0 B3R0.2 C=C(C)Br 28419 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 C=[N+](C)C D89898 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 CB(O)O 26076 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 CC(=O)O 29388 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)O C90337 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)S D92569 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 CC(=O)[O-] 35848 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.2 CC(=O)[O-] AC2542 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.2 CC(=O)[O-] AC2625 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.2 CC(=O)[O-] D70070 [0,0,0,0,0,0|2,0,1]=3 10 B3R0.2 CC(=O)[O-] D74466 [0,0,0,0,0,0|2,0,1]=3 11 B3R0.2 CC(=O)[O-] D74596 [0,0,0,0,0,0|2,0,1]=3 12 B3R0.2 CC(=O)[O-] D77673 [0,0,0,0,0,0|2,0,1]=3 13 B3R0.2 CC(=O)[O-] D77909 [0,0,0,0,0,0|2,0,1]=3 14 B3R0.2 CC(=O)[O-] D78215 [0,0,0,0,0,0|2,0,1]=3 15 B3R0.2 CC(=O)[O-] D78216 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.2 CC(=O)[O-] D81958 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.2 CC(=O)[O-] D84280 [0,0,0,0,0,0|2,0,1]=3 18 B3R0.2 CC(=O)[O-] D88447 [0,0,0,0,0,0|2,0,1]=3 19 B3R0.2 CC(=O)[O-] D91230 [0,0,0,0,0,0|2,0,1]=3 20 B3R0.2 CC(=O)[O-] D95368 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.2 CC(=O)[O-] D95676 [0,0,0,0,0,0|2,0,1]=3 22 B3R0.2 CC(=O)[O-] D95836 [0,0,0,0,0,0|2,0,1]=3 23 B3R0.2 CC(=O)[O-] D95949 [0,0,0,0,0,0|2,0,1]=3 24 B3R0.2 CC(=O)[O-] D95967 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.2 CC(=O)[O-] D95970 [0,0,0,0,0,0|2,0,1]=3 26 B3R0.2 CC(=O)[O-] D97851 [0,0,0,0,0,0|2,0,1]=3 27 B3R0.2 CC(=O)[O-] E70002 [0,0,0,0,0,0|2,0,1]=3 28 B3R0.2 CC(=O)[O-] H10718 [0,0,0,0,0,0|2,0,1]=3 29 B3R0.2 CC(C)Br D87619 [0,0,0,0,0,0|3,0,1]=4 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|2,0,2]=4 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|4,0,0]=4 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|4,0,0]=4 36 B3R0.2 CP(C)C F20488 [0,0,0,0,0,0|4,0,0]=4 37 B3R0.2 C[PH](C)=O 20677 [0,0,0,0,0,0|3,0,1]=4 38 B3R0.2 C[S+](C)Br D89000 [0,0,0,0,0,0|4,0,0]=4 39 B3R0.2 C[S+](C)C 11523 [0,0,0,0,0,0|4,0,0]=4 40 B3R0.2 C[S@](=O)[O-] 35930 [0,0,0,0,0,0|3,0,1]=4 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|1,0,0]=1 47 B3R0.2 N=C(N)N AT23545 [0,0,0,0,0,0|1,0,0]=1 48 B3R0.2 NC(=S)S 74779 [0,0,0,0,0,0|1,1,0]=2 49 B3R0.2 NC(N)=O D70446 [0,0,0,0,0,0|0,0,2]=2 50 B3R0.2 O=C(O)O D78214 [0,0,0,0,0,0|2,0,0]=2 51 B3R0.2 O=C([O-])[O-] 29292 [0,0,0,0,0,0|2,0,1]=3 52 B3R0.2 O=C([O-])[O-] AC2635 [0,0,0,0,0,0|2,0,1]=3 53 B3R0.2 O=C([O-])[O-] D95733 [0,0,0,0,0,0|2,0,1]=3 54 B3R0.2 O=C([O-])[O-] H12045 [0,0,0,0,0,0|2,0,1]=3 55 B3R0.2 O=[N+]([O-])[O-] AC2340 [0,0,0,0,0,0|3,0,1]=4 56 B3R0.2 O=[N+]([O-])[O-] D78339 [0,0,0,0,0,0|3,0,1]=4 57 B3R0.2 O=[N+]([O-])[O-] D95172 [0,0,0,0,0,0|3,0,1]=4 58 B3R0.2 O=[N+]([O-])[O-] D95621 [0,0,0,0,0,0|3,0,1]=4 59 B3R0.2 O=[N+]([O-])[O-] D95671 [0,0,0,0,0,0|3,0,1]=4 60 B3R0.2 O=[N+]([O-])[O-] D95736 [0,0,0,0,0,0|3,0,1]=4 61 B3R0.2 O=[N+]([O-])[O-] D95950 [0,0,0,0,0,0|3,0,1]=4 62 B3R0.2 O=[N+]([O-])[O-] D95955 [0,0,0,0,0,0|3,0,1]=4 63 B3R0.2 O=[N+]([O-])[O-] D95968 [0,0,0,0,0,0|3,0,1]=4 64 B3R0.2 O=[N+]([O-])[O-] S10441 [0,0,0,0,0,0|3,0,1]=4 65 B3R0.2 O=[V](=O)[O-] D78051 [0,0,0,0,0,0|3,0,1]=4 66 B3R0.2 OP(O)O F20662 [0,0,0,0,0,0|3,0,0]=3 67 B3R0.2 [O-]P([O-])O AT25587 [0,0,0,0,0,0|3,0,0]=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|2,0,0]=3 71 B2R0.1 CC#N 34239 [1,0,0,0,0,0|1,0,2]=4 72 B2R0.1 CC=O D78540 [1,0,0,0,0,0|1,0,1]=3 73 B2R0.1 CC[O-] D78336 [1,0,0,0,0,0|1,0,2]=4 74 B2R0.1 CC[S-] H10136 [1,0,0,0,0,0|1,1,1]=4 75 B2R0.1 CNO 77593 [1,0,0,0,0,0|2,0,0]=3 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|3,0,0]=4 78 B2R0.1 C[SnH4+2]C H11302 [1,0,0,0,0,0|3,0,0]=4 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|0,0,3]=4 81 B2R0.1 N#C[O-] D78265 [1,0,0,0,0,0|0,0,3]=4 82 B2R0.1 N#C[Se-] D94776 [1,0,0,0,0,0|0,1,2]=4 83 B2R0.1 N=CN 78939 [1,0,0,0,0,0|0,0,0]=1 84 B2R0.1 O=CO 43929 [1,0,0,0,0,0|1,0,0]=2 85 B2R0.1 O=CO D78097 [1,0,0,0,0,0|1,0,0]=2 86 B2R0.1 O=C[O-] D95946 [1,0,0,0,0,0|1,0,1]=3 87 B2R0.1 O=N[O-] D95565 [1,0,0,0,0,0|2,0,1]=4 88 B2R0.1 O=[13CH][O-] 41420 [1,0,0,0,0,0|1,0,1]=3 89 B2R0.1 O=[Ge]=O F20443 [1,0,0,0,0,0|1,1,1]=4 90 B2R0.1 O=[Si]=O C13405 [1,0,0,0,0,0|1,1,1]=4 91 B2R0.1 O=[Si]=O D78143 [1,0,0,0,0,0|1,1,1]=4 92 B2R0.1 O=[Te]=O D92683 [1,0,0,0,0,0|2,0,1]=4 93 B2R0.1 OPO AB10327 [1,0,0,0,0,0|2,0,0]=3 94 B2R0.1 [2H]OC D95537 [1,0,0,0,0,0|3,0,0]=4 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|1,0,2]=4 97 B2R0.1 [NH3][Pd+2][NH3] D81862 [1,0,0,0,0,0|1,0,2]=4 98 B4R0.1 C#CC(=O)O F10329 [0,1,0,0,0,0|2,0,0]=3 99 B4R0.1 C#CC(C)=O F52495 [0,1,0,0,0,0|2,0,1]=4 100 B4R0.1 C#CC(N)=O BL007595 [0,1,0,0,0,0|1,0,1]=3 101 B4R0.1 C#C[C@H](C)N P17981 [0,1,0,0,0,0|2,0,1]=4 102 B4R0.1 C#C[C@H](C)O 55689 [0,1,0,0,0,0|2,0,1]=4 103 B4R0.1 C#C[C@H](C)O F17654 [0,1,0,0,0,0|2,0,1]=4 104 B4R0.1 C=C(Br)CBr F15445 [0,1,0,0,0,0|3,0,0]=4 105 B4R0.1 C=C(Br)CO