H36013 [0,0,0,0,0,1|2,0,1]=4 477 B6R0.2 C[C@H](CC(C)C)O L18881 [0,0,0,0,0,1|1,0,1]=3 478 B6R0.2 C\C(=C/C(=O)C)\[O-] H55532 [0,0,0,0,0,1|2,0,1]=4 479 B6R0.2 C\C(=C\C(=O)C)\N L08379 [0,0,0,0,0,1|2,0,1]=4 480 B6R0.2 C\C(=C\C(=O)C)\[O-] 10514 [0,0,0,0,0,1|2,0,1]=4 481 B6R0.2 C\C(=C\C(=O)C)\[O-] 10517 [0,0,0,0,0,1|2,0,1]=4 482 B6R0.2 C\C(=C\C(=O)C)\[O-] 10526 [0,0,0,0,0,1|2,0,1]=4 483 B6R0.2 C\C(=C\C(=O)C)\[O-] 10568 [0,0,0,0,0,1|2,0,1]=4 484 B6R0.2 C\C(=C\C(=O)C)\[O-] 12527 [0,0,0,0,0,1|2,0,1]=4 485 B6R0.2 C\C(=C\C(=O)C)\[O-] 12530 [0,0,0,0,0,1|2,0,1]=4 486 B6R0.2 C\C(=C\C(=O)C)\[O-] 12532 [0,0,0,0,0,1|2,0,1]=4 487 B6R0.2 C\C(=C\C(=O)C)\[O-] 12534 [0,0,0,0,0,1|2,0,1]=4 488 B6R0.2 C\C(=C\C(=O)C)\[O-] 12535 [0,0,0,0,0,1|2,0,1]=4 489 B6R0.2 C\C(=C\C(=O)C)\[O-] 12536 [0,0,0,0,0,1|2,0,1]=4 490 B6R0.2 C\C(=C\C(=O)C)\[O-] 12537 [0,0,0,0,0,1|2,0,1]=4 491 B6R0.2 C\C(=C\C(=O)C)\[O-] 12538 [0,0,0,0,0,1|2,0,1]=4 492 B6R0.2 C\C(=C\C(=O)C)\[O-] 13794 [0,0,0,0,0,1|2,0,1]=4 493 B6R0.2 C\C(=C\C(=O)C)\[O-] 14065 [0,0,0,0,0,1|2,0,1]=4 494 B6R0.2 C\C(=C\C(=O)C)\[O-] 14614 [0,0,0,0,0,1|2,0,1]=4 495 B6R0.2 C\C(=C\C(=O)C)\[O-] 18811 [0,0,0,0,0,1|2,0,1]=4 496 B6R0.2 C\C(=C\C(=O)C)\[O-] 22940 [0,0,0,0,0,1|2,0,1]=4 497 B6R0.2 C\C(=C\C(=O)C)\[O-] 30526 [0,0,0,0,0,1|2,0,1]=4 498 B6R0.2 C\C(=C\C(=O)C)\[O-] 30532 [0,0,0,0,0,1|2,0,1]=4 499 B6R0.2 C\C(=C\C(=O)C)\[O-] 39288 [0,0,0,0,0,1|2,0,1]=4 500 B6R0.2 C\C(=C\C(=O)C)\[O-] 39295 [0,0,0,0,0,1|2,0,1]=4 501 B6R0.2 C\C(=C\C(=O)C)\[O-] 39411 [0,0,0,0,0,1|2,0,1]=4 502 B6R0.2 C\C(=C\C(=O)C)\[O-] 39630 [0,0,0,0,0,1|2,0,1]=4 503 B6R0.2 C\C(=C\C(=O)C)\[O-] 41968 [0,0,0,0,0,1|2,0,1]=4 504 B6R0.2 C\C(=C\C(=O)C)\[O-] 42463 [0,0,0,0,0,1|2,0,1]=4 505 B6R0.2 C\C(=C\C(=O)C)\[O-] 44140 [0,0,0,0,0,1|2,0,1]=4 506 B6R0.2 C\C(=C\C(=O)C)\[O-] 78113 [0,0,0,0,0,1|2,0,1]=4 507 B6R0.2 C\C(=C\C(=O)C)\[O-] 81119 [0,0,0,0,0,1|2,0,1]=4 508 B6R0.2 C\C(=C\C(=O)C)\[O-] 89360 [0,0,0,0,0,1|2,0,1]=4 509 B6R0.2 C\C(=C\C(=O)C)\[O-] 89858 [0,0,0,0,0,1|2,0,1]=4 510 B6R0.2 C\C(=C\C(=O)C)\[O-] A14920 [0,0,0,0,0,1|2,0,1]=4 511 B6R0.2 C\C(=C\C(=O)C)\[O-] A18762 [0,0,0,0,0,1|2,0,1]=4 512 B6R0.2 C\C(=C\C(=O)C)\[O-] B24009 [0,0,0,0,0,1|2,0,1]=4 513 B6R0.2 C\C(=C\C(=O)C)\[O-] B24165 [0,0,0,0,0,1|2,0,1]=4 514 B6R0.2 C\C(=C\C(=O)C)\[O-] H55131 [0,0,0,0,0,1|2,0,1]=4 515 B6R0.2 C\C(=C\C(=O)C)\[O-] H60380 [0,0,0,0,0,1|2,0,1]=4 516 B3R0.1 C(=O)C=O A16144 [2,0,0,0,0,0|1,0,1]=4 517 B3R0.1 C(=O)NN A14901 [2,0,0,0,0,0|2,0,0]=4 518 B3R0.1 C(C=O)Cl A11037 [2,0,0,0,0,0|1,0,0]=3 519 B3R0.1 C(C=O)Cl L12701 [2,0,0,0,0,0|1,0,0]=3 520 B3R0.1 C(CBr)O A10275 [2,0,0,0,0,0|1,0,1]=4 521 B3R0.1 C(CCl)O 36636 [2,0,0,0,0,0|1,0,1]=4 522 B3R0.1 C(CF)O L01735 [2,0,0,0,0,0|1,0,1]=4 523 B3R0.1 C(CI)O A14658 [2,0,0,0,0,0|1,0,1]=4 524 B3R0.1 C(CO)N 22793 [2,0,0,0,0,0|1,0,1]=4 525 B3R0.1 C(CO)N 36260 [2,0,0,0,0,0|1,0,1]=4 526 B3R0.1 C(CO)N A11697 [2,0,0,0,0,0|1,0,1]=4 527 B3R0.1 C(CO)N L14322 [2,0,0,0,0,0|1,0,1]=4 528 B3R0.1 C(CO)O 44529 [2,0,0,0,0,0|1,0,1]=4 529 B3R0.1 C(CO)O A11591 [2,0,0,0,0,0|1,0,1]=4 530 B3R0.1 C(CS)O A15890 [2,0,0,0,0,0|1,0,1]=4 531 B3R0.1 C=CC=O 36520 [2,0,0,0,0,0|0,0,2]=4 532 B3R0.1 C=CCBr A11766 [2,0,0,0,0,0|2,0,0]=4 533 B3R0.1 C=CCCl A14330 [2,0,0,0,0,0|2,0,0]=4 534 B3R0.1 C=CCI A11822 [2,0,0,0,0,0|2,0,0]=4 535 B3R0.1 C=CCN L07162 [2,0,0,0,0,0|2,0,0]=4 536 B3R0.1 C=CCO A15026 [2,0,0,0,0,0|2,0,0]=4 537 B3R0.1 C=CCS A13616 [2,0,0,0,0,0|2,0,0]=4 538 B3R0.1 C=CC[Mg+] H51170 [2,0,0,0,0,0|2,0,0]=4 539 B3R0.1 C=CC[Zn+] H58012 [2,0,0,0,0,0|2,0,0]=4 540 B3R0.1 CCC#N A13203 [2,0,0,0,0,0|1,0,1]=4 541 B3R0.1 CCC=O A16146 [2,0,0,0,0,0|0,0,0]=2 542 B3R0.1 CCCBr A10461 [2,0,0,0,0,0|1,0,1]=4 543 B3R0.1 CCCI A14388 [2,0,0,0,0,0|1,0,1]=4 544 B3R0.1 CCCN 36635 [2,0,0,0,0,0|1,0,1]=4 545 B3R0.1 CCCN A11606 [2,0,0,0,0,0|1,0,1]=4 546 B3R0.1 CCCO 22932 [2,0,0,0,0,0|0,0,1]=3 547 B3R0.1 CCCO 22933 [2,0,0,0,0,0|0,0,1]=3 548 B3R0.1 CCCO 41465 [2,0,0,0,0,0|0,0,1]=3 549 B3R0.1 CCCO 41842 [2,0,0,0,0,0|0,0,1]=3 550 B3R0.1 CCCO 43848 [2,0,0,0,0,0|0,0,1]=3 551 B3R0.1 CCCO A19902 [2,0,0,0,0,0|0,0,1]=3 552 B3R0.1 CCCS 43420 [2,0,0,0,0,0|0,1,1]=4 553 B3R0.1 CCC[Mg+] H51162 [2,0,0,0,0,0|1,0,1]=4 554 B3R0.1 CCC[O-] 22989 [2,0,0,0,0,0|0,0,2]=4 555 B3R0.1 CCC[O-] 36571 [2,0,0,0,0,0|0,0,2]=4 556 B3R0.1 CCC[O-] 44673 [2,0,0,0,0,0|0,0,2]=4 557 B3R0.1 CCC[O-] 44770 [2,0,0,0,0,0|0,0,2]=4 558 B3R0.1 CCC[S-] H66135 [2,0,0,0,0,0|0,1,1]=4 559 B3R0.1 CCC[Zn+] H58119 [2,0,0,0,0,0|1,0,1]=4 560 B3R0.1 CCNC L04372 [2,0,0,0,0,0|2,0,0]=4 561 B3R0.1 CCSC L02859 [2,0,0,0,0,0|2,0,0]=4 562 B3R0.1 CN=C=O L19476 [2,0,0,0,0,0|1,0,1]=4 563 B3R0.1 CNC=O L03908 [2,0,0,0,0,0|1,0,0]=3 564 B3R0.1 COC=O A15850 [2,0,0,0,0,0|1,0,0]=3 565 B3R0.1 C\C=N\O A10640 [2,0,0,0,0,0|1,0,1]=4 566 B3R0.2 B(C)(C)Br 33552 [2,0,0,0,0,0|2,0,0]=4 567 B3R0.2 B(C)(C)C L14994 [2,0,0,0,0,0|1,0,1]=4 568 B3R0.2 B(C)(O)O L15589 [2,0,0,0,0,0|1,0,1]=4 569 B3R0.2 C(=O)(N)N 36428 [2,0,0,0,0,0|2,0,0]=4 570 B3R0.2 C(=O)(N)N 36429 [2,0,0,0,0,0|2,0,0]=4 