0 B3R0.2 C=C(C)Br 28419 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 C=[N+](C)C D89898 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 CB(O)O 26076 [0,0,0,0,0,0|1,0,1]=2 3 B3R0.2 CC(=O)O 29388 [0,0,0,0,0,0|0,0,0]=0 4 B3R0.2 CC(=O)O C90337 [0,0,0,0,0,0|0,0,0]=0 5 B3R0.2 CC(=O)S D92569 [0,0,0,0,0,0|0,1,0]=1 6 B3R0.2 CC(=O)[O-] 35848 [0,0,0,0,0,0|0,0,1]=1 7 B3R0.2 CC(=O)[O-] AC2542 [0,0,0,0,0,0|0,0,1]=1 8 B3R0.2 CC(=O)[O-] AC2625 [0,0,0,0,0,0|0,0,1]=1 9 B3R0.2 CC(=O)[O-] D70070 [0,0,0,0,0,0|0,0,1]=1 10 B3R0.2 CC(=O)[O-] D74466 [0,0,0,0,0,0|0,0,1]=1 11 B3R0.2 CC(=O)[O-] D74596 [0,0,0,0,0,0|0,0,1]=1 12 B3R0.2 CC(=O)[O-] D77673 [0,0,0,0,0,0|0,0,1]=1 13 B3R0.2 CC(=O)[O-] D77909 [0,0,0,0,0,0|0,0,1]=1 14 B3R0.2 CC(=O)[O-] D78215 [0,0,0,0,0,0|0,0,1]=1 15 B3R0.2 CC(=O)[O-] D78216 [0,0,0,0,0,0|0,0,1]=1 16 B3R0.2 CC(=O)[O-] D81958 [0,0,0,0,0,0|0,0,1]=1 17 B3R0.2 CC(=O)[O-] D84280 [0,0,0,0,0,0|0,0,1]=1 18 B3R0.2 CC(=O)[O-] D88447 [0,0,0,0,0,0|0,0,1]=1 19 B3R0.2 CC(=O)[O-] D91230 [0,0,0,0,0,0|0,0,1]=1 20 B3R0.2 CC(=O)[O-] D95368 [0,0,0,0,0,0|0,0,1]=1 21 B3R0.2 CC(=O)[O-] D95676 [0,0,0,0,0,0|0,0,1]=1 22 B3R0.2 CC(=O)[O-] D95836 [0,0,0,0,0,0|0,0,1]=1 23 B3R0.2 CC(=O)[O-] D95949 [0,0,0,0,0,0|0,0,1]=1 24 B3R0.2 CC(=O)[O-] D95967 [0,0,0,0,0,0|0,0,1]=1 25 B3R0.2 CC(=O)[O-] D95970 [0,0,0,0,0,0|0,0,1]=1 26 B3R0.2 CC(=O)[O-] D97851 [0,0,0,0,0,0|0,0,1]=1 27 B3R0.2 CC(=O)[O-] E70002 [0,0,0,0,0,0|0,0,1]=1 28 B3R0.2 CC(=O)[O-] H10718 [0,0,0,0,0,0|0,0,1]=1 29 B3R0.2 CC(C)Br D87619 [0,0,0,0,0,0|2,0,1]=3 30 B3R0.2 CC(C)N A10746 [0,0,0,0,0,0|2,0,1]=3 31 B3R0.2 CC(C)[O-] T72011 [0,0,0,0,0,0|1,0,2]=3 32 B3R0.2 CC(N)=S D70870 [0,0,0,0,0,0|1,1,0]=2 33 B3R0.2 CN(C)C F19571 [0,0,0,0,0,0|3,0,0]=3 34 B3R0.2 CN(C)N H10568 [0,0,0,0,0,0|3,0,0]=3 35 B3R0.2 CP(C)C D81836 [0,0,0,0,0,0|3,0,0]=3 36 B3R0.2 CP(C)C F20488 [0,0,0,0,0,0|3,0,0]=3 37 B3R0.2 C[PH](C)=O 20677 [0,0,0,0,0,0|2,0,0]=2 38 B3R0.2 C[S+](C)Br D89000 [0,0,0,0,0,0|3,0,0]=3 39 B3R0.2 C[S+](C)C 11523 [0,0,0,0,0,0|3,0,0]=3 40 B3R0.2 C[S@](=O)[O-] 35930 [0,0,0,0,0,0|1,0,1]=2 41 B3R0.2 ClC(Br)Br D89312 [0,0,0,0,0,0|3,0,1]=4 42 B3R0.2 ClC(Cl)Br F17746 [0,0,0,0,0,0|3,0,1]=4 43 B3R0.2 FB(F)F D90502 [0,0,0,0,0,0|4,0,0]=4 44 B3R0.2 FC(Br)Br FD2037 [0,0,0,0,0,0|3,0,1]=4 45 B3R0.2 IC(I)I S12111 [0,0,0,0,0,0|3,0,1]=4 46 B3R0.2 N=C(N)Cl 43148 [0,0,0,0,0,0|3,0,0]=3 47 B3R0.2 N=C(N)N AT23545 [0,0,0,0,0,0|3,0,0]=3 48 B3R0.2 NC(=S)S 74779 [0,0,0,0,0,0|1,2,0]=3 49 B3R0.2 NC(N)=O D70446 [0,0,0,0,0,0|2,0,0]=2 50 B3R0.2 O=C(O)O D78214 [0,0,0,0,0,0|1,0,0]=1 51 B3R0.2 O=C([O-])[O-] 29292 [0,0,0,0,0,0|1,0,1]=2 52 B3R0.2 O=C([O-])[O-] AC2635 [0,0,0,0,0,0|1,0,1]=2 53 B3R0.2 O=C([O-])[O-] D95733 [0,0,0,0,0,0|1,0,1]=2 54 B3R0.2 O=C([O-])[O-] H12045 [0,0,0,0,0,0|1,0,1]=2 55 B3R0.2 O=[N+]([O-])[O-] AC2340 [0,0,0,0,0,0|2,0,1]=3 56 B3R0.2 O=[N+]([O-])[O-] D78339 [0,0,0,0,0,0|2,0,1]=3 57 B3R0.2 O=[N+]([O-])[O-] D95172 [0,0,0,0,0,0|2,0,1]=3 58 B3R0.2 O=[N+]([O-])[O-] D95621 [0,0,0,0,0,0|2,0,1]=3 59 B3R0.2 O=[N+]([O-])[O-] D95671 [0,0,0,0,0,0|2,0,1]=3 60 B3R0.2 O=[N+]([O-])[O-] D95736 [0,0,0,0,0,0|2,0,1]=3 61 B3R0.2 O=[N+]([O-])[O-] D95950 [0,0,0,0,0,0|2,0,1]=3 62 B3R0.2 O=[N+]([O-])[O-] D95955 [0,0,0,0,0,0|2,0,1]=3 63 B3R0.2 O=[N+]([O-])[O-] D95968 [0,0,0,0,0,0|2,0,1]=3 64 B3R0.2 O=[N+]([O-])[O-] S10441 [0,0,0,0,0,0|2,0,1]=3 65 B3R0.2 O=[V](=O)[O-] D78051 [0,0,0,0,0,0|2,0,1]=3 66 B3R0.2 OP(O)O F20662 [0,0,0,0,0,0|2,0,1]=3 67 B3R0.2 [O-]P([O-])O AT25587 [0,0,0,0,0,0|2,0,1]=3 68 B2R0.1 BrBBr A50014 [1,0,0,0,0,0|3,0,0]=4 69 B2R0.1 BrCI S11031 [1,0,0,0,0,0|2,0,1]=4 70 B2R0.1 C=NO 28803 [1,0,0,0,0,0|1,0,1]=3 71 B2R0.1 CC#N 34239 [1,0,0,0,0,0|1,0,1]=3 72 B2R0.1 CC=O D78540 [1,0,0,0,0,0|0,0,0]=1 73 B2R0.1 CC[O-] D78336 [1,0,0,0,0,0|0,0,2]=3 74 B2R0.1 CC[S-] H10136 [1,0,0,0,0,0|0,1,1]=3 75 B2R0.1 CNO 77593 [1,0,0,0,0,0|1,0,0]=2 76 B2R0.1 CON C93493 [1,0,0,0,0,0|2,0,0]=3 77 B2R0.1 C[SnH4+2]C D90313 [1,0,0,0,0,0|2,0,0]=3 78 B2R0.1 C[SnH4+2]C H11302 [1,0,0,0,0,0|2,0,0]=3 79 B2R0.1 ClCI D78022 [1,0,0,0,0,0|2,0,1]=4 80 B2R0.1 N#C[O-] D78243 [1,0,0,0,0,0|1,0,2]=4 81 B2R0.1 N#C[O-] D78265 [1,0,0,0,0,0|1,0,2]=4 82 B2R0.1 N#C[Se-] D94776 [1,0,0,0,0,0|1,1,1]=4 83 B2R0.1 N=CN 78939 [1,0,0,0,0,0|2,0,0]=3 84 B2R0.1 O=CO 43929 [1,0,0,0,0,0|0,0,0]=1 85 B2R0.1 O=CO D78097 [1,0,0,0,0,0|0,0,0]=1 86 B2R0.1 O=C[O-] D95946 [1,0,0,0,0,0|0,0,1]=2 87 B2R0.1 O=N[O-] D95565 [1,0,0,0,0,0|1,0,1]=3 88 B2R0.1 O=[13CH][O-] 41420 [1,0,0,0,0,0|0,0,1]=2 89 B2R0.1 O=[Ge]=O F20443 [1,0,0,0,0,0|0,1,1]=3 90 B2R0.1 O=[Si]=O C13405 [1,0,0,0,0,0|0,1,1]=3 91 B2R0.1 O=[Si]=O D78143 [1,0,0,0,0,0|0,1,1]=3 92 B2R0.1 O=[Te]=O D92683 [1,0,0,0,0,0|1,0,1]=3 93 B2R0.1 OPO AB10327 [1,0,0,0,0,0|1,0,1]=3 94 B2R0.1 [2H]OC D95537 [1,0,0,0,0,0|2,0,0]=3 95 B2R0.1 [2H]O[2H] H11944 [1,0,0,0,0,0|3,0,0]=4 96 B2R0.1 [BH3-]C#N D77968 [1,0,0,0,0,0|2,0,1]=4 97 B2R0.1 [NH3][Pd+2][NH3] D81862 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 C#CC(=O)O F10329 [0,1,0,0,0,0|0,0,1]=2 99 B4R0.1 C#CC(C)=O F52495 [0,1,0,0,0,0|1,0,0]=2 100 B4R0.1 C#CC(C)C 22832 [0,1,0,0,0,0|2,0,1]=4 101 B4R0.1 C#CC(N)=O BL007595 [0,1,0,0,0,0|1,0,1]=3 102 B4R0.1 C#C[C@H](C)N P17981 [0,1,0,0,0,0|2,0,1]=4 103 B4R0.1 C#C[C@H](C)O 55689 [0,1,0,0,0,0|1,0,1]=3 104 B4R0.1 C#C[C@H](C)O F17654 [0,1,0,0,0,0|1,0,1]=3 105 B4R0.1 C=C(Br)CBr F15445 [0,1,0,0,0,0|2,0,0]=3 106 B4R0.1 C=C(Br)CO D84296 [0,1,0,0,0,0|1,0,1]=3 107 B4R0.1 C=C(C)C=O H10713 [0,1,0,0,0,0|1,0,0]=2 108 B4R0.1 C=C(C)CBr 29319 [0,1,0,0,0,0|2,0,0]=3 109 B4R0.1 C=C(C)CN 29496 [0,1,0,0,0,0|2,0,0]=3 110 B4R0.1 C=C(C)CO H10780 [0,1,0,0,0,0|1,0,0]=2 111 B4R0.1 C=C(Cl)CCl D97733 [0,1,0,0,0,0|2,0,0]=3 112 B4R0.1 C=CC(=O)[O-] D88317 [0,1,0,0,0,0|0,0,2]=3 113 B4R0.1 C=CC(=O)[O-] H10710 [0,1,0,0,0,0|0,0,2]=3 114 B4R0.1 C=C[C@H](C)O W13854 [0,1,0,0,0,0|1,0,1]=3 115 B4R0.1 C=NN(C)C T72047 [0,1,0,0,0,0|3,0,0]=4 116 B4R0.1 CC(=N)NO 74820 [0,1,0,0,0,0|1,0,0]=2 117 B4R0.1 CC(=O)CBr 76485 [0,1,0,0,0,0|1,0,0]=2 118 B4R0.1 CC(=O)CN 24448 [0,1,0,0,0,0|1,0,0]=2 119 B4R0.1 CC(=O)NBr 70825 [0,1,0,0,0,0|1,0,0]=2 120 B4R0.1 CC(=O)NN AB6005 [0,1,0,0,0,0|1,0,0]=2 121 B4R0.1 CC(=O)NO 78370 [0,1,0,0,0,0|0,0,0]=1 122 B4R0.1 CC(C)=CBr 29237 [0,1,0,0,0,0|2,0,0]=3 123 B4R0.1 CC(C)=NO D70154 [0,1,0,0,0,0|1,0,0]=2 124 B4R0.1 CC(C)CN D70621 [0,1,0,0,0,0|2,0,1]=4 125 B4R0.1 CC(C)NN 35766 [0,1,0,0,0,0|2,0,1]=4 126 B4R0.1 CC(C)NN C10400 [0,1,0,0,0,0|2,0,1]=4 127 B4R0.1 CC(C)NO 77595 [0,1,0,0,0,0|1,0,1]=3 128 B4R0.1 CC(C)ON 77602 [0,1,0,0,0,0|1,0,1]=3 129 B4R0.1 CCB(O)O 33051 [0,1,0,0,0,0|1,0,1]=3 130 B4R0.1 CCC(=N)N 65202 [0,1,0,0,0,0|2,0,0]=3 131 B4R0.1 CCC(N)=O O12053 [0,1,0,0,0,0|1,0,0]=2 132 B4R0.1 CCC(N)=S AT14776 [0,1,0,0,0,0|1,1,0]=3 133 B4R0.1 CC[C@H](C)O 70716 [0,1,0,0,0,0|1,0,1]=3 134 B4R0.1 CC[C@H](C)O 70832 [0,1,0,0,0,0|1,0,1]=3 135 B4R0.1 CC[S@](=O)[O-] F16489 [0,1,0,0,0,0|1,0,1]=3 136 B4R0.1 CN(C)C=S 70822 [0,1,0,0,0,0|2,1,0]=4 137 B4R0.1 CN(C)N=O AT21751 [0,1,0,0,0,0|2,0,0]=3 138 B4R0.1 CN=C(N)N D91522 [0,1,0,0,0,0|2,0,0]=3 139 B4R0.1 CNC(=N)N P16886 [0,1,0,0,0,0|2,0,0]=3 140 B4R0.1 CNC(=O)Cl D81983 [0,1,0,0,0,0|1,0,0]=2 141 B4R0.1 CNC(C)C 39417 [0,1,0,0,0,0|2,0,1]=4 142 B4R0.1 CNC(N)=O AC8061 [0,1,0,0,0,0|1,0,0]=2 143 B4R0.1 CNN(C)C 66800 [0,1,0,0,0,0|3,0,0]=4 144 B4R0.1 COC(=N)N F11253 [0,1,0,0,0,0|2,0,0]=3 145 B4R0.1 COC(=N)N F14927 [0,1,0,0,0,0|2,0,0]=3 146 B4R0.1 COC(=N)N I11503 [0,1,0,0,0,0|2,0,0]=3 147 B4R0.1 COC(Cl)Cl D87753 [0,1,0,0,0,0|2,0,1]=4 148 B4R0.1 COC(N)=O D86342 [0,1,0,0,0,0|1,0,0]=2 149 B4R0.1 COP(Cl)Cl D91399 [0,1,0,0,0,0|3,0,0]=4 150 B4R0.1 CSC(=N)N 20543 [0,1,0,0,0,0|2,0,0]=3 151 B4R0.1 CSC(=N)N E70432 [0,1,0,0,0,0|2,0,0]=3 152 B4R0.1 CSC(C)=O D82067 [0,1,0,0,0,0|0,1,0]=2 153 B4R0.1 C[C@H](Br)C#N S12043 [0,1,0,0,0,0|2,0,1]=4 154 B4R0.1 C[C@H](Cl)CO H11590 [0,1,0,0,0,0|1,0,1]=3 155 B4R0.1 C[C@H](Cl)CO O10168 [0,1,0,0,0,0|1,0,1]=3 156 B4R0.1 C[C@H](N)CN 35106 [0,1,0,0,0,0|2,0,1]=4 157 B4R0.1 C[C@H](N)CN P20461 [0,1,0,0,0,0|2,0,1]=4 158 B4R0.1 C[C@H](N)CO 28476 [0,1,0,0,0,0|1,0,1]=3 159 B4R0.1 C[C@H](N)CO 29970 [0,1,0,0,0,0|1,0,1]=3 160 B4R0.1 C[C@H](N)CO 29971 [0,1,0,0,0,0|1,0,1]=3 161 B4R0.1 C[C@H](O)CCl C10666 [0,1,0,0,0,0|1,0,1]=3 162 B4R0.1 C[C@H](O)CCl D87799 [0,1,0,0,0,0|1,0,1]=3 163 B4R0.1 C[C@H](O)CCl H11611 [0,1,0,0,0,0|1,0,1]=3 164 B4R0.1 C[C@H](O)CN 86259 [0,1,0,0,0,0|1,0,1]=3 165 B4R0.1 C[C@H](O)CN 86301 [0,1,0,0,0,0|1,0,1]=3 166 B4R0.1 C[C@H](O)CN A10592 [0,1,0,0,0,0|1,0,1]=3 167 B4R0.1 C[C@H](O)CO A11633 [0,1,0,0,0,0|0,0,2]=3 168 B4R0.1 C[C@H](O)CO A11634 [0,1,0,0,0,0|0,0,2]=3 169 B4R0.1 C[N+](C)=CCl D89427 [0,1,0,0,0,0|3,0,0]=4 170 B4R0.1 C\C(N)=N\O 35620 [0,1,0,0,0,0|1,0,0]=2 171 B4R0.1 FC(F)CI 30620 [0,1,0,0,0,0|2,0,1]=4 172 B4R0.1 N=C(N)CCl F11896 [0,1,0,0,0,0|2,0,0]=3 173 B4R0.1 N=C(N)CN 20106 [0,1,0,0,0,0|2,0,0]=3 174 B4R0.1 N=C(N)CO C10100 [0,1,0,0,0,0|2,0,0]=3 175 B4R0.1 N=C(N)NN A11354 [0,1,0,0,0,0|3,0,0]=4 176 B4R0.1 N=C(N)NN AC8587 [0,1,0,0,0,0|3,0,0]=4 177 B4R0.1 NC(=O)CBr 35276 [0,1,0,0,0,0|1,0,0]=2 178 B4R0.1 NC(=O)CI 25452 [0,1,0,0,0,0|1,0,0]=2 179 B4R0.1 NC(=O)CO D77798 [0,1,0,0,0,0|1,0,0]=2 180 B4R0.1 NC(=O)NO A10546 [0,1,0,0,0,0|1,0,0]=2 181 B4R0.1 NCC(=O)O D70890 [0,1,0,0,0,0|0,0,0]=1 182 B4R0.1 NCC(=O)O F21278 [0,1,0,0,0,0|0,0,0]=1 183 B4R0.1 NCC(=O)[O-] D70403 [0,1,0,0,0,0|0,0,1]=2 184 B4R0.1 NCC(=O)[O-] D77927 [0,1,0,0,0,0|0,0,1]=2 185 B4R0.1 NCC(=O)[O-] D84274 [0,1,0,0,0,0|0,0,1]=2 186 B4R0.1 NCC(=O)[O-] D95398 [0,1,0,0,0,0|0,0,1]=2 187 B4R0.1 NCC(F)F O10557 [0,1,0,0,0,0|2,0,1]=4 188 B4R0.1 NCC(N)=O 20652 [0,1,0,0,0,0|1,0,0]=2 189 B4R0.1 NCC(N)=O 58529 [0,1,0,0,0,0|1,0,0]=2 190 B4R0.1 NNC(N)=O D95915 [0,1,0,0,0,0|2,0,0]=3 191 B4R0.1 NNC(N)=S A10741 [0,1,0,0,0,0|2,1,0]=4 192 B4R0.1 O=C(Cl)CBr D87897 [0,1,0,0,0,0|1,0,0]=2 193 B4R0.1 O=C(Cl)SCl D89346 [0,1,0,0,0,0|1,1,0]=3 194 B4R0.1 O=C(O)CO D78078 [0,1,0,0,0,0|0,0,0]=1 195 B4R0.1 O=CC(=O)O D70821 [0,1,0,0,0,0|0,0,1]=2 196 B4R0.1 O=CC(=O)O F14188 [0,1,0,0,0,0|0,0,1]=2 197 B4R0.1 O=[N+]([O-])CBr 76484 [0,1,0,0,0,0|1,0,1]=3 198 B4R0.1 OCC(F)F FD2062 [0,1,0,0,0,0|2,0,1]=4 199 B4R0.1 ON=C(Br)Br 80656 [0,1,0,0,0,0|2,0,0]=3 200 B4R0.3 CC(C)(C)I D88747 [0,1,0,0,0,0|2,0,1]=4 201 B4R0.3 CC(C)(C)N D83855 [0,1,0,0,0,0|2,0,1]=4 202 B4R0.3 CC(C)(C)N D89117 [0,1,0,0,0,0|2,0,1]=4 203 B4R0.3 CC(C)(C)N F14004 [0,1,0,0,0,0|2,0,1]=4 204 B4R0.3 CC(C)(C)[O-] D78008 [0,1,0,0,0,0|1,0,2]=4 205 B4R0.3 CC(C)(C)[O-] D78330 [0,1,0,0,0,0|1,0,2]=4 206 B4R0.3 CC(C)(C)[O-] D88327 [0,1,0,0,0,0|1,0,2]=4 207 B4R0.3 CP(=O)(O)O D95909 [0,1,0,0,0,0|1,0,0]=2 208 B4R0.3 CS(=O)(=O)O AT25153 [0,1,0,0,0,0|1,0,0]=2 209 B4R0.3 CS(=O)(=O)[O-] A11504 [0,1,0,0,0,0|1,0,1]=3 210 B4R0.3 CS(=O)(=O)[O-] D82065 [0,1,0,0,0,0|1,0,1]=3 211 B4R0.3 CS(=O)(=O)[O-] E70319 [0,1,0,0,0,0|1,0,1]=3 212 B4R0.3 CS(=O)(=O)[S-] W18874 [0,1,0,0,0,0|1,0,1]=3 213 B4R0.3 CS(C)(=N)=O F31251 [0,1,0,0,0,0|2,0,0]=3 214 B4R0.3 CS(C)(=O)=O D70240 [0,1,0,0,0,0|1,0,1]=3 215 B4R0.3 CS(N)(=O)=O AC7862 [0,1,0,0,0,0|1,0,1]=3 216 B4R0.3 C[B-](F)(F)F 29656 [0,1,0,0,0,0|3,0,0]=4 217 B4R0.3 C[N+](C)(C)C A10946 [0,1,0,0,0,0|3,0,0]=4 218 B4R0.3 C[N+](C)(C)C AC7796 [0,1,0,0,0,0|3,0,0]=4 219 B4R0.3 C[N+](C)(C)C AT22119 [0,1,0,0,0,0|3,0,0]=4 220 B4R0.3 C[N+](C)(C)C D77756 [0,1,0,0,0,0|3,0,0]=4 221 B4R0.3 C[N+](C)(C)C D78250 [0,1,0,0,0,0|3,0,0]=4 222 B4R0.3 C[N+](C)(C)C D95388 [0,1,0,0,0,0|3,0,0]=4 223 B4R0.3 C[N+](C)(C)C