D84296 [0,1,0,0,0,0|2,0,0]=3 106 B4R0.1 C=C(C)C=O H10713 [0,1,0,0,0,0|2,0,1]=4 107 B4R0.1 C=C(C)CBr 29319 [0,1,0,0,0,0|3,0,0]=4 108 B4R0.1 C=C(C)CN 29496 [0,1,0,0,0,0|2,0,0]=3 109 B4R0.1 C=C(C)CO H10780 [0,1,0,0,0,0|2,0,0]=3 110 B4R0.1 C=C(Cl)CCl D97733 [0,1,0,0,0,0|3,0,0]=4 111 B4R0.1 C=CC(=O)[O-] D88317 [0,1,0,0,0,0|2,0,1]=4 112 B4R0.1 C=CC(=O)[O-] H10710 [0,1,0,0,0,0|2,0,1]=4 113 B4R0.1 C=C[C@H](C)O W13854 [0,1,0,0,0,0|2,0,1]=4 114 B4R0.1 C=NN(C)C T72047 [0,1,0,0,0,0|3,0,0]=4 115 B4R0.1 CC(=N)NO 74820 [0,1,0,0,0,0|1,0,0]=2 116 B4R0.1 CC(=O)CBr 76485 [0,1,0,0,0,0|2,0,1]=4 117 B4R0.1 CC(=O)CN 24448 [0,1,0,0,0,0|1,0,1]=3 118 B4R0.1 CC(=O)NBr 70825 [0,1,0,0,0,0|1,0,1]=3 119 B4R0.1 CC(=O)NN AB6005 [0,1,0,0,0,0|1,0,1]=3 120 B4R0.1 CC(=O)NO 78370 [0,1,0,0,0,0|1,0,1]=3 121 B4R0.1 CC(C)=CBr 29237 [0,1,0,0,0,0|3,0,0]=4 122 B4R0.1 CC(C)=NO D70154 [0,1,0,0,0,0|2,0,0]=3 123 B4R0.1 CC(C)CN D70621 [0,1,0,0,0,0|2,0,1]=4 124 B4R0.1 CC(C)NN 35766 [0,1,0,0,0,0|2,0,1]=4 125 B4R0.1 CC(C)NN C10400 [0,1,0,0,0,0|2,0,1]=4 126 B4R0.1 CC(C)NO 77595 [0,1,0,0,0,0|2,0,1]=4 127 B4R0.1 CC(C)ON 77602 [0,1,0,0,0,0|2,0,1]=4 128 B4R0.1 CCB(O)O 33051 [0,1,0,0,0,0|3,0,0]=4 129 B4R0.1 CCC(=N)N 65202 [0,1,0,0,0,0|1,0,0]=2 130 B4R0.1 CCC(N)=O O12053 [0,1,0,0,0,0|1,0,1]=3 131 B4R0.1 CCC(N)=S AT14776 [0,1,0,0,0,0|1,1,0]=3 132 B4R0.1 CC[C@H](C)O 70716 [0,1,0,0,0,0|2,0,1]=4 133 B4R0.1 CC[C@H](C)O 70832 [0,1,0,0,0,0|2,0,1]=4 134 B4R0.1 CN(C)N=O AT21751 [0,1,0,0,0,0|3,0,0]=4 135 B4R0.1 CN=C(N)N D91522 [0,1,0,0,0,0|1,0,0]=2 136 B4R0.1 CNC(=N)N P16886 [0,1,0,0,0,0|1,0,0]=2 137 B4R0.1 CNC(=O)Cl D81983 [0,1,0,0,0,0|1,0,1]=3 138 B4R0.1 CNC(C)C 39417 [0,1,0,0,0,0|2,0,1]=4 139 B4R0.1 CNC(N)=O AC8061 [0,1,0,0,0,0|0,0,2]=3 140 B4R0.1 CNN(C)C 66800 [0,1,0,0,0,0|3,0,0]=4 141 B4R0.1 COC(=N)N F11253 [0,1,0,0,0,0|0,0,0]=1 142 B4R0.1 COC(=N)N F14927 [0,1,0,0,0,0|0,0,0]=1 143 B4R0.1 COC(=N)N I11503 [0,1,0,0,0,0|0,0,0]=1 144 B4R0.1 COC(Cl)Cl D87753 [0,1,0,0,0,0|2,0,1]=4 145 B4R0.1 COC(N)=O D86342 [0,1,0,0,0,0|1,0,0]=2 146 B4R0.1 COP(Cl)Cl D91399 [0,1,0,0,0,0|3,0,0]=4 147 B4R0.1 CSC(=N)N 20543 [0,1,0,0,0,0|0,1,0]=2 148 B4R0.1 CSC(=N)N E70432 [0,1,0,0,0,0|0,1,0]=2 149 B4R0.1 CSC(C)=O D82067 [0,1,0,0,0,0|2,0,1]=4 150 B4R0.1 C[C@H](Cl)CO H11590 [0,1,0,0,0,0|2,0,1]=4 151 B4R0.1 C[C@H](Cl)CO O10168 [0,1,0,0,0,0|2,0,1]=4 152 B4R0.1 C[C@H](N)CN 35106 [0,1,0,0,0,0|1,0,2]=4 153 B4R0.1 C[C@H](N)CN P20461 [0,1,0,0,0,0|1,0,2]=4 154 B4R0.1 C[C@H](N)CO 28476 [0,1,0,0,0,0|1,0,1]=3 155 B4R0.1 C[C@H](N)CO 29970 [0,1,0,0,0,0|1,0,1]=3 156 B4R0.1 C[C@H](N)CO 29971 [0,1,0,0,0,0|1,0,1]=3 157 B4R0.1 C[C@H](O)CCl C10666 [0,1,0,0,0,0|2,0,1]=4 158 B4R0.1 C[C@H](O)CCl D87799 [0,1,0,0,0,0|2,0,1]=4 159 B4R0.1 C[C@H](O)CCl H11611 [0,1,0,0,0,0|2,0,1]=4 160 B4R0.1 C[C@H](O)CN 86259 [0,1,0,0,0,0|1,0,1]=3 161 B4R0.1 C[C@H](O)CN 86301 [0,1,0,0,0,0|1,0,1]=3 162 B4R0.1 C[C@H](O)CN A10592 [0,1,0,0,0,0|1,0,1]=3 163 B4R0.1 C[C@H](O)CO A11633 [0,1,0,0,0,0|2,0,1]=4 164 B4R0.1 C[C@H](O)CO A11634 [0,1,0,0,0,0|2,0,1]=4 165 B4R0.1 C\C(N)=N\O 35620 [0,1,0,0,0,0|1,0,0]=2 166 B4R0.1 N=C(N)CCl F11896 [0,1,0,0,0,0|1,0,0]=2 167 B4R0.1 N=C(N)CN 20106 [0,1,0,0,0,0|1,0,0]=2 168 B4R0.1 N=C(N)CO C10100 [0,1,0,0,0,0|0,0,0]=1 169 B4R0.1 N=C(N)NN A11354 [0,1,0,0,0,0|1,0,0]=2 170 B4R0.1 N=C(N)NN AC8587 [0,1,0,0,0,0|1,0,0]=2 171 B4R0.1 NC(=O)CBr 35276 [0,1,0,0,0,0|1,0,1]=3 172 B4R0.1 NC(=O)CI 25452 [0,1,0,0,0,0|1,0,1]=3 173 B4R0.1 NC(=O)CO D77798 [0,1,0,0,0,0|1,0,0]=2 174 B4R0.1 NC(=O)NO A10546 [0,1,0,0,0,0|1,0,0]=2 175 B4R0.1 NCC(=O)O D70890 [0,1,0,0,0,0|1,0,0]=2 176 B4R0.1 NCC(=O)O F21278 [0,1,0,0,0,0|1,0,0]=2 177 B4R0.1 NCC(=O)[O-] D70403 [0,1,0,0,0,0|1,0,1]=3 178 B4R0.1 NCC(=O)[O-] D77927 [0,1,0,0,0,0|1,0,1]=3 179 B4R0.1 NCC(=O)[O-] D84274 [0,1,0,0,0,0|1,0,1]=3 180 B4R0.1 NCC(=O)[O-] D95398 [0,1,0,0,0,0|1,0,1]=3 181 B4R0.1 NCC(F)F O10557 [0,1,0,0,0,0|2,0,1]=4 182 B4R0.1 NCC(N)=O 20652 [0,1,0,0,0,0|0,0,2]=3 183 B4R0.1 NCC(N)=O 58529 [0,1,0,0,0,0|0,0,2]=3 184 B4R0.1 NNC(N)=O D95915 [0,1,0,0,0,0|0,0,2]=3 185 B4R0.1 NNC(N)=S A10741 [0,1,0,0,0,0|0,1,1]=3 186 B4R0.1 O=C(Cl)CBr D87897 [0,1,0,0,0,0|2,0,1]=4 187 B4R0.1 O=C(Cl)SCl D89346 [0,1,0,0,0,0|2,0,1]=4 188 B4R0.1 O=C(O)CO D78078 [0,1,0,0,0,0|2,0,0]=3 189 B4R0.1 O=CC(=O)O D70821 [0,1,0,0,0,0|2,0,0]=3 190 B4R0.1 O=CC(=O)O F14188 [0,1,0,0,0,0|2,0,0]=3 191 B4R0.1 OCC(F)F FD2062 [0,1,0,0,0,0|2,0,1]=4 192 B4R0.1 ON=C(Br)Br 80656 [0,1,0,0,0,0|2,0,0]=3 193 B4R0.3 CC(C)(C)N D83855 [0,1,0,0,0,0|2,0,1]=4 194 B4R0.3 CC(C)(C)N D89117 [0,1,0,0,0,0|2,0,1]=4 195 B4R0.3 CC(C)(C)N F14004 [0,1,0,0,0,0|2,0,1]=4 196 B4R0.3 CP(=O)(O)O D95909 [0,1,0,0,0,0|3,0,0]=4 197 B4R0.3 CS(=O)(=O)O AT25153 [0,1,0,0,0,0|3,0,0]=4 198 B4R0.3 CS(C)(=N)=O F31251 [0,1,0,0,0,0|2,0,1]=4 199 B4R0.3 CS(N)(=O)=O AC7862 [0,1,0,0,0,0|2,0,1]=4 200 B4R0.3 NS(=O)(=O)Cl 30747 [0,1,0,0,0,0|2,0,1]=4 201 B4R0.3 NS(=O)(=O)[O-] D95248 [0,1,0,0,0,0|2,0,1]=4 202 B4R0.3 NS(=O)(=O)[O-] H10675 [0,1,0,0,0,0|2,0,1]=4 203 B4R0.3 NS(N)(=O)=O S12311 [0,1,0,0,0,0|1,0,2]=4 204 B4R0.3 O=P(O)(F)F D94280 [0,1,0,0,0,0|3,0,0]=4 