571 B3R0.2 C(=O)(N)N A12360 [2,0,0,0,0,0|2,0,0]=4 572 B3R0.2 C(=O)(O)[O-] 44042 [2,0,0,0,0,0|1,0,0]=3 573 B3R0.2 C(=O)(O)[O-] 45082 [2,0,0,0,0,0|1,0,0]=3 574 B3R0.2 C(=O)(O)[O-] A12429 [2,0,0,0,0,0|1,0,0]=3 575 B3R0.2 C(=O)(O)[O-] A12483 [2,0,0,0,0,0|1,0,0]=3 576 B3R0.2 C(=O)(O)[O-] A14590 [2,0,0,0,0,0|1,0,0]=3 577 B3R0.2 C(=O)(O)[O-] A17005 [2,0,0,0,0,0|1,0,0]=3 578 B3R0.2 C(=O)(O)[O-] A18566 [2,0,0,0,0,0|1,0,0]=3 579 B3R0.2 C(=O)([O-])[O-] 11420 [2,0,0,0,0,0|1,0,1]=4 580 B3R0.2 C(=O)([O-])[O-] 18202 [2,0,0,0,0,0|1,0,1]=4 581 B3R0.2 C(=O)([O-])[O-] A12240 [2,0,0,0,0,0|1,0,1]=4 582 B3R0.2 C(=O)([O-])[O-] A12994 [2,0,0,0,0,0|1,0,1]=4 583 B3R0.2 C(=O)([O-])[O-] A13195 [2,0,0,0,0,0|1,0,1]=4 584 B3R0.2 C(=O)([O-])[O-] A13955 [2,0,0,0,0,0|1,0,1]=4 585 B3R0.2 C(=O)([O-])[O-] A15812 [2,0,0,0,0,0|1,0,1]=4 586 B3R0.2 C(=O)([O-])[O-] A16625 [2,0,0,0,0,0|1,0,1]=4 587 B3R0.2 C(=O)([O-])[O-] A17209 [2,0,0,0,0,0|1,0,1]=4 588 B3R0.2 C(=O)([O-])[O-] A17484 [2,0,0,0,0,0|1,0,1]=4 589 B3R0.2 C(=O)([O-])[O-] A18070 [2,0,0,0,0,0|1,0,1]=4 590 B3R0.2 C(=O)([O-])[O-] L13098 [2,0,0,0,0,0|1,0,1]=4 591 B3R0.2 C(=O)([O-])[SH2+] A18912 [2,0,0,0,0,0|1,0,1]=4 592 B3R0.2 CC(=C)Br L14229 [2,0,0,0,0,0|1,0,1]=4 593 B3R0.2 CC(=C)Cl L12374 [2,0,0,0,0,0|1,0,1]=4 594 B3R0.2 CC(=N)N A16091 [2,0,0,0,0,0|2,0,0]=4 595 B3R0.2 CC(=O)Br A12485 [2,0,0,0,0,0|1,0,0]=3 596 B3R0.2 CC(=O)C 19392 [2,0,0,0,0,0|0,0,1]=3 597 B3R0.2 CC(=O)C 22928 [2,0,0,0,0,0|0,0,1]=3 598 B3R0.2 CC(=O)C 30698 [2,0,0,0,0,0|0,0,1]=3 599 B3R0.2 CC(=O)C 32451 [2,0,0,0,0,0|0,0,1]=3 600 B3R0.2 CC(=O)C 43053 [2,0,0,0,0,0|0,0,1]=3 601 B3R0.2 CC(=O)C L10407 [2,0,0,0,0,0|0,0,1]=3 602 B3R0.2 CC(=O)Cl 43262 [2,0,0,0,0,0|1,0,0]=3 603 B3R0.2 CC(=O)Cl H32616 [2,0,0,0,0,0|1,0,0]=3 604 B3R0.2 CC(=O)Cl L14013 [2,0,0,0,0,0|1,0,0]=3 605 B3R0.2 CC(=O)N A12589 [2,0,0,0,0,0|1,0,0]=3 606 B3R0.2 CC(=O)O 10994 [2,0,0,0,0,0|0,0,0]=2 607 B3R0.2 CC(=O)O 33252 [2,0,0,0,0,0|0,0,0]=2 608 B3R0.2 CC(=O)O 35566 [2,0,0,0,0,0|0,0,0]=2 609 B3R0.2 CC(=O)O 35567 [2,0,0,0,0,0|0,0,0]=2 610 B3R0.2 CC(=O)O 35569 [2,0,0,0,0,0|0,0,0]=2 611 B3R0.2 CC(=O)O 35572 [2,0,0,0,0,0|0,0,0]=2 612 B3R0.2 CC(=O)O 36289 [2,0,0,0,0,0|0,0,0]=2 613 B3R0.2 CC(=O)O 39745 [2,0,0,0,0,0|0,0,0]=2 614 B3R0.2 CC(=O)O 88556 [2,0,0,0,0,0|0,0,0]=2 615 B3R0.2 CC(=O)O A11158 [2,0,0,0,0,0|0,0,0]=2 616 B3R0.2 CC(=O)[O-] 10516 [2,0,0,0,0,0|0,0,1]=3 617 B3R0.2 CC(=O)[O-] 11660 [2,0,0,0,0,0|0,0,1]=3 618 B3R0.2 CC(=O)[O-] 12223 [2,0,0,0,0,0|0,0,1]=3 619 B3R0.2 CC(=O)[O-] 12225 [2,0,0,0,0,0|0,0,1]=3 620 B3R0.2 CC(=O)[O-] 12273 [2,0,0,0,0,0|0,0,1]=3 621 B3R0.2 CC(=O)[O-] 12351 [2,0,0,0,0,0|0,0,1]=3 622 B3R0.2 CC(=O)[O-] 12890 [2,0,0,0,0,0|0,0,1]=3 623 B3R0.2 CC(=O)[O-] 14703 [2,0,0,0,0,0|0,0,1]=3 624 B3R0.2 CC(=O)[O-] 17574 [2,0,0,0,0,0|0,0,1]=3 625 B3R0.2 CC(=O)[O-] 18239 [2,0,0,0,0,0|0,0,1]=3 626 B3R0.2 CC(=O)[O-] 19417 [2,0,0,0,0,0|0,0,1]=3 627 B3R0.2 CC(=O)[O-] 22361 [2,0,0,0,0,0|0,0,1]=3 628 B3R0.2 CC(=O)[O-] 30519 [2,0,0,0,0,0|0,0,1]=3 629 B3R0.2 CC(=O)[O-] 39610 [2,0,0,0,0,0|0,0,1]=3 630 B3R0.2 CC(=O)[O-] 39742 [2,0,0,0,0,0|0,0,1]=3 631 B3R0.2 CC(=O)[O-] 41685 [2,0,0,0,0,0|0,0,1]=3 632 B3R0.2 CC(=O)[O-] 43004 [2,0,0,0,0,0|0,0,1]=3 633 B3R0.2 CC(=O)[O-] 43086 [2,0,0,0,0,0|0,0,1]=3 634 B3R0.2 CC(=O)[O-] 44056 [2,0,0,0,0,0|0,0,1]=3 635 B3R0.2 CC(=O)[O-] 44344 [2,0,0,0,0,0|0,0,1]=3 636 B3R0.2 CC(=O)[O-] 44345 [2,0,0,0,0,0|0,0,1]=3 637 B3R0.2 CC(=O)[O-] 44433 [2,0,0,0,0,0|0,0,1]=3 638 B3R0.2 CC(=O)[O-] 44434 [2,0,0,0,0,0|0,0,1]=3 639 B3R0.2 CC(=O)[O-] 47050 [2,0,0,0,0,0|0,0,1]=3 640 B3R0.2 CC(=O)[O-] 87657 [2,0,0,0,0,0|0,0,1]=3 641 B3R0.2 CC(=O)[O-] A10316 [2,0,0,0,0,0|0,0,1]=3 642 B3R0.2 CC(=O)[O-] A11620 [2,0,0,0,0,0|0,0,1]=3 643 B3R0.2 CC(=O)[O-] A11746 [2,0,0,0,0,0|0,0,1]=3 644 B3R0.2 CC(=O)[O-] A12478 [2,0,0,0,0,0|0,0,1]=3 645 B3R0.2 CC(=O)[O-] A12909 [2,0,0,0,0,0|0,0,1]=3 646 B3R0.2 CC(=O)[O-] A13026 [2,0,0,0,0,0|0,0,1]=3 647 B3R0.2 CC(=O)[O-] A13184 [2,0,0,0,0,0|0,0,1]=3 648 B3R0.2 CC(=O)[O-] A14947 [2,0,0,0,0,0|0,0,1]=3 649 B3R0.2 CC(=O)[O-] A15551 [2,0,0,0,0,0|0,0,1]=3 650 B3R0.2 CC(=O)[O-] A16149 [2,0,0,0,0,0|0,0,1]=3 651 B3R0.2 CC(=O)[O-] A16203 [2,0,0,0,0,0|0,0,1]=3 652 B3R0.2 CC(=O)[O-] A16230 [2,0,0,0,0,0|0,0,1]=3 653 B3R0.2 CC(=O)[O-] A16321 [2,0,0,0,0,0|0,0,1]=3 654 B3R0.2 CC(=O)[O-] A16343 [2,0,0,0,0,0|0,0,1]=3 655 B3R0.2 CC(=O)[O-] A16763 [2,0,0,0,0,0|0,0,1]=3 656 B3R0.2 CC(=O)[O-] A17388 [2,0,0,0,0,0|0,0,1]=3 657 B3R0.2 CC(=O)[O-] A17414 [2,0,0,0,0,0|0,0,1]=3 658 B3R0.2 CC(=O)[O-] A17921 [2,0,0,0,0,0|0,0,1]=3 659 B3R0.2 CC(=O)[O-] A18069 [2,0,0,0,0,0|0,0,1]=3 660 B3R0.2 CC(=O)[O-] A18271 [2,0,0,0,0,0|0,0,1]=3 661 B3R0.2 CC(=O)[O-] A18374 [2,0,0,0,0,0|0,0,1]=3 662 B3R0.2 CC(=O)[O-] B23218 [2,0,0,0,0,0|0,0,1]=3 663 B3R0.2 CC(=O)[O-] B23615 [2,0,0,0,0,0|0,0,1]=3 664 B3R0.2 CC(=O)[O-] B23708 [2,0,0,0,0,0|0,0,1]=3 665 B3R0.2 CC(=O)[O-] H33734 [2,0,0,0,0,0|0,0,1]=3 666 B3R0.2 CC(=O)[O-] H34028 [2,0,0,0,0,0|0,0,1]=3 667 B3R0.2 CC(=O)[O-] L15152 [2,0,0,0,0,0|0,0,1]=3 668 B3R0.2 CC(=S)N 30638 [2,0,0,0,0,0|1,1,0]=4 669 B3R0.2 CC(=S)N A12926 [2,0,0,0,0,0|1,1,0]=4 670 B3R0.2 CC(=S)O L03305 [2,0,0,0,0,0|0,1,0]=3 671 B3R0.2 CC(=S)[O-] L05405 [2,0,0,0,0,0|0,1,1]=4 672 B3R0.2 CC(C)Br A12944 [2,0,0,0,0,0|1,0,0]=3 673 B3R0.2 CC(C)Cl L04535 [2,0,0,0,0,0|1,0,0]=3 674 B3R0.2 CC(C)I A15066 [2,0,0,0,0,0|1,0,0]=3 675 B3R0.2 CC(C)N A15044 [2,0,0,0,0,0|1,0,0]=3 676 B3R0.2 CC(C)O 19397 [2,0,0,0,0,0|0,0,0]=2 677 B3R0.2 CC(C)O 22906 [2,0,0,0,0,0|0,0,0]=2 678 B3R0.2 CC(C)O 36644 [2,0,0,0,0,0|0,0,0]=2 679 B3R0.2 CC(C)O 39194 [2,0,0,0,0,0|0,0,0]=2 680 B3R0.2 CC(C)O 40983 [2,0,0,0,0,0|0,0,0]=2 681 B3R0.2 CC(C)O 41463 [2,0,0,0,0,0|0,0,0]=2 682 B3R0.2 CC(C)O 41840 [2,0,0,0,0,0|0,0,0]=2 683 B3R0.2 CC(C)O 45648 [2,0,0,0,0,0|0,0,0]=2 684 B3R0.2 CC(C)O 45657 [2,0,0,0,0,0|0,0,0]=2 685 B3R0.2 CC(C)O 86118 [2,0,0,0,0,0|0,0,0]=2 686 B3R0.2 CC(C)O L10181 [2,0,0,0,0,0|0,0,0]=2 687 B3R0.2 CC(C)S 43422 [2,0,0,0,0,0|0,1,0]=3 688 B3R0.2 CC(C)[Mg+] 47257 [2,0,0,0,0,0|1,0,0]=3 689 B3R0.2 CC(C)[Mg+] 47266 [2,0,0,0,0,0|1,0,0]=3 690 B3R0.2 CC(C)[Mg+] 47273 [2,0,0,0,0,0|1,0,0]=3 691 B3R0.2 CC(C)[Mg+] H51155 [2,0,0,0,0,0|1,0,0]=3 692 B3R0.2 CC(C)[Mg+] H54840 [2,0,0,0,0,0|1,0,0]=3 693 B3R0.2 CC(C)[O-] 14007 [2,0,0,0,0,0|0,0,1]=3 694 B3R0.2 CC(C)[O-] 14477 [2,0,0,0,0,0|0,0,1]=3 695 B3R0.2 CC(C)[O-] 14481 [2,0,0,0,0,0|0,0,1]=3 696 B3R0.2 CC(C)[O-] 14523 [2,0,0,0,0,0|0,0,1]=3 697 B3R0.2 CC(C)[O-] 14524 [2,0,0,0,0,0|0,0,1]=3 698 B3R0.2 CC(C)[O-] 14616 [2,0,0,0,0,0|0,0,1]=3 699 B3R0.2 CC(C)[O-] 16352 [2,0,0,0,0,0|0,0,1]=3 700 B3R0.2 CC(C)[O-] 22982 [2,0,0,0,0,0|0,0,1]=3 701 B3R0.2 CC(C)[O-] 35794 [2,0,0,0,0,0|0,0,1]=3 702 B3R0.2 CC(C)[O-] 35821 [2,0,0,0,0,0|0,0,1]=3 703 B3R0.2 CC(C)[O-] 36563 [2,0,0,0,0,0|0,0,1]=3 704 B3R0.2 CC(C)[O-] 36565 [2,0,0,0,0,0|0,0,1]=3 705 B3R0.2 CC(C)[O-] 36572 [2,0,0,0,0,0|0,0,1]=3 706 B3R0.2 CC(C)[O-] 36573 [2,0,0,0,0,0|0,0,1]=3 707 B3R0.2 CC(C)[O-] 36579 [2,0,0,0,0,0|0,0,1]=3 708 B3R0.2 CC(C)[O-] 36582 [2,0,0,0,0,0|0,0,1]=3 709 B3R0.2 CC(C)[O-] 36583 [2,0,0,0,0,0|0,0,1]=3 710 B3R0.2 CC(C)[O-] 36585 [2,0,0,0,0,0|0,0,1]=3 711 B3R0.2 CC(C)[O-] 36589 [2,0,0,0,0,0|0,0,1]=3 712 B3R0.2 CC(C)[O-] 36590 [2,0,0,0,0,0|0,0,1]=3 713 B3R0.2 CC(C)[O-] 36591 [2,0,0,0,0,0|0,0,1]=3 714 B3R0.2 CC(C)[O-] 36593 [2,0,0,0,0,0|0,0,1]=3 715 B3R0.2 CC(C)[O-] 36594 [2,0,0,0,0,0|0,0,1]=3 716 B3R0.2 CC(C)[O-] 36613 [2,0,0,0,0,0|0,0,1]=3 717 B3R0.2 CC(C)[O-] 39153 [2,0,0,0,0,0|0,0,1]=3 718 B3R0.2 CC(C)[O-] 39159 [2,0,0,0,0,0|0,0,1]=3 719 B3R0.2 CC(C)[O-] 39162 [2,0,0,0,0,0|0,0,1]=3 720 B3R0.2 CC(C)[O-] 39165 [2,0,0,0,0,0|0,0,1]=3 721 B3R0.2 CC(C)[O-] 39167 [2,0,0,0,0,0|0,0,1]=3 722 B3R0.2 CC(C)[O-] 39320 [2,0,0,0,0,0|0,0,1]=3 723 B3R0.2 CC(C)[O-] 39579 [2,0,0,0,0,0|0,0,1]=3 724 B3R0.2 CC(C)[O-] 40038 [2,0,0,0,0,0|0,0,1]=3 725 B3R0.2 CC(C)[O-] 40247 [2,0,0,0,0,0|0,0,1]=3 726 B3R0.2 CC(C)[O-] 40520 [2,0,0,0,0,0|0,0,1]=3 727 B3R0.2 CC(C)[O-] 41046 [2,0,0,0,0,0|0,0,1]=3 728 B3R0.2 CC(C)[O-] 41047 [2,0,0,0,0,0|0,0,1]=3 729 B3R0.2 CC(C)[O-] 41262 [2,0,0,0,0,0|0,0,1]=3 730 B3R0.2 CC(C)[O-] 41269 [2,0,0,0,0,0|0,0,1]=3 731 B3R0.2 CC(C)[O-] 41271 [2,0,0,0,0,0|0,0,1]=3 732 B3R0.2 CC(C)[O-] 41311 [2,0,0,0,0,0|0,0,1]=3 733 B3R0.2 CC(C)[O-] 41338 [2,0,0,0,0,0|0,0,1]=3 734 B3R0.2 CC(C)[O-] 41377 [2,0,0,0,0,0|0,0,1]=3 735 B3R0.2 CC(C)[O-] 41484 [2,0,0,0,0,0|0,0,1]=3 736 B3R0.2 CC(C)[O-] 41836 [2,0,0,0,0,0|0,0,1]=3 737 B3R0.2 CC(C)[O-] 41843 [2,0,0,0,0,0|0,0,1]=3 738 B3R0.2 CC(C)[O-] 41971 [2,0,0,0,0,0|0,0,1]=3 739 B3R0.2 CC(C)[O-] 42098 [2,0,0,0,0,0|0,0,1]=3 740 B3R0.2 CC(C)[O-] 42277 [2,0,0,0,0,0|0,0,1]=3 741 B3R0.2 CC(C)[O-] 42302 [2,0,0,0,0,0|0,0,1]=3 742 B3R0.2 CC(C)[O-] 42375 [2,0,0,0,0,0|0,0,1]=3 743 B3R0.2 CC(C)[O-] 42376 [2,0,0,0,0,0|0,0,1]=3 744 B3R0.2 CC(C)[O-] 42673 [2,0,0,0,0,0|0,0,1]=3 745 B3R0.2 CC(C)[O-] 42810 [2,0,0,0,0,0|0,0,1]=3 746 B3R0.2 CC(C)[O-] 42839 [2,0,0,0,0,0|0,0,1]=3 747 B3R0.2 CC(C)[O-] 42840 [2,0,0,0,0,0|0,0,1]=3 748 B3R0.2 CC(C)[O-] 42930 [2,0,0,0,0,0|0,0,1]=3 749 B3R0.2 CC(C)[O-] 43024 [2,0,0,0,0,0|0,0,1]=3 750 B3R0.2 CC(C)[O-] 43175 [2,0,0,0,0,0|0,0,1]=3 751 B3R0.2 CC(C)[O-] 43938 [2,0,0,0,0,0|0,0,1]=3 752 B3R0.2 CC(C)[O-] 44451 [2,0,0,0,0,0|0,0,1]=3 753 B3R0.2 CC(C)[O-] 44468 [2,0,0,0,0,0|0,0,1]=3 754 B3R0.2 CC(C)[O-] 44474 [2,0,0,0,0,0|0,0,1]=3 755 B3R0.2 CC(C)[O-] 44562 [2,0,0,0,0,0|0,0,1]=3 756 B3R0.2 CC(C)[O-] 44873 [2,0,0,0,0,0|0,0,1]=3 757 B3R0.2 CC(C)[O-] 45480 [2,0,0,0,0,0|0,0,1]=3 758 B3R0.2 CC(C)[O-] 45651 [2,0,0,0,0,0|0,0,1]=3 759 B3R0.2 CC(C)[O-] 77115 [2,0,0,0,0,0|0,0,1]=3 760 B3R0.2 CC(C)[O-] 89446 [2,0,0,0,0,0|0,0,1]=3 761 B3R0.2 CC(C)[O-] 89798 [2,0,0,0,0,0|0,0,1]=3 762 B3R0.2 CC(C)[O-] A13703 [2,0,0,0,0,0|0,0,1]=3 763 B3R0.2 CC(C)[Zn+] H58536 [2,0,0,0,0,0|1,0,0]=3 764 B3R0.2 CC(Cl)Br L01910 [2,0,0,0,0,0|2,0,0]=4 765 B3R0.2 CN(C)C 42964 [2,0,0,0,0,0|1,0,1]=4 766 B3R0.2 CN(C)C 43282 [2,0,0,0,0,0|1,0,1]=4 767 B3R0.2 CN(C)C H27324 [2,0,0,0,0,0|1,0,1]=4 768 B3R0.2 