D95778 [0,1,0,0,0,0|3,0,0]=4 224 B4R0.3 C[N+](C)(C)C FD10633 [0,1,0,0,0,0|3,0,0]=4 225 B4R0.3 C[N+](C)(C)C H10703 [0,1,0,0,0,0|3,0,0]=4 226 B4R0.3 C[N+](C)(C)C H10935 [0,1,0,0,0,0|3,0,0]=4 227 B4R0.3 C[N+](C)(C)C O12146 [0,1,0,0,0,0|3,0,0]=4 228 B4R0.3 C[N+](C)(C)[O-] D70574 [0,1,0,0,0,0|2,0,1]=4 229 B4R0.3 C[S+](C)(C)=O A11312 [0,1,0,0,0,0|2,0,0]=3 230 B4R0.3 C[S+](C)(C)=O AC7850 [0,1,0,0,0,0|2,0,0]=3 231 B4R0.3 C[S+](C)(C)=O AC8170 [0,1,0,0,0,0|2,0,0]=3 232 B4R0.3 C[Si](C)(C)Br D88750 [0,1,0,0,0,0|2,1,0]=4 233 B4R0.3 C[Si](C)(C)I F15417 [0,1,0,0,0,0|2,1,0]=4 234 B4R0.3 C[Si](C)(C)[O-] 76749 [0,1,0,0,0,0|1,1,1]=4 235 B4R0.3 C[Si](C)(C)[O-] D86377 [0,1,0,0,0,0|1,1,1]=4 236 B4R0.3 C[Sn](C)(C)C D95827 [0,1,0,0,0,0|3,0,0]=4 237 B4R0.3 NS(=O)(=O)Cl 30747 [0,1,0,0,0,0|2,0,1]=4 238 B4R0.3 NS(=O)(=O)[O-] D95248 [0,1,0,0,0,0|2,0,1]=4 239 B4R0.3 NS(=O)(=O)[O-] H10675 [0,1,0,0,0,0|2,0,1]=4 240 B4R0.3 NS(N)(=O)=O S12311 [0,1,0,0,0,0|2,0,1]=4 241 B4R0.3 O=Cl(=O)(=O)[O-] D97853 [0,1,0,0,0,0|2,0,1]=4 242 B4R0.3 O=P(O)(F)F D94280 [0,1,0,0,0,0|2,0,0]=3 243 B4R0.3 O=P([O-])([O-])[O-] D78130 [0,1,0,0,0,0|2,0,1]=4 244 B4R0.3 O=P([O-])([O-])[O-] D78139 [0,1,0,0,0,0|2,0,1]=4 245 B4R0.3 O=P([O-])([O-])[O-] H12048 [0,1,0,0,0,0|2,0,1]=4 246 B4R0.3 O=S(=O)(O)O D77746 [0,1,0,0,0,0|2,0,0]=3 247 B4R0.3 O=S(=O)(O)O H11038 [0,1,0,0,0,0|2,0,0]=3 248 B4R0.3 O=S(=O)([O-])O D90622 [0,1,0,0,0,0|2,0,0]=3 249 B4R0.3 O=S(=O)([O-])[O-] AC2339 [0,1,0,0,0,0|2,0,1]=4 250 B4R0.3 O=S(=O)([O-])[O-] AC2544 [0,1,0,0,0,0|2,0,1]=4 251 B4R0.3 O=S(=O)([O-])[O-] C13502 [0,1,0,0,0,0|2,0,1]=4 252 B4R0.3 O=S(=O)([O-])[O-] D95954 [0,1,0,0,0,0|2,0,1]=4 253 B4R0.3 O=S(=O)([O-])[O-] D97195 [0,1,0,0,0,0|2,0,1]=4 254 B4R0.3 O=S(=O)([O-])[O-] D97777 [0,1,0,0,0,0|2,0,1]=4 255 B4R0.3 O=S([O-])([O-])=S D78333 [0,1,0,0,0,0|2,0,1]=4 256 B4R0.3 O=[Mo](=O)(O)O D78107 [0,1,0,0,0,0|2,0,0]=3 257 B4R0.3 O=[Mo](=O)([O-])[O-] A11800 [0,1,0,0,0,0|2,0,1]=4 258 B4R0.3 O=[Os](=O)([O-])[O-] C13967 [0,1,0,0,0,0|2,0,1]=4 259 B4R0.3 O=[W](=O)([O-])[O-] H11589 [0,1,0,0,0,0|2,0,1]=4 260 B4R1.2 BrC1CC1 55622 [0,0,0,1,0,0|2,0,1]=4 261 B4R1.2 C[C@H]1CS1 D91944 [0,0,0,1,0,0|1,1,1]=4 262 B4R1.2 NC1CC1 P19977 [0,0,0,1,0,0|2,0,1]=4 263 B4R1.2 OC1CC1 87295 [0,0,0,1,0,0|1,0,1]=3 264 B1R0.1 CN N12122 [2,0,0,0,0,0|1,0,0]=3 265 B1R0.1 C[O-] S11669 [2,0,0,0,0,0|0,0,1]=3 266 B1R0.1 NN D78079 [2,0,0,0,0,0|2,0,0]=4 267 B1R0.1 NO D78016 [2,0,0,0,0,0|1,0,0]=3 268 B1R0.1 [C-]#N D78338 [2,0,0,0,0,0|1,0,1]=4 269 B1R0.1 [C-]#[O+] D80405 [2,0,0,0,0,0|0,0,2]=4 270 B1R0.1 [C-]#[O+] D81839 [2,0,0,0,0,0|0,0,2]=4 271 B1R0.1 [C-]#[O+] D90157 [2,0,0,0,0,0|0,0,2]=4 272 B1R0.1 [C-]#[O+] D94507 [2,0,0,0,0,0|0,0,2]=4 273 B1R0.1 [C-]#[O+] D94520 [2,0,0,0,0,0|0,0,2]=4 274 B1R0.1 [C-]#[O+] D94891 [2,0,0,0,0,0|0,0,2]=4 275 B1R0.1 [C-]#[O+] D95847 [2,0,0,0,0,0|0,0,2]=4 276 B1R0.1 [C-]#[O+] D95860 [2,0,0,0,0,0|0,0,2]=4 277 B3R0.1 Br\C=C/Br D89611 [1,1,0,0,0,0|1,0,1]=4 278 B3R0.1 C#CCBr 28449 [1,1,0,0,0,0|1,0,1]=4 279 B3R0.1 C#CCN 65315 [1,1,0,0,0,0|1,0,1]=4 280 B3R0.1 C#CCN RB8001 [1,1,0,0,0,0|1,0,1]=4 281 B3R0.1 C=CCC F17161 [1,1,0,0,0,0|1,0,0]=3 282 B3R0.1 C=CCI D78530 [1,1,0,0,0,0|1,0,0]=3 283 B3R0.1 C=CC[Pd+] F10003 [1,1,0,0,0,0|1,0,0]=3 284 B3R0.1 CCCN D74104 [1,1,0,0,0,0|1,0,1]=4 285 B3R0.1 CCCN D80322 [1,1,0,0,0,0|1,0,1]=4 286 B3R0.1 CCNC 28743 [1,1,0,0,0,0|1,0,1]=4 287 B3R0.1 CCNC D78313 [1,1,0,0,0,0|1,0,1]=4 288 B3R0.1 CCNN D93746 [1,1,0,0,0,0|1,0,1]=4 289 B3R0.1 CCNO 77594 [1,1,0,0,0,0|0,0,1]=3 290 B3R0.1 CCON 35725 [1,1,0,0,0,0|0,0,1]=3 291 B3R0.1 CCSC D90442 [1,1,0,0,0,0|0,1,1]=4 292 B3R0.1 CNNC F14608 [1,1,0,0,0,0|2,0,0]=4 293 B3R0.1 CNOC 60204 [1,1,0,0,0,0|1,0,0]=3 294 B3R0.1 COCBr D78328 [1,1,0,0,0,0|1,0,1]=4 295 B3R0.1 CSCCl F20413 [1,1,0,0,0,0|1,0,1]=4 296 B3R0.1 