205 B4R0.3 O=S(=O)(O)O D77746 [0,1,0,0,0,0|3,0,0]=4 206 B4R0.3 O=S(=O)(O)O H11038 [0,1,0,0,0,0|3,0,0]=4 207 B4R0.3 O=S(=O)([O-])O D90622 [0,1,0,0,0,0|3,0,0]=4 208 B4R0.3 O=[Mo](=O)(O)O D78107 [0,1,0,0,0,0|3,0,0]=4 209 B4R1.2 NC1CC1 P19977 [0,0,0,1,0,0|2,0,1]=4 210 B4R1.2 OC1CC1 87295 [0,0,0,1,0,0|2,0,1]=4 211 B1R0.1 CN N12122 [2,0,0,0,0,0|0,0,1]=3 212 B1R0.1 C[O-] S11669 [2,0,0,0,0,0|0,0,2]=4 213 B1R0.1 NN D78079 [2,0,0,0,0,0|0,0,1]=3 214 B1R0.1 NO D78016 [2,0,0,0,0,0|0,0,0]=2 215 B1R0.1 [C-]#N D78338 [2,0,0,0,0,0|0,0,2]=4 216 B1R0.1 [C-]#[O+] D80405 [2,0,0,0,0,0|0,0,2]=4 217 B1R0.1 [C-]#[O+] D81839 [2,0,0,0,0,0|0,0,2]=4 218 B1R0.1 [C-]#[O+] D90157 [2,0,0,0,0,0|0,0,2]=4 219 B1R0.1 [C-]#[O+] D94507 [2,0,0,0,0,0|0,0,2]=4 220 B1R0.1 [C-]#[O+] D94520 [2,0,0,0,0,0|0,0,2]=4 221 B1R0.1 [C-]#[O+] D94891 [2,0,0,0,0,0|0,0,2]=4 222 B1R0.1 [C-]#[O+] D95847 [2,0,0,0,0,0|0,0,2]=4 223 B1R0.1 [C-]#[O+] D95860 [2,0,0,0,0,0|0,0,2]=4 224 B3R0.1 Br\C=C/Br D89611 [1,1,0,0,0,0|2,0,0]=4 225 B3R0.1 C#CCN 65315 [1,1,0,0,0,0|1,0,1]=4 226 B3R0.1 C#CCN RB8001 [1,1,0,0,0,0|1,0,1]=4 227 B3R0.1 C=CCC F17161 [1,1,0,0,0,0|2,0,0]=4 228 B3R0.1 C=CCI D78530 [1,1,0,0,0,0|2,0,0]=4 229 B3R0.1 C=CC[Pd+] F10003 [1,1,0,0,0,0|2,0,0]=4 230 B3R0.1 CCCN D74104 [1,1,0,0,0,0|1,0,1]=4 231 B3R0.1 CCCN D80322 [1,1,0,0,0,0|1,0,1]=4 232 B3R0.1 CCNC 28743 [1,1,0,0,0,0|1,0,1]=4 233 B3R0.1 CCNC D78313 [1,1,0,0,0,0|1,0,1]=4 234 B3R0.1 CCNN D93746 [1,1,0,0,0,0|1,0,1]=4 235 B3R0.1 CCNO 77594 [1,1,0,0,0,0|1,0,1]=4 236 B3R0.1 CCON 35725 [1,1,0,0,0,0|1,0,1]=4 237 B3R0.1 CNNC F14608 [1,1,0,0,0,0|2,0,0]=4 238 B3R0.1 CNOC 60204 [1,1,0,0,0,0|2,0,0]=4 239 B3R0.1 COCBr D78328 [1,1,0,0,0,0|1,0,1]=4 240 B3R0.1 C\C=N\O F13401 [1,1,0,0,0,0|1,0,0]=3 241 B3R0.1 Cl\C=C\Cl H11307 [1,1,0,0,0,0|2,0,0]=4 242 B3R0.1 N#CCN 28451 [1,1,0,0,0,0|0,0,2]=4 243 B3R0.1 NCCBr 12331 [1,1,0,0,0,0|1,0,1]=4 244 B3R0.1 NCCCl D70641 [1,1,0,0,0,0|1,0,1]=4 245 B3R0.1 NCCF 22877 [1,1,0,0,0,0|1,0,1]=4 246 B3R0.1 NCCN T72638 [1,1,0,0,0,0|0,0,2]=4 247 B3R0.1 NCCO F17546 [1,1,0,0,0,0|0,0,1]=3 248 B3R0.1 NCCO P20022 [1,1,0,0,0,0|0,0,1]=3 249 B3R0.1 NCCS D70222 [1,1,0,0,0,0|0,1,1]=4 250 B3R0.1 NCCS D88299 [1,1,0,0,0,0|0,1,1]=4 251 B3R0.1 NNC=O F11944 [1,1,0,0,0,0|0,0,1]=3 252 B5R0.1 C#CCC(=O)O F14007 [0,2,0,0,0,0|2,0,0]=4 253 B5R0.1 C=C(C)OCC 78535 [0,2,0,0,0,0|2,0,0]=4 254 B5R0.1 C=CCC(=O)O H10768 [0,2,0,0,0,0|2,0,0]=4 255 B5R0.1 C=CNC(C)=O D92786 [0,2,0,0,0,0|1,0,1]=4 256 B5R0.1 C=NCC(N)=O D97705 [0,2,0,0,0,0|0,0,1]=3 257 B5R0.1 CC#CC(=O)O 