CN(C)C H32899 [2,0,0,0,0,0|1,0,1]=4 769 B3R0.2 CN(C)C L00302 [2,0,0,0,0,0|1,0,1]=4 770 B3R0.2 CN(C)C L04718 [2,0,0,0,0,0|1,0,1]=4 771 B3R0.2 CP(C)C 30143 [2,0,0,0,0,0|1,0,1]=4 772 B3R0.2 CP(C)Cl 30160 [2,0,0,0,0,0|2,0,0]=4 773 B3R0.2 CS(=O)C 22914 [2,0,0,0,0,0|1,0,0]=3 774 B3R0.2 CS(=O)C 32434 [2,0,0,0,0,0|1,0,0]=3 775 B3R0.2 CS(=O)C 36480 [2,0,0,0,0,0|1,0,0]=3 776 B3R0.2 CS(=O)C 42780 [2,0,0,0,0,0|1,0,0]=3 777 B3R0.2 CS(=O)C 43998 [2,0,0,0,0,0|1,0,0]=3 778 B3R0.2 CS(=O)C A13280 [2,0,0,0,0,0|1,0,0]=3 779 B3R0.2 CS(=O)[O-] L11360 [2,0,0,0,0,0|1,0,1]=4 780 B3R0.2 C[Al](C)C 42836 [2,0,0,0,0,0|1,0,1]=4 781 B3R0.2 C[N+](=C)C A15146 [2,0,0,0,0,0|1,0,0]=3 782 B3R0.2 C[N+](=O)[O-] A11806 [2,0,0,0,0,0|1,0,1]=4 783 B3R0.2 C[Pt+](C)C 39286 [2,0,0,0,0,0|1,0,1]=4 784 B3R0.2 C[S+](C)C A12639 [2,0,0,0,0,0|1,0,1]=4 785 B3R0.2 C[S+](C)C B25098 [2,0,0,0,0,0|1,0,1]=4 786 B3R0.2 C[SiH](C)Cl A13113 [2,0,0,0,0,0|1,1,0]=4 787 B3R0.2 C[Sn+](C)C 71153 [2,0,0,0,0,0|1,0,1]=4 788 B3R0.2 C[Sn+](C)C 71166 [2,0,0,0,0,0|1,0,1]=4 789 B3R0.2 C[Sn+](C)C 71167 [2,0,0,0,0,0|1,0,1]=4 790 B3R0.2 C[Sn+](C)C H59406 [2,0,0,0,0,0|1,0,1]=4 791 B3R0.2 OI(=O)=O A11925 [2,0,0,0,0,0|2,0,0]=4 792 B3R0.2 OP(=O)=O B20932 [2,0,0,0,0,0|2,0,0]=4 793 B3R0.2 OS(=O)[O-] A16194 [2,0,0,0,0,0|2,0,0]=4 794 B3R0.2 O[Se](=O)[O-] A12173 [2,0,0,0,0,0|2,0,0]=4 795 B5R0.1 B(CCC)(O)O L19965 [1,1,0,0,0,0|1,0,1]=4 796 B5R0.1 C(=C/Cl)/C(=O)O A14798 [1,1,0,0,0,0|0,0,2]=4 797 B5R0.1 C(=C\Cl)/C(=O)O A15527 [1,1,0,0,0,0|0,0,2]=4 798 B5R0.1 C(C#N)C(=O)N A12482 [1,1,0,0,0,0|1,0,1]=4 799 B5R0.1 C(C#N)C(=O)O A11045 [1,1,0,0,0,0|0,0,1]=3 800 B5R0.1 C(CBr)C(=O)Cl A10846 [1,1,0,0,0,0|1,0,0]=3 801 B5R0.1 C(CBr)C(=O)O A11573 [1,1,0,0,0,0|0,0,0]=2 802 B5R0.1 C(CCl)C(=O)Cl B25698 [1,1,0,0,0,0|1,0,0]=3 803 B5R0.1 C(CCl)C(=O)O B21744 [1,1,0,0,0,0|0,0,0]=2 804 B5R0.1 C(CI)C(=O)O L02655 [1,1,0,0,0,0|0,0,0]=2 805 B5R0.1 C(CN)C(=O)N H65365 [1,1,0,0,0,0|1,0,0]=3 806 B5R0.1 C(CN)C(=O)O A16665 [1,1,0,0,0,0|0,0,0]=2 807 B5R0.1 C(CO)[N+](=O)[O-] A17681 [1,1,0,0,0,0|1,0,1]=4 808 B5R0.1 C(CS)C(=O)O A13261 [1,1,0,0,0,0|0,0,0]=2 809 B5R0.1 C(OC(=O)Cl)Cl L09527 [1,1,0,0,0,0|2,0,0]=4 810 B5R0.1 C=C(CCO)Br H34119 [1,1,0,0,0,0|2,0,0]=4 811 B5R0.1 C=CCC(=O)O L07557 [1,1,0,0,0,0|0,0,1]=3 812 B5R0.1 CC#CC(=O)O A15542 [1,1,0,0,0,0|0,0,1]=3 813 B5R0.1 CC#CC(C)C H53442 [1,1,0,0,0,0|1,0,1]=4 814 B5R0.1 CC(=C)CCO B23398 [1,1,0,0,0,0|2,0,0]=4 815 B5R0.1 CC(=CC=O)C B22226 [1,1,0,0,0,0|0,0,1]=3 816 B5R0.1 CC(=CCBr)C A13388 [1,1,0,0,0,0|1,0,1]=4 817 B5R0.1 CC(=CCCl)C A16545 [1,1,0,0,0,0|1,0,1]=4 818 B5R0.1 CC(=CCO)C A16089 [1,1,0,0,0,0|0,0,1]=3 819 B5R0.1 CC(=CCO)C H36436 [1,1,0,0,0,0|0,0,1]=3 820 B5R0.1 CC(=O)CC#N H64536 [1,1,0,0,0,0|1,0,1]=4 821 B5R0.1 CC(=O)CCO L11456 [1,1,0,0,0,0|1,0,0]=3 822 B5R0.1 CC(=O)CSC B24149 [1,1,0,0,0,0|1,0,0]=3 823 B5R0.1 CC(=O)NCO A13820 [1,1,0,0,0,0|2,0,0]=4 824 B5R0.1 CC(=O)OCBr H56755 [1,1,0,0,0,0|2,0,0]=4 825 B5R0.1 CC(C)CC#C L05537 [1,1,0,0,0,0|1,0,1]=4 826 B5R0.1 CC(C)CC=C 33029 [1,1,0,0,0,0|1,0,0]=3 827 B5R0.1 CC(C)CC=C L03372 [1,1,0,0,0,0|1,0,0]=3 828 B5R0.1 CC(C)CC=O A19640 [1,1,0,0,0,0|0,0,0]=2 829 B5R0.1 CC(C)CCBr A14492 [1,1,0,0,0,0|1,0,1]=4 830 B5R0.1 CC(C)CCCl L11371 [1,1,0,0,0,0|1,0,1]=4 831 B5R0.1 CC(C)CCI L05194 [1,1,0,0,0,0|1,0,1]=4 832 B5R0.1 CC(C)CCN L02260 [1,1,0,0,0,0|1,0,1]=4 833 B5R0.1 CC(C)CCO 36716 [1,1,0,0,0,0|0,0,1]=3 834 B5R0.1 CC(C)CCO L13660 [1,1,0,0,0,0|0,0,1]=3 835 B5R0.1 CC(C)CCS L09661 [1,1,0,0,0,0|0,1,1]=4 836 B5R0.1 CC(C)CC[Zn+] H58436 [1,1,0,0,0,0|1,0,1]=4 837 B5R0.1 CC(C)CNC 42947 [1,1,0,0,0,0|1,0,1]=4 838 B5R0.1 CC(C)CNN H64287 [1,1,0,0,0,0|1,0,1]=4 839 B5R0.1 CC(C)N=C=O L16105 [1,1,0,0,0,0|0,0,1]=3 840 B5R0.1 CC(C)N=C=S A11641 [1,1,0,0,0,0|0,1,1]=4 841 B5R0.1 CC(C)OC=O A17222 [1,1,0,0,0,0|0,0,0]=2 842 B5R0.1 CC(CC=C)O B20208 [1,1,0,0,0,0|2,0,0]=4 843 B5R0.1 CC(CCO)O A11684 [1,1,0,0,0,0|1,0,1]=4 844 B5R0.1 CC(COC)O 41547 [1,1,0,0,0,0|1,0,1]=4 845 B5R0.1 CC(COC)O L12694 [1,1,0,0,0,0|1,0,1]=4 846 B5R0.1 CC(COC)[O-] 41257 [1,1,0,0,0,0|1,0,1]=4 847 B5R0.1 CCCC(=C)C H53373 [1,1,0,0,0,0|2,0,0]=4 848 B5R0.1 CCCC(=O)C L13262 [1,1,0,0,0,0|1,0,0]=3 849 B5R0.1 CCCC(=O)Cl A17575 [1,1,0,0,0,0|1,0,0]=3 850 B5R0.1 CCCC(=O)N A12494 [1,1,0,0,0,0|1,0,0]=3 851 B5R0.1 CCCC(=O)O L13189 [1,1,0,0,0,0|0,0,0]=2 852 B5R0.1 CCCC(=O)[O-] A11079 [1,1,0,0,0,0|0,0,1]=3 853 B5R0.1 CCCC(C)C L03001 [1,1,0,0,0,0|1,0,1]=4 854 B5R0.1 CCCC(C)O B21217 [1,1,0,0,0,0|1,0,1]=4 855 B5R0.1 CCC[C@H](C)O L09314 [1,1,0,0,0,0|1,0,1]=4 856 B5R0.1 CCC[N+](=O)[O-] A11975 [1,1,0,0,0,0|1,0,1]=4 857 B5R0.1 CCNC(=N)N B21315 [1,1,0,0,0,0|2,0,0]=4 858 B5R0.1 CCNC(=O)C L10300 [1,1,0,0,0,0|1,0,0]=3 859 B5R0.1 CCNC(=O)N B24040 [1,1,0,0,0,0|1,0,0]=3 860 B5R0.1 CCNC(=S)N B24761 [1,1,0,0,0,0|1,1,0]=4 861 B5R0.1 CCNC(C)C L04089 [1,1,0,0,0,0|1,0,1]=4 862 B5R0.1 CCOC(=N)C A18618 [1,1,0,0,0,0|2,0,0]=4 863 B5R0.1 CCOC(=O)C 22912 [1,1,0,0,0,0|1,0,0]=3 864 B5R0.1 CCOC(=O)C 31344 [1,1,0,0,0,0|1,0,0]=3 865 B5R0.1 