C\C=N\O F13401 [1,1,0,0,0,0|0,0,0]=2 297 B3R0.1 ClCCBr D95298 [1,1,0,0,0,0|1,0,1]=4 298 B3R0.1 Cl\C=C\Cl H11307 [1,1,0,0,0,0|1,0,1]=4 299 B3R0.1 FCCI 29129 [1,1,0,0,0,0|1,0,1]=4 300 B3R0.1 ICCI D70963 [1,1,0,0,0,0|1,0,1]=4 301 B3R0.1 N#CCBr D88745 [1,1,0,0,0,0|1,0,1]=4 302 B3R0.1 N#CCF P18220 [1,1,0,0,0,0|1,0,1]=4 303 B3R0.1 N#CCI C10929 [1,1,0,0,0,0|1,0,1]=4 304 B3R0.1 N#CCN 28451 [1,1,0,0,0,0|1,0,1]=4 305 B3R0.1 NCCBr 12331 [1,1,0,0,0,0|1,0,1]=4 306 B3R0.1 NCCCl D70641 [1,1,0,0,0,0|1,0,1]=4 307 B3R0.1 NCCF 22877 [1,1,0,0,0,0|1,0,1]=4 308 B3R0.1 NCCN T72638 [1,1,0,0,0,0|1,0,1]=4 309 B3R0.1 NCCO F17546 [1,1,0,0,0,0|0,0,1]=3 310 B3R0.1 NCCO P20022 [1,1,0,0,0,0|0,0,1]=3 311 B3R0.1 NCCS D70222 [1,1,0,0,0,0|0,1,1]=4 312 B3R0.1 NCCS D88299 [1,1,0,0,0,0|0,1,1]=4 313 B3R0.1 NNC=O F11944 [1,1,0,0,0,0|1,0,0]=3 314 B3R0.1 SCCS D78347 [1,1,0,0,0,0|0,1,1]=4 315 B5R0.1 C#CCC(=O)O F14007 [0,2,0,0,0,0|0,0,0]=2 316 B5R0.1 C=C(C)CCBr 80247 [0,2,0,0,0,0|2,0,0]=4 317 B5R0.1 C=C(C)OCC 78535 [0,2,0,0,0,0|1,0,0]=3 318 B5R0.1 C=CCC(=O)O H10768 [0,2,0,0,0,0|0,0,0]=2 319 B5R0.1 C=CC[C@H](C)O D92157 [0,2,0,0,0,0|1,0,1]=4 320 B5R0.1 C=CNC(C)=O D92786 [0,2,0,0,0,0|1,0,0]=3 321 B5R0.1 C=NCC(N)=O D97705 [0,2,0,0,0,0|1,0,0]=3 322 B5R0.1 CC#CC(=O)O 66664 [0,2,0,0,0,0|0,0,0]=2 323 B5R0.1 CC(=O)CC#N 88909 [0,2,0,0,0,0|1,0,0]=3 324 B5R0.1 CC(=O)CCCl F20480 [0,2,0,0,0,0|1,0,0]=3 325 B5R0.1 CC(=O)CCO 55787 [0,2,0,0,0,0|0,0,0]=2 326 B5R0.1 CC(=O)NCO FD10622 [0,2,0,0,0,0|0,0,0]=2 327 B5R0.1 CC(=O)OCBr A12670 [0,2,0,0,0,0|0,0,0]=2 328 B5R0.1 CC(=O)OCCl D78132 [0,2,0,0,0,0|0,0,0]=2 329 B5R0.1 CC(=O)\C=N\O D72887 [0,2,0,0,0,0|0,0,0]=2 330 B5R0.1 CC(C)=CC=O 23180 [0,2,0,0,0,0|1,0,0]=3 331 B5R0.1 CC(C)=CCBr 75658 [0,2,0,0,0,0|2,0,0]=4 332 B5R0.1 CC(C)=CCO F20316 [0,2,0,0,0,0|1,0,0]=3 333 B5R0.1 CC(C)CON H10571 [0,2,0,0,0,0|1,0,1]=4 334 B5R0.1 CC=C[C@H](C)O D84201 [0,2,0,0,0,0|1,0,1]=4 335 B5R0.1 CCCB(O)O 33060 [0,2,0,0,0,0|1,0,1]=4 336 B5R0.1 CCCC(=N)N W10324 [0,2,0,0,0,0|2,0,0]=4 337 B5R0.1 CCCC(=O)[O-] D84277 [0,2,0,0,0,0|0,0,1]=3 338 B5R0.1 CCCC(N)=O D70204 [0,2,0,0,0,0|1,0,0]=3 339 B5R0.1 CCC[C@H](C)O RB3003 [0,2,0,0,0,0|1,0,1]=4 340 B5R0.1 CCC[C@H](C)O T72186 [0,2,0,0,0,0|1,0,1]=4 341 B5R0.1 CCC[N+](=O)[O-] D97683 [0,2,0,0,0,0|1,0,1]=4 342 B5R0.1 CCNC(C)=O AC2513 [0,2,0,0,0,0|1,0,0]=3 343 B5R0.1 CCNC(N)=O D95291 [0,2,0,0,0,0|1,0,0]=3 344 B5R0.1 CCOC(=S)[S-] D78138 [0,2,0,0,0,0|0,2,0]=4 345 B5R0.1 CCOC(=S)[S-] D90455 [0,2,0,0,0,0|0,2,0]=4 346 B5R0.1 CCOC(C)=N D70134 [0,2,0,0,0,0|1,0,0]=3 347 B5R0.1 CCOC(N)=O F21294 [0,2,0,0,0,0|1,0,0]=3 348 B5R0.1 CCO[SiH](C)C I11477 [0,2,0,0,0,0|1,1,0]=4 349 B5R0.1 CCSC(=N)N D86401 [0,2,0,0,0,0|2,0,0]=4 350 B5R0.1 CCSC(C)=O H11301 [0,2,0,0,0,0|0,1,0]=3 351 B5R0.1 CC[O+]=C(N)N 35842 [0,2,0,0,0,0|2,0,0]=4 352 B5R0.1 CN(C)CC=O O10521 [0,2,0,0,0,0|2,0,0]=4 353 B5R0.1 CNCC(=O)O 73735 [0,2,0,0,0,0|0,0,0]=2 354 B5R0.1 CNCC(=O)O AC7804 [0,2,0,0,0,0|0,0,0]=2 355 B5R0.1 CNCC(N)=O A11560 [0,2,0,0,0,0|1,0,0]=3 356 B5R0.1 COCC(=N)N 20309 [0,2,0,0,0,0|2,0,0]=4 357 B5R0.1 COCC(=O)Cl D78222 [0,2,0,0,0,0|1,0,0]=3 358 B5R0.1 COCC(=O)O D77874 [0,2,0,0,0,0|0,0,0]=2 359 B5R0.1 COCC(C)=O D91400 [0,2,0,0,0,0|0,0,0]=2 360 B5R0.1 COCC(N)=O F20983 [0,2,0,0,0,0|1,0,0]=3 361 B5R0.1 COC[C@H](C)O 35103 [0,2,0,0,0,0|0,0,2]=4 362 B5R0.1 COC[C@H](C)O O10158 [0,2,0,0,0,0|0,0,2]=4 363 B5R0.1 CSCC(=O)O F15988 [0,2,0,0,0,0|0,0,0]=2 364 B5R0.1 CSCC(N)=O 23231 [0,2,0,0,0,0|1,0,0]=3 365 B5R0.1 CSC[S@](C)=O 63104 [0,2,0,0,0,0|1,1,0]=4 366 B5R0.1 C[C@H](N)CCO 36141 [0,2,0,0,0,0|1,0,1]=4 367 B5R0.1 C[C@H](N)CCO 36142 [0,2,0,0,0,0|1,0,1]=4 368 B5R0.1 C[C@H](N)CCO F11725 [0,2,0,0,0,0|1,0,1]=4 369 B5R0.1 C[C@H](O)CCO 55765 [0,2,0,0,0,0|0,0,2]=4 370 B5R0.1 C[C@H](O)CCO O10183 [0,2,0,0,0,0|0,0,2]=4 371 B5R0.1 