66664 [0,2,0,0,0,0|2,0,0]=4 258 B5R0.1 CC(=O)CCO 55787 [0,2,0,0,0,0|2,0,0]=4 259 B5R0.1 CC(=O)NCO FD10622 [0,2,0,0,0,0|1,0,1]=4 260 B5R0.1 CC(=O)OCBr A12670 [0,2,0,0,0,0|2,0,0]=4 261 B5R0.1 CC(=O)OCCl D78132 [0,2,0,0,0,0|2,0,0]=4 262 B5R0.1 CC(=O)\C=N\O D72887 [0,2,0,0,0,0|1,0,1]=4 263 B5R0.1 CC(C)=CCO F20316 [0,2,0,0,0,0|2,0,0]=4 264 B5R0.1 CCCC(=N)N W10324 [0,2,0,0,0,0|1,0,0]=3 265 B5R0.1 CCCC(N)=O D70204 [0,2,0,0,0,0|1,0,1]=4 266 B5R0.1 CCNC(C)=O AC2513 [0,2,0,0,0,0|1,0,1]=4 267 B5R0.1 CCNC(N)=O D95291 [0,2,0,0,0,0|0,0,2]=4 268 B5R0.1 CCOC(=S)[S-] D78138 [0,2,0,0,0,0|2,0,0]=4 269 B5R0.1 CCOC(=S)[S-] D90455 [0,2,0,0,0,0|2,0,0]=4 270 B5R0.1 CCOC(C)=N D70134 [0,2,0,0,0,0|1,0,0]=3 271 B5R0.1 CCOC(N)=O F21294 [0,2,0,0,0,0|1,0,0]=3 272 B5R0.1 CCSC(=N)N D86401 [0,2,0,0,0,0|0,1,0]=3 273 B5R0.1 CC[O+]=C(N)N 35842 [0,2,0,0,0,0|0,0,2]=4 274 B5R0.1 CNCC(=O)O 73735 [0,2,0,0,0,0|1,0,0]=3 275 B5R0.1 CNCC(=O)O AC7804 [0,2,0,0,0,0|1,0,0]=3 276 B5R0.1 CNCC(N)=O A11560 [0,2,0,0,0,0|0,0,2]=4 277 B5R0.1 COCC(=N)N 20309 [0,2,0,0,0,0|0,0,0]=2 278 B5R0.1 COCC(=O)Cl D78222 [0,2,0,0,0,0|2,0,0]=4 279 B5R0.1 COCC(=O)O D77874 [0,2,0,0,0,0|2,0,0]=4 280 B5R0.1 COCC(C)=O D91400 [0,2,0,0,0,0|2,0,0]=4 281 B5R0.1 COCC(N)=O F20983 [0,2,0,0,0,0|1,0,0]=3 282 B5R0.1 CSCC(=O)O F15988 [0,2,0,0,0,0|2,0,0]=4 283 B5R0.1 CSCC(N)=O 23231 [0,2,0,0,0,0|1,0,1]=4 284 B5R0.1 C[C@H](N)CCO 36141 [0,2,0,0,0,0|1,0,1]=4 285 B5R0.1 C[C@H](N)CCO 36142 [0,2,0,0,0,0|1,0,1]=4 286 B5R0.1 C[C@H](N)CCO F11725 [0,2,0,0,0,0|1,0,1]=4 287 B5R0.1 C[C@H](O)CNN 71999 [0,2,0,0,0,0|1,0,1]=4 288 B5R0.1 C\C(N)=C/C#N F19804 [0,2,0,0,0,0|1,0,1]=4 289 B5R0.1 C\C=C\C(=O)O RB8002 [0,2,0,0,0,0|2,0,0]=4 290 B5R0.1 N#CCC(=O)O P20002 [0,2,0,0,0,0|1,0,1]=4 291 B5R0.1 N#CCC(N)=O W18657 [0,2,0,0,0,0|0,0,2]=4 292 B5R0.1 N#CCC(N)=S AT19945 [0,2,0,0,0,0|0,1,1]=4 293 B5R0.1 N#CNC(=N)N D78355 [0,2,0,0,0,0|1,0,0]=3 294 B5R0.1 NC(=O)CCBr C16124 [0,2,0,0,0,0|1,0,1]=4 295 B5R0.1 NCCC(N)=O F13534 [0,2,0,0,0,0|0,0,2]=4 296 B5R0.1 NOCC(=O)O H11929 [0,2,0,0,0,0|1,0,0]=3 297 B5R0.1 O=C(Cl)OCCl H11933 [0,2,0,0,0,0|2,0,0]=4 298 B5R0.1 O=C(O)CCBr P17146 [0,2,0,0,0,0|2,0,0]=4 299 B5R0.1 O=C(O)CCF 71324 [0,2,0,0,0,0|2,0,0]=4 300 B5R0.1 O=C(O)CCI D91073 [0,2,0,0,0,0|2,0,0]=4 301 B5R0.1 O=C(O)CCO 77998 [0,2,0,0,0,0|2,0,0]=4 302 B5R0.1 O=C(O)CCS AT21041 [0,2,0,0,0,0|2,0,0]=4 303 B5R0.1 O=C(O)\C=C/Cl H10108 [0,2,0,0,0,0|2,0,0]=4 304 B5R0.3 C#CC(=O)OC P17723 [0,2,0,0,0,0|2,0,0]=4 305 B5R0.3 C=C(CO)CO 35347 [0,2,0,0,0,0|2,0,0]=4 306 B5R0.3 C=CC(=O)NC