CCOC(=O)C 39177 [1,1,0,0,0,0|1,0,0]=3 866 B5R0.1 CCOC(=O)C 40977 [1,1,0,0,0,0|1,0,0]=3 867 B5R0.1 CCOC(=O)C L10925 [1,1,0,0,0,0|1,0,0]=3 868 B5R0.1 CCOC(=O)Cl L06311 [1,1,0,0,0,0|1,0,0]=3 869 B5R0.1 CCOC(=O)N 44804 [1,1,0,0,0,0|1,0,0]=3 870 B5R0.1 CCOC(=S)[S-] A11450 [1,1,0,0,0,0|0,2,0]=4 871 B5R0.1 CCSC(=O)C A10680 [1,1,0,0,0,0|1,0,0]=3 872 B5R0.1 CN(C)CCO B23616 [1,1,0,0,0,0|1,0,1]=4 873 B5R0.1 CNCC(=O)N H65993 [1,1,0,0,0,0|1,0,0]=3 874 B5R0.1 CNCC(=O)O A14594 [1,1,0,0,0,0|0,0,0]=2 875 B5R0.1 CNCC(=O)O B25536 [1,1,0,0,0,0|0,0,0]=2 876 B5R0.1 COCC(=O)Cl L03210 [1,1,0,0,0,0|1,0,0]=3 877 B5R0.1 COCC(=O)O B22917 [1,1,0,0,0,0|0,0,0]=2 878 B5R0.1 CSCC(=O)O B22531 [1,1,0,0,0,0|0,0,0]=2 879 B5R0.1 CSCS(=O)C L00510 [1,1,0,0,0,0|2,0,0]=4 880 B5R0.1 C[C@@H](CC=C)O B25728 [1,1,0,0,0,0|2,0,0]=4 881 B5R0.1 C[C@@H](COC)N L16325 [1,1,0,0,0,0|1,0,1]=4 882 B5R0.1 C[C@H](CC=C)O B25659 [1,1,0,0,0,0|2,0,0]=4 883 B5R0.1 C[C@H](CCO)O B25124 [1,1,0,0,0,0|1,0,1]=4 884 B5R0.1 C\C=C\C(=O)C L13031 [1,1,0,0,0,0|1,0,1]=4 885 B5R0.1 C\C=C\C(=O)Cl A13710 [1,1,0,0,0,0|1,0,1]=4 886 B5R0.1 C\C=C\C(=O)O A15765 [1,1,0,0,0,0|0,0,1]=3 887 B5R0.3 C(=O)C(C=O)Br H31030 [1,1,0,0,0,0|1,0,1]=4 888 B5R0.3 C(C(=O)CBr)Br H37325 [1,1,0,0,0,0|2,0,0]=4 889 B5R0.3 C(C(=O)CCl)Cl 22302 [1,1,0,0,0,0|2,0,0]=4 890 B5R0.3 C(C(=O)CCl)Cl A14149 [1,1,0,0,0,0|2,0,0]=4 891 B5R0.3 C(C(=O)CF)F H51145 [1,1,0,0,0,0|2,0,0]=4 892 B5R0.3 C(C(CCl)Cl)O A18444 [1,1,0,0,0,0|1,0,1]=4 893 B5R0.3 C(C(CCl)O)O A16143 [1,1,0,0,0,0|1,0,1]=4 894 B5R0.3 C(C(CO)N)O B25419 [1,1,0,0,0,0|1,0,1]=4 895 B5R0.3 C(C(CO)N)O L08426 [1,1,0,0,0,0|1,0,1]=4 896 B5R0.3 C(C(CO)O)N B22672 [1,1,0,0,0,0|1,0,1]=4 897 B5R0.3 C(C(CO)O)O 32450 [1,1,0,0,0,0|1,0,1]=4 898 B5R0.3 C(C(CO)O)O 36646 [1,1,0,0,0,0|1,0,1]=4 899 B5R0.3 C(C(CO)O)O 38988 [1,1,0,0,0,0|1,0,1]=4 900 B5R0.3 C(C(CO)O)O A16205 [1,1,0,0,0,0|1,0,1]=4 901 B5R0.3 C(C(CO)O)O J61059 [1,1,0,0,0,0|1,0,1]=4 902 B5R0.3 C(C(CO)O)O J62399 [1,1,0,0,0,0|1,0,1]=4 903 B5R0.3 C(C(CO)O)O J64719 [1,1,0,0,0,0|1,0,1]=4 904 B5R0.3 C(C(CS)O)O A18948 [1,1,0,0,0,0|1,0,1]=4 905 B5R0.3 C(C(CS)S)O L03953 [1,1,0,0,0,0|1,0,1]=4 906 B5R0.3 C([C@@H](CCl)O)O L18556 [1,1,0,0,0,0|1,0,1]=4 907 B5R0.3 C([C@@H](CO)O)N H26743 [1,1,0,0,0,0|1,0,1]=4 908 B5R0.3 C([C@H](CCl)O)O L18555 [1,1,0,0,0,0|1,0,1]=4 909 B5R0.3 CC(OC)OC A10939 [1,1,0,0,0,0|2,0,0]=4 910 B5R0.3 CCC(=C)C=O B21839 [1,1,0,0,0,0|1,0,0]=3 911 B5R0.3 CCC(=C)CC L11553 [1,1,0,0,0,0|2,0,0]=4 912 B5R0.3 CCC(=O)C=C L06829 [1,1,0,0,0,0|1,0,0]=3 913 B5R0.3 CCC(=O)CBr L12081 [1,1,0,0,0,0|1,0,0]=3 914 B5R0.3 CCC(=O)CC A15297 [1,1,0,0,0,0|1,0,0]=3 915 B5R0.3 CCC(=O)OC A14944 [1,1,0,0,0,0|0,0,0]=2 916 B5R0.3 CCC(C#C)O B24853 [1,1,0,0,0,0|1,0,1]=4 917 B5R0.3 CCC(C)C=C L11525 [1,1,0,0,0,0|1,0,0]=3 918 B5R0.3 CCC(C)C=O A19650 [1,1,0,0,0,0|0,0,0]=2 919 B5R0.3 CCC(C)CBr H27078 [1,1,0,0,0,0|1,0,1]=4 920 B5R0.3 CCC(C)CC L03133 [1,1,0,0,0,0|1,0,1]=4 921 B5R0.3 CCC(C)CO B21825 [1,1,0,0,0,0|0,0,1]=3 922 B5R0.3 CCC(C)CS B21949 [1,1,0,0,0,0|0,1,1]=4 923 B5R0.3 CCC(C)NC H27547 [1,1,0,0,0,0|1,0,1]=4 924 B5R0.3 CCC(C)OC H53427 [1,1,0,0,0,0|1,0,1]=4 925 B5R0.3 CCC(C)SC B21942 [1,1,0,0,0,0|1,0,1]=4 926 B5R0.3 CCC(C=C)O B20155 [1,1,0,0,0,0|1,0,1]=4 927 B5R0.3 CCC(CC)O L06065 [1,1,0,0,0,0|1,0,1]=4 928 B5R0.3 CCC(CO)N B24398 [1,1,0,0,0,0|1,0,1]=4 929 B5R0.3 CCN(CC)O B23302 [1,1,0,0,0,0|2,0,0]=4 930 B5R0.3 CCP(=O)CC H27768 [1,1,0,0,0,0|2,0,0]=4 931 B5R0.3 CC[C@@H](CO)N L11449 [1,1,0,0,0,0|1,0,1]=4 932 B5R0.3 CC[C@H](C)CN L14063 [1,1,0,0,0,0|1,0,1]=4 933 B5R0.3 CC[C@H](CO)N B25212 [1,1,0,0,0,0|1,0,1]=4 934 B5R0.3 CC\C(=N\O)\C L08196 [1,1,0,0,0,0|1,0,0]=3 935 B5R0.3 CC\C(=N\O)\N H50889 [1,1,0,0,0,0|1,0,0]=3 936 B5R0.3 CNC(=O)CCl H32362 [1,1,0,0,0,0|2,0,0]=4 937 B5R0.3 CNC(=O)CN H65367 [1,1,0,0,0,0|2,0,0]=4 938 B5R0.3 CNC(=O)NC B21329 [1,1,0,0,0,0|2,0,0]=4 939 B5R0.3 COC(=O)C#C A14743 [1,1,0,0,0,0|0,0,2]=4 940 B5R0.3 COC(=O)C=C A13128 [1,1,0,0,0,0|0,0,2]=4 941 B5R0.3 COC(=O)CBr A10605 [1,1,0,0,0,0|1,0,0]=3 942 B5R0.3 COC(=O)CCl A10325 [1,1,0,0,0,0|1,0,0]=3 943 B5R0.3 COC(=O)CN A14083 [1,1,0,0,0,0|1,0,0]=3 944 B5R0.3 COC(=O)CO A17870 [1,1,0,0,0,0|1,0,0]=3 945 B5R0.3 COC(=O)CS L03783 [1,1,0,0,0,0|1,0,0]=3 946 B5R0.3 COC(=O)NN A14548 [1,1,0,0,0,0|2,0,0]=4 947 B5R0.3 COC(=O)OC A13104 [1,1,0,0,0,0|1,0,0]=3 948 B5R0.3 COC(=O)SCl L04350 [1,1,0,0,0,0|1,1,0]=4 949 B5R0.3 C\C=C(/C)\C=O L08113 [1,1,0,0,0,0|0,0,1]=3 950 B5R0.4 C(=O)C(F)(F)F A13234 [1,1,0,0,0,0|2,0,0]=4 951 B5R0.4 C(N)P(=O)(O)O L09833 [1,1,0,0,0,0|2,0,0]=4 952 B5R0.4 C(N)S(=O)(=O)O B23441 [1,1,0,0,0,0|2,0,0]=4 953 B5R0.4 CC(C)(C#C)Cl B25252 [1,1,0,0,0,0|1,0,1]=4 954 B5R0.4 CC(C)(C#C)N H53448 [1,1,0,0,0,0|1,0,1]=4 955 B5R0.4 CC(C)(C#C)O L07593 [1,1,0,0,0,0|1,0,1]=4 956 B5R0.4 CC(C)(C)C#C A14013 [1,1,0,0,0,0|1,0,1]=4 957 B5R0.4 CC(C)(C)C#N A12011 [1,1,0,0,0,0|1,0,1]=4 958 B5R0.4 CC(C)(C)C=C L08693 [1,1,0,0,0,0|1,0,0]=3 959 B5R0.4 CC(C)(C)C=O A15013 [1,1,0,0,0,0|0,0,0]=2 960 B5R0.4 CC(C)(C)C=O B21393 [1,1,0,0,0,0|0,0,0]=2 961 B5R0.4 CC(C)(C)CBr L03579 [1,1,0,0,0,0|1,0,1]=4 962 B5R0.4 CC(C)(C)CCl L02365 [1,1,0,0,0,0|1,0,1]=4 963 B5R0.4 CC(C)(C)CO A14390 [1,1,0,0,0,0|0,0,1]=3 964 B5R0.4 CC(C)(C)C[Mg+] H54879 [1,1,0,0,0,0|1,0,1]=4 965 B5R0.4 CC(C)(C)NC H27242 [1,1,0,0,0,0|2,0,0]=4 966 B5R0.4 CC(C)(C)NN B23876 [1,1,0,0,0,0|2,0,0]=4 967 B5R0.4 CC(C)(C)OC 40477 [1,1,0,0,0,0|2,0,0]=4 968 B5R0.4 CC(C)(C)OC 41839 [1,1,0,0,0,0|2,0,0]=4 969 B5R0.4 CC(C)(C)OC L14030 [1,1,0,0,0,0|2,0,0]=4 970 B5R0.4 CC(C)(C)OO A13926 [1,1,0,0,0,0|1,0,0]=3 971 B5R0.4 CC(C)(C)SC B22390 [1,1,0,0,0,0|2,0,0]=4 972 B5R0.4 CC(C)(C)[N+]#[C-] L19747 [1,1,0,0,0,0|2,0,0]=4 973 B5R0.4 CC(C)(C=C)O B20790 [1,1,0,0,0,0|1,0,0]=3 974 B5R0.4 CC(C)(CCl)Br A19974 [1,1,0,0,0,0|1,0,1]=4 975 B5R0.4 CC(C)(CCl)O A18978 [1,1,0,0,0,0|1,0,1]=4 976 B5R0.4 CC(C)(CO)N A17814 [1,1,0,0,0,0|0,0,1]=3 977 B5R0.4 CCC(C)(C)C L03295 [1,1,0,0,0,0|1,0,1]=4 978 B5R0.4 CCC(C)(C)Cl A11703 [1,1,0,0,0,0|1,0,1]=4 979 B5R0.4 CCC(C)(C)N B24639 [1,1,0,0,0,0|1,0,1]=4 980 B5R0.4 CCC(C)(C)O A18304 [1,1,0,0,0,0|1,0,1]=4 981 B5R0.4 CCC(C)(C)[Mg+] H54824 [1,1,0,0,0,0|1,0,1]=4 982 B5R0.4 CCC(C)(C)[O-] 36562 [1,1,0,0,0,0|1,0,1]=4 983 B5R0.4 CCC(C)(C)[O-] 41203 [1,1,0,0,0,0|1,0,1]=4 984 B5R0.4 CCC(C)(C)[O-] 41394 [1,1,0,0,0,0|1,0,1]=4 985 B5R0.4 CCC(C)(C)[O-] L15111 [1,1,0,0,0,0|1,0,1]=4 986 B5R0.4 CCC(C)(C)[O-] L15112 [1,1,0,0,0,0|1,0,1]=4 987 B5R0.4 CCC(C)(C)[Zn+] H58312 [1,1,0,0,0,0|1,0,1]=4 988 B5R0.4 CCP(=O)(Cl)Cl A17869 [1,1,0,0,0,0|2,0,0]=4 989 B5R0.4 CCP(=O)(O)O B22559 [1,1,0,0,0,0|1,0,0]=3 990 B5R0.4 CCS(=O)(=O)Cl B23723 [1,1,0,0,0,0|1,0,1]=4 991 B5R0.4 CCS(=O)(=O)O 14891 [1,1,0,0,0,0|1,0,0]=3 992 B5R0.4 CCS(=O)(=O)O L02270 [1,1,0,0,0,0|1,0,0]=3 993 B5R0.4 CCS(=O)(=O)[O-] B21824 [1,1,0,0,0,0|1,0,1]=4 994 B5R0.4 C[Si](C)(C)C=C L02498 [1,1,0,0,0,0|1,1,0]=4 995 B5R0.4 C[Si](C)(C)C=C L16989 [1,1,0,0,0,0|1,1,0]=4 996 B5R0.4 C[Si](C)(C)CO L04251 [1,1,0,0,0,0|0,1,1]=4 997 B5R0.4 C[Si](C)(C=C)Cl L16198 [1,1,0,0,0,0|1,1,0]=4 998 B7R0.2 CC(=CC(=O)OC)C L19731 [0,1,0,0,0,1|0,0,1]=3 999 B7R0.2 CC(=O)CC(=O)OC A13696 [0,1,0,0,0,1|1,0,1]=4 1000 B7R0.2 CC(C)CC(=O)OC L06241 [0,1,0,0,0,1|0,0,0]=2 1001 B7R0.2 CC(C)CC(C#C)O H53490 [0,1,0,0,0,1|1,0,1]=4 1002 B7R0.2 CC(C)C[C@@H](CO)N B23745 [0,1,0,0,0,1|1,0,1]=4 1003 B7R0.2 CC(C)C[C@H](CO)N L13243 [0,1,0,0,0,1|1,0,1]=4 1004 B7R0.2 CC(C)NC(=O)C=C H66262 [0,1,0,0,0,1|1,0,0]=3 1005 B7R0.2 CC(C)NC(=O)CCl B24863 [0,1,0,0,0,1|1,0,0]=3 1006 B7R0.2 CC(C)OC(=O)CCl A19070 [0,1,0,0,0,1|1,0,0]=3 1007 B7R0.2 CC(C)OC(=O)CN H50249 [0,1,0,0,0,1|1,0,0]=3 1008 B7R0.2 CC(C)OC(=O)CO H50334 [0,1,0,0,0,1|0,0,0]=2 1009 B7R0.2 CC(C)OC(=O)OC L15314 [0,1,0,0,0,1|0,0,0]=2 1010 B7R0.2 CCC(=O)OC(C)C A19052 [0,1,0,0,0,1|1,0,0]=3 1011 B7R0.2 CCC(C)CC(=O)Cl H50415 [0,1,0,0,0,1|1,0,0]=3 1012 B7R0.2 CCC(C)CC(=O)O A18886 [0,1,0,0,0,1|0,0,0]=2 1013 B7R0.2 CCC(C)OC(=O)C L13892 [0,1,0,0,0,1|1,0,0]=3 1014 B7R0.2 CN(C)CC(=O)OC L11897 [0,1,0,0,0,1|1,0,0]=3 1015 B7R0.2 COC(=O)CC(=O)O H27772 [0,1,0,0,0,1|1,0,1]=4 1016 B7R0.2 C[C@@H](CC(=O)OC)O L19996 [0,1,0,0,0,1|1,0,0]=3 1017 B7R0.2 C[C@H](CC(=O)OC)O L14151 [0,1,0,0,0,1|1,0,0]=3 1018 B7R0.2 C\C(=C\C(=O)OC)\N B24953 [0,1,0,0,0,1|1,0,1]=4 1019 B7R0.9 C(C(=O)O)C(F)(F)F B20428 [0,1,0,0,0,1|2,0,0]=4 1020 B7R0.9 CC(=C)CC(C)(C)C B20187 [0,1,0,0,0,1|2,0,0]=4 1021 B7R0.9 CC(=C)CC(C)(C)O B20605 [0,1,0,0,0,1|2,0,0]=4 1022 B7R0.9 CC(=CC(C)(C)C)C B20773 [0,1,0,0,0,1|2,0,0]=4 1023 B7R0.9 CC(=O)CC(C)(C)O A16248 [0,1,0,0,0,1|1,0,0]=3 1024 B7R0.9 CC(=O)CC(C)(C)S H31693 [0,1,0,0,0,1|1,0,0]=3 1025 B7R0.9 CC(=O)NC(C)(C)C L08505 [0,1,0,0,0,1|1,0,0]=3 1026 B7R0.9 CC(=O)N[Si](C)(C)C A13884 [0,1,0,0,0,1|1,1,0]=4 1027 B7R0.9 CC(=O)OC(C)(C)C L08855 [0,1,0,0,0,1|1,0,0]=3 1028 B7R0.9 CC(=O)O[Si](C)(C)C B22037 [0,1,0,0,0,1|1,1,0]=4 1029 B7R0.9 CC(C)(C)CC(=O)Cl A10162 [0,1,0,0,0,1|1,0,0]=3 1030 B7R0.9 CC(C)(C)CC(=O)O B21660 [0,1,0,0,0,1|0,0,0]=2 1031 B7R0.9 CC(C)(C)NC(=S)N L11979 [0,1,0,0,0,1|1,1,0]=4 1032 B7R0.9 CC(C)(C)OC(=O)N L00259 [0,1,0,0,0,1|1,0,0]=3 1033 B7R0.9 CC(C)(CC(=O)O)O 42722 [0,1,0,0,0,1|0,0,0]=2 1034 B7R0.9 CC(C)(CC(=O)[O-])O 42721 [0,1,0,0,0,1|0,0,1]=3 1035 B7R0.9 CC(C)CC(C)(C)O L08795 [0,1,0,0,0,1|1,0,1]=4 1036 B7R0.9 CC(C)CS(=O)(=O)Cl H64378 [0,1,0,0,0,1|1,0,1]=4 1037 B7R0.9 CC(CC(C)(C)O)O L03187 [0,1,0,0,0,1|1,0,1]=4 1038 B7R0.9 CC(CC(C)(C)S)O H32107 [0,1,0,0,0,1|1,0,1]=4 1039 B7R0.9 CS(=O)(=O)CC(=O)O L07598 [0,1,0,0,0,1|2,0,0]=4 1040 B7R0.9 C[C@H](CC(C)(C)O)O L14523 [0,1,0,0,0,1|1,0,1]=4 1041 B7R0.9 C[N+](C)(C)CC(=O)[O-] A16122 [0,1,0,0,0,1|1,0,1]=4 1042 B7R0.9 C[N+](C)(C)CC(=O)[O-] B24397 [0,1,0,0,0,1|1,0,1]=4 1043 B7R0.9 C[Si](C)(C)CC(=O)O L03903 [0,1,0,0,0,1|0,1,0]=3 1044 B7R0.16 CC(C(C(=O)O)Br)Br L04841 [0,1,0,0,0,1|1,0,0]=3 1045 B7R0.16 CC(C)C(C(=O)O)Br A10756 [0,1,0,0,0,1|0,0,0]=2 1046 B7R0.16 CC(C)C(C(=O)O)N A16756 [0,1,0,0,0,1|0,0,0]=2 1047 B7R0.16 CC(C)C(C(=O)O)O H60872 [0,1,0,0,0,1|0,0,0]=2 1048 B7R0.16 CC(C)[C@@H](C(=O)N)N H63775 [0,1,0,0,0,1|1,0,0]=3 