C[C@H](O)CNN 71999 [0,2,0,0,0,0|1,0,1]=4 372 B5R0.1 C\C(N)=C/C#N F19804 [0,2,0,0,0,0|2,0,0]=4 373 B5R0.1 C\C=C\B(O)O I12778 [0,2,0,0,0,0|1,0,1]=4 374 B5R0.1 C\C=C\C(=O)Cl D78102 [0,2,0,0,0,0|1,0,0]=3 375 B5R0.1 C\C=C\C(=O)Cl F20351 [0,2,0,0,0,0|1,0,0]=3 376 B5R0.1 C\C=C\C(=O)O RB8002 [0,2,0,0,0,0|0,0,0]=2 377 B5R0.1 C\C=C\C(C)=O F17125 [0,2,0,0,0,0|1,0,0]=3 378 B5R0.1 N#CCC(=O)O P20002 [0,2,0,0,0,0|0,0,0]=2 379 B5R0.1 N#CCC(=O)[O-] D83681 [0,2,0,0,0,0|0,0,1]=3 380 B5R0.1 N#CCC(N)=O W18657 [0,2,0,0,0,0|1,0,0]=3 381 B5R0.1 N#CCC(N)=S AT19945 [0,2,0,0,0,0|1,1,0]=4 382 B5R0.1 NC(=O)CCBr C16124 [0,2,0,0,0,0|1,0,0]=3 383 B5R0.1 NCCC(N)=O F13534 [0,2,0,0,0,0|1,0,0]=3 384 B5R0.1 NOCC(=O)O H11929 [0,2,0,0,0,0|0,0,0]=2 385 B5R0.1 O=C(Cl)CCBr D88890 [0,2,0,0,0,0|1,0,0]=3 386 B5R0.1 O=C(Cl)OCCl H11933 [0,2,0,0,0,0|1,0,0]=3 387 B5R0.1 O=C(O)CCBr P17146 [0,2,0,0,0,0|0,0,0]=2 388 B5R0.1 O=C(O)CCF 71324 [0,2,0,0,0,0|0,0,0]=2 389 B5R0.1 O=C(O)CCI D91073 [0,2,0,0,0,0|0,0,0]=2 390 B5R0.1 O=C(O)CCO 77998 [0,2,0,0,0,0|0,0,0]=2 391 B5R0.1 O=C(O)CCS AT21041 [0,2,0,0,0,0|0,0,0]=2 392 B5R0.1 O=C(O)\C=C/Cl H10108 [0,2,0,0,0,0|0,0,1]=3 393 B5R0.1 O=[N+]([O-])CCO AC1643 [0,2,0,0,0,0|1,0,1]=4 394 B5R0.3 C#CC(=O)OC P17723 [0,2,0,0,0,0|0,0,1]=3 395 B5R0.3 C#C[C@@H](O)CC 75224 [0,2,0,0,0,0|1,0,1]=4 396 B5R0.3 C=C(CBr)CBr 21111 [0,2,0,0,0,0|2,0,0]=4 397 B5R0.3 C=C(CCl)CCl 23001 [0,2,0,0,0,0|2,0,0]=4 398 B5R0.3 C=C(CO)CO 35347 [0,2,0,0,0,0|1,0,0]=3 399 B5R0.3 C=CC(=O)NC AB9590 [0,2,0,0,0,0|1,0,0]=3 400 B5R0.3 C=C[C@@H](O)CC F15421 [0,2,0,0,0,0|1,0,1]=4 401 B5R0.3 C=C[C@@H](O)CO D79949 [0,2,0,0,0,0|1,0,1]=4 402 B5R0.3 CC(CO)CO D71170 [0,2,0,0,0,0|0,0,2]=4 403 B5R0.3 CCC(=N)NO 22901 [0,2,0,0,0,0|1,0,0]=3 404 B5R0.3 CCC(=O)CBr F10475 [0,2,0,0,0,0|1,0,0]=3 405 B5R0.3 CCC(=O)CO C75383 [0,2,0,0,0,0|0,0,0]=2 406 B5R0.3 CCC(=O)NC D91338 [0,2,0,0,0,0|1,0,0]=3 407 B5R0.3 CCC(=O)NN 20641 [0,2,0,0,0,0|1,0,0]=3 408 B5R0.3 CCS(=O)CC D81870 [0,2,0,0,0,0|2,0,0]=4 409 B5R0.3 CC[C@H](C)CO 88664 [0,2,0,0,0,0|1,0,1]=4 410 B5R0.3 CC[C@H](N)CO 23160 [0,2,0,0,0,0|1,0,1]=4 411 B5R0.3 CC[C@H](N)CO D87517 [0,2,0,0,0,0|1,0,1]=4 412 B5R0.3 CC[C@H](N)CO F14569 [0,2,0,0,0,0|1,0,1]=4 413 B5R0.3 CC[C@H](O)CN D97409 [0,2,0,0,0,0|1,0,1]=4 414 B5R0.3 CC[C@H](O)CO C10640 [0,2,0,0,0,0|0,0,2]=4 415 B5R0.3 CC[C@H](O)CO O10222 [0,2,0,0,0,0|0,0,2]=4 416 B5R0.3 CNC(=O)CBr H10939 [0,2,0,0,0,0|1,0,0]=3 417 B5R0.3 CNC(=O)CCl 28994 [0,2,0,0,0,0|1,0,0]=3 418 B5R0.3 CNC(=O)CN AC1534 [0,2,0,0,0,0|1,0,0]=3 419 B5R0.3 CNC(=O)CN FD21644 [0,2,0,0,0,0|1,0,0]=3 420 B5R0.3 CNC(=O)NC P17517 [0,2,0,0,0,0|1,0,0]=3 421 B5R0.3 CNC(=O)OC 29564 [0,2,0,0,0,0|0,0,0]=2 422 B5R0.3 CNC(=S)NC D97815 [0,2,0,0,0,0|1,1,0]=4 423 B5R0.3 CNC(=S)NN D77757 [0,2,0,0,0,0|1,1,0]=4 424 B5R0.3 COC(=O)CN 20047 [0,2,0,0,0,0|0,0,0]=2 425 B5R0.3 COC(=O)CO 39413 [0,2,0,0,0,0|0,0,0]=2 426 B5R0.3 COC(=O)NN P17509 [0,2,0,0,0,0|1,0,0]=3 427 B5R0.3 COC(=O)SCl D91417 [0,2,0,0,0,0|0,1,0]=3 428 B5R0.3 CON(C)C=O F11046 [0,2,0,0,0,0|1,0,0]=3 429 B5R0.3 CO[C@@H](C)CN 91004 [0,2,0,0,0,0|1,0,1]=4 430 B5R0.3 CO[C@@H](C)CO 29137 [0,2,0,0,0,0|0,0,2]=4 431 B5R0.3 CO[C@@H](C)CO 35966 [0,2,0,0,0,0|0,0,2]=4 432 B5R0.3 CSC(=N)NN S12387 [0,2,0,0,0,0|2,0,0]=4 433 B5R0.3 CSC(=O)SC D89996 [0,2,0,0,0,0|0,1,0]=3 434 B5R0.3 CS\C(C)=N\O A11022 [0,2,0,0,0,0|0,1,0]=3 435 B5R0.3 C[C@@H](CN)CO 78445 [0,2,0,0,0,0|1,0,1]=4 436 B5R0.3 C[C@@H](CN)CO AB10326 [0,2,0,0,0,0|1,0,1]=4 437 B5R0.3 NC(CO)CO F10927 [0,2,0,0,0,0|1,0,1]=4 438 B5R0.3 NCC(O)CN O10345 [0,2,0,0,0,0|1,0,1]=4 439 B5R0.3 NC[C@H](O)CCl 91258 [0,2,0,0,0,0|1,0,1]=4 440 B5R0.3 NC[C@H](O)CCl F14970 [0,2,0,0,0,0|1,0,1]=4 441 B5R0.3 NC[C@H](O)CO 52095 [0,2,0,0,0,0|0,0,2]=4 442 B5R0.3 NC[C@H](O)CO CL4509 [0,2,0,0,0,0|0,0,2]=4 443 B5R0.3 NC[C@H](O)CO H10491 [0,2,0,0,0,0|0,0,2]=4 444 B5R0.3 NNC(=O)CCl F15553 [0,2,0,0,0,0|1,0,0]=3 445 B5R0.3 NNC(=O)CO 71926 [0,2,0,0,0,0|1,0,0]=3 446 B5R0.3 O=C(CBr)CBr 60498 [0,2,0,0,0,0|1,0,0]=3 447 B5R0.3 O=C(CCl)CCl 73299 [0,2,0,0,0,0|1,0,0]=3 448 B5R0.3 O=C(CO)CO S12381 [0,2,0,0,0,0|0,0,0]=2 449 B5R0.3 OC(CBr)CBr 90914 [0,2,0,0,0,0|1,0,1]=4 450 B5R0.3 OCC(O)CO C13300 [0,2,0,0,0,0|0,0,2]=4 451 B5R0.3 OCC(O)CO D92249 [0,2,0,0,0,0|0,0,2]=4 452 B5R0.3 OC[C@H](Cl)CCl D89647 [0,2,0,0,0,0|1,0,1]=4 453 B5R0.3 OC[C@H](O)CBr D84178 [0,2,0,0,0,0|0,0,2]=4 454 B5R0.3 OC[C@H](O)CCl 28070 [0,2,0,0,0,0|0,0,2]=4 455 B5R0.3 OC[C@H](O)CCl 28077 [0,2,0,0,0,0|0,0,2]=4 456 B5R0.3 OC[C@H](O)CS D92320 [0,2,0,0,0,0|0,0,2]=4 457 B5R0.3 OC[C@H](S)CS D89691 [0,2,0,0,0,0|0,1,1]=4 458 B5R0.3 O[C@@H](CCl)CI D79037 [0,2,0,0,0,0|1,0,1]=4 459 B5R0.3 O[C@@H](CCl)CI D79038 [0,2,0,0,0,0|1,0,1]=4 460 B5R0.4 C=CP(=O)(O)O AC8342 [0,2,0,0,0,0|1,0,1]=4 461 B5R0.4 C=CS(C)(=O)=O D95725 [0,2,0,0,0,0|1,0,1]=4 462 B5R0.4 CC(C)(Br)C=O A12011 [0,2,0,0,0,0|1,0,1]=4 463 B5R0.4 CC(C)(C)CO D78368 [0,2,0,0,0,0|1,0,1]=4 464 B5R0.4 CC(C)(C)N=O D95969 [0,2,0,0,0,0|1,0,1]=4 465 B5R0.4 CC(C)(C)NO 77596 [0,2,0,0,0,0|1,0,1]=4 466 B5R0.4 CC(C)(C)NO 77597 [0,2,0,0,0,0|1,0,1]=4 467 B5R0.4 CC(C)(C)ON 29937 [0,2,0,0,0,0|1,0,1]=4 468 B5R0.4 CC(C)(N)CO P20005 [0,2,0,0,0,0|1,0,1]=4 469 B5R0.4 CC(C)(O)CCl 28897 [0,2,0,0,0,0|1,0,1]=4 470 B5R0.4 CC(C)(O)CN 24534 [0,2,0,0,0,0|1,0,1]=4 471 B5R0.4 CC(C)(O)CN 62304 [0,2,0,0,0,0|1,0,1]=4 472 B5R0.4 CC(C)(O)CO 31979 [0,2,0,0,0,0|0,0,2]=4 473 B5R0.4 CC(F)(F)CO 60421 [0,2,0,0,0,0|1,0,1]=4 474 B5R0.4 CCS(=O)(=O)Cl D78105 [0,2,0,0,0,0|1,0,1]=4 475 B5R0.4 CCS(=O)(=O)O F20396 [0,2,0,0,0,0|1,0,0]=3 476 B5R0.4 CCS(C)(=O)=O A10776 [0,2,0,0,0,0|1,0,1]=4 477 B5R0.4 CCS(N)(=O)=O 35724 [0,2,0,0,0,0|1,0,1]=4 478 B5R0.4 CNS(C)(=O)=O AB2915 [0,2,0,0,0,0|1,0,1]=4 479 B5R0.4 COP(=O)(Cl)Cl D91398 [0,2,0,0,0,0|2,0,0]=4 480 B5R0.4 COS(=O)(=O)[O-] D91331 [0,2,0,0,0,0|1,0,1]=4 481 B5R0.4 COS(C)(=O)=O C10631 [0,2,0,0,0,0|1,0,0]=3 482 B5R0.4 CO[Si](C)(C)C D94568 [0,2,0,0,0,0|1,1,0]=4 483 B5R0.4 CSS(C)(=O)=O H10854 [0,2,0,0,0,0|1,0,1]=4 484 B5R0.4 C[Si](C)(C)CO S12036 [0,2,0,0,0,0|1,1,0]=4 485 B5R0.4 NCP(=O)(O)O 22854 [0,2,0,0,0,0|1,0,0]=3 486 B5R0.4 NOS(=O)(=O)[O-] D77993 [0,2,0,0,0,0|2,0,0]=4 487 B5R0.4 O=S(=O)([O-])CO D90827 [0,2,0,0,0,0|1,0,1]=4 488 B5R0.5 C=C(Br)C(=O)O AB10359 [0,2,0,0,0,0|0,0,1]=3 489 B5R0.5 C=C(C)C(=C)C F14891 [0,2,0,0,0,0|2,0,0]=4 490 B5R0.5 C=C(C)C(=O)[O-] F16474 [0,2,0,0,0,0|0,0,1]=3 491 B5R0.5 C=C(Cl)C(=O)O D93171 [0,2,0,0,0,0|0,0,1]=3 492 B5R0.5 C=C(F)C(=O)O 29128 [0,2,0,0,0,0|0,0,1]=3 493 B5R0.5 CC(=O)C(=O)[O-] D77796 [0,2,0,0,0,0|0,0,1]=3 494 B5R0.5 CC(=O)C(=O)[O-] D97786 [0,2,0,0,0,0|0,0,1]=3 495 B5R0.5 CC(=O)C(=O)[O-] H10783 [0,2,0,0,0,0|0,0,1]=3 496 B5R0.5 CC(=O)C(=O)[O-] H11289 [0,2,0,0,0,0|0,0,1]=3 497 B5R0.5 CC(=O)C(C)=O W18292 [0,2,0,0,0,0|0,0,1]=3 498 B5R0.5 CC(=O)C(F)F AC1257 [0,2,0,0,0,0|1,0,0]=3 499 B5R0.5 CC(=O)N(C)C D88939 [0,2,0,0,0,0|1,0,0]=3 500 B5R0.5 CC(=O)[C@H](C)Br AT12822 [0,2,0,0,0,0|1,0,0]=3 501 B5R0.5 CC(=O)[C@H](C)S D91540 [0,2,0,0,0,0|0,1,0]=3 502 B5R0.5 CC(C)=C(C)Br F16090 [0,2,0,0,0,0|2,0,0]=4 503 B5R0.5 CC(C)B(O)O 33150 [0,2,0,0,0,0|1,0,1]=4 504 B5R0.5 CC(C)C(=N)N 73979 [0,2,0,0,0,0|2,0,0]=4 505 B5R0.5 CC(C)C(=O)[O-] D91080 [0,2,0,0,0,0|0,0,1]=3 506 B5R0.5 CC(C)C(N)=O 28439 [0,2,0,0,0,0|1,0,0]=3 507 B5R0.5 CC(C)C(N)=S 80829 [0,2,0,0,0,0|1,1,0]=4 508 B5R0.5 CC(C)[N+](=O)[O-] D95323 [0,2,0,0,0,0|1,0,1]=4 509 B5R0.5 CC(O)C(=O)[O-] F16480 [0,2,0,0,0,0|0,0,1]=3 510 B5R0.5 CC(O)C(C)O F14836 [0,2,0,0,0,0|0,0,2]=4 511 B5R0.5 CC(O)C(C)S D91539 [0,2,0,0,0,0|0,1,1]=4 512 B5R0.5 CN(C)C(=N)N 71016 [0,2,0,0,0,0|2,0,0]=4 513 B5R0.5 CN(C)C(=S)Cl AT19615 [0,2,0,0,0,0|1,1,0]=4 514 B5R0.5 