AB9590 [0,2,0,0,0,0|1,0,1]=4 307 B5R0.3 CCC(=N)NO 22901 [0,2,0,0,0,0|1,0,0]=3 308 B5R0.3 CCC(=O)CO C75383 [0,2,0,0,0,0|2,0,0]=4 309 B5R0.3 CCC(=O)NC D91338 [0,2,0,0,0,0|1,0,1]=4 310 B5R0.3 CCC(=O)NN 20641 [0,2,0,0,0,0|1,0,1]=4 311 B5R0.3 CC[C@H](N)CO 23160 [0,2,0,0,0,0|1,0,1]=4 312 B5R0.3 CC[C@H](N)CO D87517 [0,2,0,0,0,0|1,0,1]=4 313 B5R0.3 CC[C@H](N)CO F14569 [0,2,0,0,0,0|1,0,1]=4 314 B5R0.3 CC[C@H](O)CN D97409 [0,2,0,0,0,0|1,0,1]=4 315 B5R0.3 CNC(=O)CBr H10939 [0,2,0,0,0,0|1,0,1]=4 316 B5R0.3 CNC(=O)CCl 28994 [0,2,0,0,0,0|1,0,1]=4 317 B5R0.3 CNC(=O)CN AC1534 [0,2,0,0,0,0|0,0,2]=4 318 B5R0.3 CNC(=O)CN FD21644 [0,2,0,0,0,0|0,0,2]=4 319 B5R0.3 CNC(=O)NC P17517 [0,2,0,0,0,0|0,0,2]=4 320 B5R0.3 CNC(=O)OC 29564 [0,2,0,0,0,0|1,0,0]=3 321 B5R0.3 CNC(=S)NC D97815 [0,2,0,0,0,0|0,1,1]=4 322 B5R0.3 CNC(=S)NN D77757 [0,2,0,0,0,0|0,1,1]=4 323 B5R0.3 COC(=O)CN 20047 [0,2,0,0,0,0|1,0,0]=3 324 B5R0.3 COC(=O)CO 39413 [0,2,0,0,0,0|2,0,0]=4 325 B5R0.3 COC(=O)NN P17509 [0,2,0,0,0,0|1,0,0]=3 326 B5R0.3 COC(=O)SCl D91417 [0,2,0,0,0,0|2,0,0]=4 327 B5R0.3 CO[C@@H](C)CN 91004 [0,2,0,0,0,0|1,0,1]=4 328 B5R0.3 CSC(=N)NN S12387 [0,2,0,0,0,0|0,1,0]=3 329 B5R0.3 CS\C(C)=N\O A11022 [0,2,0,0,0,0|1,1,0]=4 330 B5R0.3 C[C@@H](CN)CO 78445 [0,2,0,0,0,0|1,0,1]=4 331 B5R0.3 C[C@@H](CN)CO AB10326 [0,2,0,0,0,0|1,0,1]=4 332 B5R0.3 N=C(NN)NN F15434 [0,2,0,0,0,0|1,0,0]=3 333 B5R0.3 NC(CO)CO F10927 [0,2,0,0,0,0|1,0,1]=4 334 B5R0.3 NCC(O)CN O10345 [0,2,0,0,0,0|0,0,2]=4 335 B5R0.3 NC[C@H](O)CCl 91258 [0,2,0,0,0,0|1,0,1]=4 336 B5R0.3 NC[C@H](O)CCl F14970 [0,2,0,0,0,0|1,0,1]=4 337 B5R0.3 NC[C@H](O)CO 52095 [0,2,0,0,0,0|1,0,1]=4 338 B5R0.3 NC[C@H](O)CO CL4509 [0,2,0,0,0,0|1,0,1]=4 339 B5R0.3 NC[C@H](O)CO H10491 [0,2,0,0,0,0|1,0,1]=4 340 B5R0.3 NNC(=O)CCl F15553 [0,2,0,0,0,0|1,0,1]=4 341 B5R0.3 NNC(=O)CO 71926 [0,2,0,0,0,0|1,0,0]=3 342 B5R0.3 O=C(CO)CO S12381 [0,2,0,0,0,0|2,0,0]=4 343 B5R0.4 CC(C)(N)CO P20005 [0,2,0,0,0,0|1,0,1]=4 344 B5R0.4 CC(C)(O)CN 24534 [0,2,0,0,0,0|1,0,1]=4 345 B5R0.4 CC(C)(O)CN 62304 [0,2,0,0,0,0|1,0,1]=4 346 B5R0.4 NCP(=O)(O)O 22854 [0,2,0,0,0,0|2,0,0]=4 347 B5R0.5 C=C(Br)C(=O)O AB10359 [0,2,0,0,0,0|2,0,0]=4 348 B5R0.5 C=C(Cl)C(=O)O D93171 [0,2,0,0,0,0|2,0,0]=4 349 B5R0.5 C=C(F)C(=O)O 29128 [0,2,0,0,0,0|2,0,0]=4 350 B5R0.5 CC(=O)N(C)C D88939 [0,2,0,0,0,0|1,0,1]=4 351 B5R0.5 CC(C)C(=N)N 73979 [0,2,0,0,0,0|1,0,0]=3 352 B5R0.5 CC(C)C(N)=O 28439 [0,2,0,0,0,0|1,0,1]=4 353 B5R0.5 CC(C)C(N)=S 80829 [0,2,0,0,0,0|1,1,0]=4 354 B5R0.5 CC(O)C(=O)[O-] F16480 [0,2,0,0,0,0|2,0,0]=4 355 