1049 B7R0.16 CC(C)[C@@H](C(=O)O)N A12720 [0,1,0,0,0,1|0,0,0]=2 1050 B7R0.16 CC(C)[C@H](C(=O)O)N A18894 [0,1,0,0,0,1|0,0,0]=2 1051 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O H27301 [0,1,0,0,0,1|1,0,0]=3 1052 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O B21177 [0,1,0,0,0,1|1,0,0]=3 1053 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O A10606 [0,1,0,0,0,1|1,0,0]=3 1054 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O A16851 [0,1,0,0,0,1|1,0,0]=3 1055 B7R0.16 C[C@H]([C@H](C(=O)O)N)O H27050 [0,1,0,0,0,1|1,0,0]=3 1056 B7R0.5 C#CC[C@H](C(=O)O)N H65798 [0,2,0,0,0,0|1,0,0]=3 1057 B7R0.5 C(CN)C(C(=O)O)N A15408 [0,2,0,0,0,0|1,0,0]=3 1058 B7R0.5 C(CN)[C@@H](C(=O)O)N L10093 [0,2,0,0,0,0|1,0,0]=3 1059 B7R0.5 C(CN)[C@@H](C(=O)O)O H28796 [0,2,0,0,0,0|1,0,0]=3 1060 B7R0.5 C(CO)C(C(=O)O)N H63118 [0,2,0,0,0,0|1,0,0]=3 1061 B7R0.5 C(CO)[C@@H](C(=O)O)N L12427 [0,2,0,0,0,0|1,0,0]=3 1062 B7R0.5 C=CC[C@@H](C(=O)O)N H52097 [0,2,0,0,0,0|1,0,0]=3 1063 B7R0.5 C=CC[C@H](C(=O)O)N H52112 [0,2,0,0,0,0|1,0,0]=3 1064 B7R0.5 CC(=C)C(=O)OC=C L09584 [0,2,0,0,0,0|0,0,2]=4 1065 B7R0.5 CC(=O)C(CC=C)F H33048 [0,2,0,0,0,0|2,0,0]=4 1066 B7R0.5 CC(C)C(CC=C)O B20220 [0,2,0,0,0,0|1,0,1]=4 1067 B7R0.5 CC(CC=C)C(=O)O A11297 [0,2,0,0,0,0|0,0,0]=2 1068 B7R0.5 CCCC(=O)N(C)C L05556 [0,2,0,0,0,0|2,0,0]=4 1069 B7R0.5 CCCC(C(=O)O)Br L07047 [0,2,0,0,0,0|1,0,0]=3 1070 B7R0.5 CCCC(C(=O)O)N A15900 [0,2,0,0,0,0|1,0,0]=3 1071 B7R0.5 CCCC(C)C(=O)Cl L02725 [0,2,0,0,0,0|1,0,0]=3 1072 B7R0.5 CCCC(C)C(=O)O A13873 [0,2,0,0,0,0|0,0,0]=2 1073 B7R0.5 CCC[C@@H](C(=O)O)N L08658 [0,2,0,0,0,0|1,0,0]=3 1074 B7R0.5 CCC[C@H](C(=O)O)N B23444 [0,2,0,0,0,0|1,0,0]=3 1075 B7R0.5 CCOC(=O)C(=C)C A17518 [0,2,0,0,0,0|0,0,2]=4 1076 B7R0.5 CCOC(=O)C(=O)C A15045 [0,2,0,0,0,0|1,0,1]=4 1077 B7R0.5 CCOC(=O)C(Br)Br B23209 [0,2,0,0,0,0|2,0,0]=4 1078 B7R0.5 CCOC(=O)C(C)Br A10820 [0,2,0,0,0,0|1,0,0]=3 1079 B7R0.5 CCOC(=O)C(C)C A12966 [0,2,0,0,0,0|0,0,0]=2 1080 B7R0.5 CCOC(=O)C(C)Cl L13410 [0,2,0,0,0,0|1,0,0]=3 1081 B7R0.5 CCOC(=O)C(C)N L11020 [0,2,0,0,0,0|1,0,0]=3 1082 B7R0.5 CCOC(=O)C(C)O A10900 [0,2,0,0,0,0|1,0,0]=3 1083 B7R0.5 CCOC(=O)C(C)S L11520 [0,2,0,0,0,0|1,0,0]=3 1084 B7R0.5 CCOC(=O)C(F)Br B21579 [0,2,0,0,0,0|2,0,0]=4 1085 B7R0.5 CCOC(=O)C(F)Cl A14196 [0,2,0,0,0,0|2,0,0]=4 1086 B7R0.5 CCOC(=O)C(F)F A11215 [0,2,0,0,0,0|2,0,0]=4 1087 B7R0.5 CCOC(=O)[C@@H](C)N H62791 [0,2,0,0,0,0|1,0,0]=3 1088 B7R0.5 CCOC(=O)[C@H](C)N A11271 [0,2,0,0,0,0|1,0,0]=3 1089 B7R0.5 CC\C=C(/C)\C(=O)O A16587 [0,2,0,0,0,0|0,0,1]=3 1090 B7R0.5 CC\C=C(/C)\C(=O)O H60391 [0,2,0,0,0,0|0,0,1]=3 1091 B7R0.5 CN(C)C(=O)CC#N A10981 [0,2,0,0,0,0|2,0,0]=4 1092 B7R0.5 COC[C@@H](C(=O)O)N H52562 [0,2,0,0,0,0|1,0,0]=3 1093 B7R0.5 COC[C@H](C(=O)O)N H65884 [0,2,0,0,0,0|1,0,0]=3 1094 B7R0.5 C[C@H](C(C)C)N=C=O L20241 [0,2,0,0,0,0|1,0,1]=4 1095 B7R0.10 C([C@H]([C@H](C=O)O)O)O B21093 [0,2,0,0,0,0|1,0,1]=4 1096 B7R0.10 CC(C(=O)OC)OC L13527 [0,2,0,0,0,0|0,0,0]=2 1097 B7R0.10 CC(C(=O)OC)SC B21979 [0,2,0,0,0,0|0,0,0]=2 1098 B7R0.10 CCC(C(=O)OC)Br A19468 [0,2,0,0,0,0|1,0,0]=3 1099 B7R0.10 CCC(C)C(=O)OC L08103 [0,2,0,0,0,0|0,0,0]=2 1100 B7R0.10 CC[C@H](C)[C@@H](CO)N H60556 [0,2,0,0,0,0|1,0,1]=4 1101 B7R0.10 CN(C(=O)CCl)OC L17048 [0,2,0,0,0,0|2,0,0]=4 1102 B7R0.10 COC(=O)C(=O)OC A15359 [0,2,0,0,0,0|1,0,1]=4 1103 B7R0.10 COC(=O)C(CCl)Cl B21993 [0,2,0,0,0,0|1,0,0]=3 1104 B7R0.10 COC(=O)C(CF)Br H31790 [0,2,0,0,0,0|1,0,0]=3 1105 B7R0.10 COC(=O)C(CO)Cl H27623 [0,2,0,0,0,0|1,0,0]=3 1106 B7R0.10 COC(=O)C(CO)N A13904 [0,2,0,0,0,0|1,0,0]=3 1107 B7R0.10 COC(=O)[C@@H](CO)N H63685 [0,2,0,0,0,0|1,0,0]=3 1108 B7R0.10 COC(=O)[C@H](CO)N A12355 [0,2,0,0,0,0|1,0,0]=3 1109 B7R0.10 C[C@@H](CO)C(=O)OC 44483 [0,2,0,0,0,0|0,0,0]=2 1110 B7R0.10 C\C=C(/C)\C(=O)OC A11964 [0,2,0,0,0,0|0,0,1]=3 1111 B7R0.13 CC(C)(C#N)C(=O)O H66734 [0,2,0,0,0,0|0,0,0]=2 1112 B7R0.13 CC(C)(C=C)C(=O)O H64067 [0,2,0,0,0,0|0,0,0]=2 1113 B7R0.13 CC(C)(CO)C(=O)O L12858 [0,2,0,0,0,0|0,0,0]=2 1114 B7R0.13 CC(C)C(C)(C#C)O A19906 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.13 CCC(C(=O)O)(F)F H25830 [0,2,0,0,0,0|1,0,0]=3 1116 B7R0.13 CCC(C)(C)C(=O)Cl L18125 [0,2,0,0,0,0|1,0,0]=3 1117 B7R0.13 CCC(C)(C)C(=O)O A17072 [0,2,0,0,0,0|0,0,0]=2 1118 B7R0.14 CC(C)(C(=O)OC)N H26550 [0,2,0,0,0,0|0,0,0]=2 1119 B7R0.14 CC(C)(C)C(=O)CBr A10655 [0,2,0,0,0,0|1,0,0]=3 1120 B7R0.14 CC(C)(C)C(=O)CCl A16576 [0,2,0,0,0,0|1,0,0]=3 1121 B7R0.14 CC(C)(C)C(=O)NC L08916 [0,2,0,0,0,0|1,0,0]=3 1122 B7R0.14 CC(C)(C)C(=O)OC A13764 [0,2,0,0,0,0|0,0,0]=2 1123 B7R0.14 CC(C)(C)C(CO)O L07616 [0,2,0,0,0,0|0,0,2]=4 1124 B7R0.14 CCC(C(C)(C)C)O L11545 [0,2,0,0,0,0|1,0,1]=4 1125 B7R0.14 COC(=O)C(F)(F)Cl A18623 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.14 COC(=O)C(F)(F)F A17338 [0,2,0,0,0,0|2,0,0]=4 1127 B7R0.14 C\C(=N/O)\C(C)(C)C L08677 [0,2,0,0,0,0|1,0,0]=3 1128 B7R0.14 C\C(=N/O)\C(C)(C)O L10624 [0,2,0,0,0,0|1,0,0]=3 1129 B7R0.14 [2H]C([2H])([2H])C(=O)O[2H] 36469 [0,2,0,0,0,0|2,0,0]=4 