CN(C)C(=S)[S-] D89765 [0,2,0,0,0,0|0,2,0]=4 515 B5R0.5 CN(C)C(N)=O D89723 [0,2,0,0,0,0|1,0,0]=3 516 B5R0.5 CN(C)C(N)=S F19159 [0,2,0,0,0,0|1,1,0]=4 517 B5R0.5 CN(N)C(N)=S H11592 [0,2,0,0,0,0|1,1,0]=4 518 B5R0.5 C[C@H](Br)C(=O)Br 13146 [0,2,0,0,0,0|1,0,0]=3 519 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [0,2,0,0,0,0|1,0,0]=3 520 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,2,0,0,0,0|0,0,0]=2 521 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,2,0,0,0,0|0,0,0]=2 522 B5R0.5 C[C@H](Br)C(N)=O D71122 [0,2,0,0,0,0|1,0,0]=3 523 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [0,2,0,0,0,0|1,0,0]=3 524 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,2,0,0,0,0|0,0,0]=2 525 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,2,0,0,0,0|0,0,0]=2 526 B5R0.5 C[C@H](F)C(=O)O N12158 [0,2,0,0,0,0|0,0,0]=2 527 B5R0.5 C[C@H](N)C(=O)O 30773 [0,2,0,0,0,0|0,0,0]=2 528 B5R0.5 C[C@H](N)C(=O)O C75806 [0,2,0,0,0,0|0,0,0]=2 529 B5R0.5 C[C@H](N)C(=O)O D72543 [0,2,0,0,0,0|0,0,0]=2 530 B5R0.5 C[C@H](N)C(=O)O D84362 [0,2,0,0,0,0|0,0,0]=2 531 B5R0.5 C[C@H](N)C(N)=O 23091 [0,2,0,0,0,0|1,0,0]=3 532 B5R0.5 C[C@H](N)C(N)=O 30751 [0,2,0,0,0,0|1,0,0]=3 533 B5R0.5 C[C@H](N)C(N)=O 30913 [0,2,0,0,0,0|1,0,0]=3 534 B5R0.5 C[C@H](N)C(N)=O 34538 [0,2,0,0,0,0|1,0,0]=3 535 B5R0.5 C[C@H](O)C(=O)O D71144 [0,2,0,0,0,0|0,0,0]=2 536 B5R0.5 C[C@H](O)C(=O)O F14892 [0,2,0,0,0,0|0,0,0]=2 537 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,2,0,0,0,0|0,0,1]=3 538 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,2,0,0,0,0|0,0,1]=3 539 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,2,0,0,0,0|0,0,1]=3 540 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,2,0,0,0,0|0,0,1]=3 541 B5R0.5 C[C@H](O)[C@H](C)O C73651 [0,2,0,0,0,0|0,0,2]=4 542 B5R0.5 C[N+](C)=C(Cl)Cl D89890 [0,2,0,0,0,0|2,0,0]=4 543 B5R0.5 NC(=O)C(=O)O A10798 [0,2,0,0,0,0|0,0,1]=3 544 B5R0.5 NC(=O)C(=O)[O-] 78317 [0,2,0,0,0,0|0,0,2]=4 545 B5R0.5 NC(=O)C(=O)[O-] D91824 [0,2,0,0,0,0|0,0,2]=4 546 B5R0.5 NC(=O)C(Cl)Cl D89626 [0,2,0,0,0,0|1,0,0]=3 547 B5R0.5 NC(=O)C(F)F D76959 [0,2,0,0,0,0|1,0,0]=3 548 B5R0.5 NC(=O)C(N)=O D70377 [0,2,0,0,0,0|1,0,1]=4 549 B5R0.5 O=C(O)C(=O)O 35743 [0,2,0,0,0,0|0,0,1]=3 550 B5R0.5 O=C(O)C(=O)O C11246 [0,2,0,0,0,0|0,0,1]=3 551 B5R0.5 O=C(O)C(F)F FD2068 [0,2,0,0,0,0|0,0,0]=2 552 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [0,2,0,0,0,0|0,0,0]=2 553 B5R0.5 O=C([O-])C(=O)[O-] 11920 [0,2,0,0,0,0|0,0,2]=4 554 B5R0.5 O=C([O-])C(=O)[O-] C13296 [0,2,0,0,0,0|0,0,2]=4 555 B5R0.5 O=C([O-])C(Cl)Cl F12025 [0,2,0,0,0,0|0,0,1]=3 556 B5R1.2 BrC1COC1 CS1302 [0,1,0,1,0,0|1,0,1]=4 557 B5R1.2 C=C1CCC1 90960 [0,1,0,1,0,0|2,0,0]=4 558 B5R1.2 IC1COC1 66502 [0,1,0,1,0,0|1,0,1]=4 559 B5R1.2 NC1COC1 66129 [0,1,0,1,0,0|1,0,1]=4 560 B5R1.2 NC1COC1 CS1335 [0,1,0,1,0,0|1,0,1]=4 561 B5R1.2 O=C1CCC1 24502 [0,1,0,1,0,0|1,0,0]=3 562 B5R1.2 O=C1CCN1 52806 [0,1,0,1,0,0|1,0,0]=3 563 B5R1.2 O=C1CCO1 AT19319 [0,1,0,1,0,0|0,0,0]=2 564 B5R1.2 O=C1CNC1 51063 [0,1,0,1,0,0|1,0,0]=3 565 B5R1.2 O=C1COC1 66386 [0,1,0,1,0,0|0,0,0]=2 566 B5R1.2 O=C1CSC1 BL008272 [0,1,0,1,0,0|0,1,0]=3 567 B5R1.2 OC1CCC1 59166 [0,1,0,1,0,0|1,0,1]=4 568 B5R1.2 OC1CNC1 52824 [0,1,0,1,0,0|1,0,1]=4 569 B5R1.2 OC1COC1 66387 [0,1,0,1,0,0|0,0,2]=4 570 B5R1.2 OC1CSC1 P17229 [0,1,0,1,0,0|0,1,1]=4 571 B5R1.3 BrC[C@H]1CO1 D87836 [0,1,0,1,0,0|1,0,1]=4 572 B5R1.3 C=C[C@@H]1CO1 D90487 [0,1,0,1,0,0|1,0,1]=4 573 B5R1.3 CC[C@H]1CO1 A11382 [0,1,0,1,0,0|1,0,1]=4 574 B5R1.3 ClC[C@H]1CO1 37930 [0,1,0,1,0,0|1,0,1]=4 575 B5R1.3 O=CC1CC1 82833 [0,1,0,1,0,0|1,0,1]=4 576 B5R1.3 OC[C@H]1CO1 23077 [0,1,0,1,0,0|0,0,2]=4 577 B5R1.3 OC[C@H]1CO1 A10767 [0,1,0,1,0,0|0,0,2]=4 578 B5R1.3 OC[C@H]1CO1 H11320 [0,1,0,1,0,0|0,0,2]=4 579 B5R1.5 CC1(C)CO1 75298 [0,1,0,1,0,0|1,0,1]=4