B5R0.5 CN(C)C(=N)N 71016 [0,2,0,0,0,0|1,0,0]=3 356 B5R0.5 CN(C)C(=S)Cl AT19615 [0,2,0,0,0,0|1,1,0]=4 357 B5R0.5 CN(C)C(=S)[S-] D89765 [0,2,0,0,0,0|1,1,0]=4 358 B5R0.5 CN(C)C(N)=O D89723 [0,2,0,0,0,0|0,0,2]=4 359 B5R0.5 CN(C)C(N)=S F19159 [0,2,0,0,0,0|0,1,1]=4 360 B5R0.5 CN(N)C(N)=S H11592 [0,2,0,0,0,0|0,1,1]=4 361 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,2,0,0,0,0|2,0,0]=4 362 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,2,0,0,0,0|2,0,0]=4 363 B5R0.5 C[C@H](Br)C(N)=O D71122 [0,2,0,0,0,0|1,0,1]=4 364 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,2,0,0,0,0|2,0,0]=4 365 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,2,0,0,0,0|2,0,0]=4 366 B5R0.5 C[C@H](F)C(=O)O N12158 [0,2,0,0,0,0|2,0,0]=4 367 B5R0.5 C[C@H](N)C(=O)O 30773 [0,2,0,0,0,0|1,0,0]=3 368 B5R0.5 C[C@H](N)C(=O)O C75806 [0,2,0,0,0,0|1,0,0]=3 369 B5R0.5 C[C@H](N)C(=O)O D72543 [0,2,0,0,0,0|1,0,0]=3 370 B5R0.5 C[C@H](N)C(=O)O D84362 [0,2,0,0,0,0|1,0,0]=3 371 B5R0.5 C[C@H](N)C(N)=O 23091 [0,2,0,0,0,0|0,0,2]=4 372 B5R0.5 C[C@H](N)C(N)=O 30751 [0,2,0,0,0,0|0,0,2]=4 373 B5R0.5 C[C@H](N)C(N)=O 30913 [0,2,0,0,0,0|0,0,2]=4 374 B5R0.5 C[C@H](N)C(N)=O 34538 [0,2,0,0,0,0|0,0,2]=4 375 B5R0.5 C[C@H](O)C(=O)O D71144 [0,2,0,0,0,0|2,0,0]=4 376 B5R0.5 C[C@H](O)C(=O)O F14892 [0,2,0,0,0,0|2,0,0]=4 377 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,2,0,0,0,0|2,0,0]=4 378 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,2,0,0,0,0|2,0,0]=4 379 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,2,0,0,0,0|2,0,0]=4 380 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,2,0,0,0,0|1,0,0]=3 381 B5R0.5 NC(=O)C(=O)O A10798 [0,2,0,0,0,0|1,0,0]=3 382 B5R0.5 NC(=O)C(=O)[O-] 78317 [0,2,0,0,0,0|1,0,1]=4 383 B5R0.5 NC(=O)C(=O)[O-] D91824 [0,2,0,0,0,0|1,0,1]=4 384 B5R0.5 NC(=O)C(Cl)Cl D89626 [0,2,0,0,0,0|1,0,1]=4 385 B5R0.5 NC(=O)C(F)F D76959 [0,2,0,0,0,0|1,0,1]=4 386 B5R0.5 NC(=O)C(N)=O D70377 [0,2,0,0,0,0|0,0,2]=4 387 B5R0.5 O=C(O)C(=O)O 35743 [0,2,0,0,0,0|2,0,0]=4 388 B5R0.5 O=C(O)C(=O)O C11246 [0,2,0,0,0,0|2,0,0]=4 389 B5R0.5 O=C(O)C(F)F FD2068 [0,2,0,0,0,0|2,0,0]=4 390 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [0,2,0,0,0,0|2,0,0]=4 391 B5R1.2 NC1COC1 66129 [0,1,0,1,0,0|1,0,1]=4 392 B5R1.2 NC1COC1 CS1335 [0,1,0,1,0,0|1,0,1]=4 393 B5R1.2 O=C1CCN1 52806 [0,1,0,1,0,0|1,0,1]=4 394 B5R1.2 O=C1CCO1 AT19319 [0,1,0,1,0,0|2,0,0]=4 395 B5R1.2 O=C1CNC1 51063 [0,1,0,1,0,0|1,0,1]=4 396 B5R1.2 O=C1COC1 66386 [0,1,0,1,0,0|2,0,0]=4 397 B5R1.2 OC1CNC1 52824 [0,1,0,1,0,0|1,0,1]=4