1130 B7R0.14 [2H]OC(=O)C(F)(F)F 42357 [0,2,0,0,0,0|2,0,0]=4 1131 B7R0.15 C(C(CBr)C(=O)O)Br A19630 [0,2,0,0,0,0|0,0,0]=2 1132 B7R0.15 CCC(CC)C(=C)C B20624 [0,2,0,0,0,0|2,0,0]=4 1133 B7R0.15 CCC(CC)C(=O)Cl B23774 [0,2,0,0,0,0|1,0,0]=3 1134 B7R0.15 CCC(CC)C(=O)O A16989 [0,2,0,0,0,0|0,0,0]=2 1135 B7R0.15 CCN(CC)C(=O)C B20762 [0,2,0,0,0,0|2,0,0]=4 1136 B7R0.15 CCN(CC)C(=O)Cl A15701 [0,2,0,0,0,0|2,0,0]=4 1137 B7R0.15 C\C=C(\C(=O)O)/OC L19293 [0,2,0,0,0,0|0,0,1]=3 1138 B7R0.17 CC(C)(C(C)(C)O)O B25006 [0,2,0,0,0,0|1,0,1]=4 1139 B7R0.17 CC(C)(C)P(=O)(Cl)Cl B21099 [0,2,0,0,0,0|2,0,0]=4 1140 B7R0.17 CC(C)(C)S(=O)(=O)Cl H66915 [0,2,0,0,0,0|1,0,1]=4 1141 B7R0.17 CC(C)(O)S(=O)(=O)[O-] 36256 [0,2,0,0,0,0|1,0,1]=4 1142 B5R1.2 C1C(=O)CO1 H57870 [1,0,0,1,0,0|2,0,0]=4 1143 B5R1.2 C1C(CO1)Br H57437 [1,0,0,1,0,0|1,0,1]=4 1144 B5R1.2 C1C(CO1)I H57302 [1,0,0,1,0,0|1,0,1]=4 1145 B5R1.2 C1C(CO1)N H57248 [1,0,0,1,0,0|1,0,1]=4 1146 B5R1.2 C1C(CO1)O H57928 [1,0,0,1,0,0|1,0,1]=4 1147 B5R1.2 C1CC(=O)C1 A13068 [1,0,0,1,0,0|1,0,0]=3 1148 B5R1.2 C1CC(C1)O A12430 [1,0,0,1,0,0|1,0,1]=4 1149 B5R1.2 C1COC1=O B23197 [1,0,0,1,0,0|0,0,0]=2 1150 B5R1.3 C#CC1CC1 H53440 [1,0,0,1,0,0|1,0,1]=4 1151 B5R1.3 C1CC1C#N A11125 [1,0,0,1,0,0|1,0,1]=4 1152 B5R1.3 C1CC1C=O L14931 [1,0,0,1,0,0|0,0,0]=2 1153 B5R1.3 C1CC1CBr L01122 [1,0,0,1,0,0|1,0,1]=4 1154 B5R1.3 C1CC1CCl L06986 [1,0,0,1,0,0|1,0,1]=4 1155 B5R1.3 C1CC1CI H35309 [1,0,0,1,0,0|1,0,1]=4 1156 B5R1.3 C1CC1CN A13946 [1,0,0,1,0,0|1,0,1]=4 1157 B5R1.3 C1CC1CN L13353 [1,0,0,1,0,0|1,0,1]=4 1158 B5R1.3 C1CC1CO A12567 [1,0,0,1,0,0|0,0,1]=3 1159 B5R1.3 C1[C@@H](O1)CO H63502 [1,0,0,1,0,0|1,0,1]=4 1160 B5R1.3 C=CC1CO1 L00238 [1,0,0,1,0,0|2,0,0]=4 1161 B5R1.3 CC[C@@H]1CO1 H58579 [1,0,0,1,0,0|1,0,1]=4 1162 B5R1.3 CC[C@H]1CO1 H58104 [1,0,0,1,0,0|1,0,1]=4 1163 B5R1.4 C[C@@H]1[C@@H](O1)C L10320 [1,0,0,1,0,0|1,0,1]=4 1164 B5R1.4 C[C@H]1[C@@H](O1)C B22005 [1,0,0,1,0,0|1,0,1]=4 1165 B5R1.5 CC1(CO1)C L09773 [1,0,0,1,0,0|0,0,1]=3 1166 B7R1.2 C1C(=O)COC1=O A14079 [0,0,0,1,0,1|1,0,1]=4 1167 B7R1.2 C1C(COC1=O)O L20257 [0,0,0,1,0,1|1,0,0]=3 1168 B7R1.2 C1C(OC(=O)O1)F H61502 [0,0,0,1,0,1|1,0,0]=3 1169 B7R1.2 C1[C@@H](CNC1=O)O H66455 [0,0,0,1,0,1|2,0,0]=4 1170 B7R1.2 C1[C@@H](COC1=O)O L20256 [0,0,0,1,0,1|1,0,0]=3 1171 B7R1.2 C1[C@H](CNC1=O)O H66006 [0,0,0,1,0,1|2,0,0]=4 1172 B7R1.2 C1[C@H](COC1=O)O L20255 [0,0,0,1,0,1|1,0,0]=3 1173 B7R1.2 CC1=CC(=O)CC1 A13993 [0,0,0,1,0,1|1,0,1]=4 1174 B7R1.2 CC1CCC(=O)C1 L04940 [0,0,0,1,0,1|1,0,0]=3 1175 B7R1.2 CC1CCC(=O)O1 A18872 [0,0,0,1,0,1|1,0,0]=3 1176 B7R1.2 CC1COC(=O)O1 A15552 [0,0,0,1,0,1|0,0,0]=2 1177 B7R1.2 CN1CCC(=O)C1 H57585 [0,0,0,1,0,1|2,0,0]=4 1178 B7R1.12 CC1CC1C(=O)O H27815 [0,0,0,1,0,1|0,0,0]=2 1179 B7R1.20 C1CC1CC(=O)O L09416 [0,0,0,1,0,1|0,0,0]=2 1180 B7R1.4 C1CC(C(=O)C1)Cl B22573 [0,1,0,1,0,0|2,0,0]=4 1181 B7R1.4 C1CNC(=O)C1O H57961 [0,1,0,1,0,0|2,0,0]=4 1182 B7R1.4 C1COC(=O)C1Br A17344 [0,1,0,1,0,0|1,0,0]=3 1183 B7R1.4 C1COC(=O)N1N H35648 [0,1,0,1,0,0|2,0,0]=4 1184 B7R1.4 C1COC(=O)[C@H]1N B23148 [0,1,0,1,0,0|1,0,0]=3 1185 B7R1.4 C1CSC(=O)C1N L09077 [0,1,0,1,0,0|1,1,0]=4 1186 B7R1.4 C1[C@H](C(=O)NO1)N A18000 [0,1,0,1,0,0|1,0,0]=3 1187 B7R1.4 CC1C(=O)CCO1 B20890 [0,1,0,1,0,0|1,0,0]=3 1188 B7R1.4 CC1C(=O)CCS1 L10083 [0,1,0,1,0,0|1,0,0]=3 1189 B7R1.4 CC1CCCC1O A19978 [0,1,0,1,0,0|1,0,1]=4 1190 B7R1.4 CN1CCCC1=O 38986 [0,1,0,1,0,0|2,0,0]=4 1191 B7R1.4 CN1CCCC1=O 39176 [0,1,0,1,0,0|2,0,0]=4 1192 B7R1.4 CN1CCCC1=O 43741 [0,1,0,1,0,0|2,0,0]=4 1193 B7R1.4 CN1CCCC1=O 43894 [0,1,0,1,0,0|2,0,0]=4 1194 B7R1.4 CN1CCCC1=O 44063 [0,1,0,1,0,0|2,0,0]=4 1195 B7R1.4 CN1CCCC1=O A12260 [0,1,0,1,0,0|2,0,0]=4 1196 B7R1.18 C1C(CN1)C(=O)O H52294 [0,1,0,1,0,0|0,0,0]=2 1197 B7R1.18 C1C(CO1)C(=O)O H57578 [0,1,0,1,0,0|0,0,0]=2 1198 B7R1.18 C1CC(C1)C(=N)N H27475 [0,1,0,1,0,0|2,0,0]=4 1199 B7R1.18 C1CC(C1)C(=O)Cl B20317 [0,1,0,1,0,0|1,0,0]=3 1200 B7R1.18 C1CC(C1)C(=O)O A14480 [0,1,0,1,0,0|0,0,0]=2 1201 B7R1.18 C1CN[C@@H]1C(=O)O L09668 [0,1,0,1,0,0|0,0,0]=2 1202 B7R1.18 CC(=O)C1CCC1 L03521 [0,1,0,1,0,0|1,0,0]=3 1203 B7R1.19 C1CC1(C(=O)O)N H27264 [0,1,0,1,0,0|0,0,0]=2 1204 B7R1.19 CC(=O)C1(CC1)C L05394 [0,1,0,1,0,0|1,0,0]=3 1205 B7R1.22 C1CC1\C(=N\O)\N H58236 [0,1,0,1,0,0|1,0,0]=3 1206 B7R1.22 COC(=O)C1CC1 B20853 [0,1,0,1,0,0|0,0,0]=2 1207 B7R1.26 C1CC1S(=O)(=O)Cl H29107 [0,1,0,1,0,0|1,0,1]=4 1208 B7R1.26 C1CC1S(=O)(=O)N H55507 [0,1,0,1,0,0|1,0,1]=4 1209 B7R1.26 CC(C)(C)C1CO1 L06951 [0,1,0,1,0,0|1,0,1]=4 1210 B7R0.6 CC(=NNC(=O)N)C A12436 [0,0,0,0,0,2|1,0,1]=4 1211 B7R0.6 CC(=O)CCC(=O)O A10813 [0,0,0,0,0,2|1,0,1]=4 1212 B7R0.6 CC(=O)NCC(=O)O B21887 [0,0,0,0,0,2|1,0,1]=4 1213 B7R0.6 CC(=O)\C=C\C(=O)O L02185 [0,0,0,0,0,2|1,0,1]=4 1214 B7R0.6 CC(C)CCC(=O)C L17584 [0,0,0,0,0,2|1,0,0]=3 1215 B7R0.6 CC(C)CCC(=O)O A15405 [0,0,0,0,0,2|0,0,0]=2 1216 B7R0.6 CC(C)COC(=O)C A14892 [0,0,0,0,0,2|1,0,0]=3 1217 B7R0.6 CC(C)COC(=O)Cl A14692 [0,0,0,0,0,2|1,0,0]=3 1218 B7R0.6 CC(C)\C=C\C(=O)O B22639 [0,0,0,0,0,2|0,0,0]=2