0 B3R0.2 C=C(C)Br 28419 [0,0,0,0,0,0|4,0,0]=4 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|2,0,1]=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|2,1,0]=3 6 B3R0.2 CC(=O)[O-] 35848 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=O)[O-] AC2542 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(=O)[O-] AC2625 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(=O)[O-] D70070 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CC(=O)[O-] D74466 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 CC(=O)[O-] D74596 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.2 CC(=O)[O-] D77673 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.2 CC(=O)[O-] D77909 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.2 CC(=O)[O-] D78215 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.2 CC(=O)[O-] D78216 [0,0,0,0,0,0|2,0,0]=2 16 B3R0.2 CC(=O)[O-] D81958 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.2 CC(=O)[O-] D84280 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.2 CC(=O)[O-] D88447 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.2 CC(=O)[O-] D91230 [0,0,0,0,0,0|2,0,0]=2 20 B3R0.2 CC(=O)[O-] D95368 [0,0,0,0,0,0|2,0,0]=2 21 B3R0.2 CC(=O)[O-] D95676 [0,0,0,0,0,0|2,0,0]=2 22 B3R0.2 CC(=O)[O-] D95836 [0,0,0,0,0,0|2,0,0]=2 23 B3R0.2 CC(=O)[O-] D95949 [0,0,0,0,0,0|2,0,0]=2 24 B3R0.2 CC(=O)[O-] D95967 [0,0,0,0,0,0|2,0,0]=2 25 B3R0.2 CC(=O)[O-] D95970 [0,0,0,0,0,0|2,0,0]=2 26 B3R0.2 CC(=O)[O-] D97851 [0,0,0,0,0,0|2,0,0]=2 27 B3R0.2 CC(=O)[O-] E70002 [0,0,0,0,0,0|2,0,0]=2 28 B3R0.2 CC(=O)[O-] H10718 [0,0,0,0,0,0|2,0,0]=2 29 B3R0.2 CC(C)Br D87619 [0,0,0,0,0,0|4,0,0]=4 30 B3R0.2 CC(C)N A10746 [0,0,0,0,0,0|4,0,0]=4 31 B3R0.2 CC(C)[O-] T72011 [0,0,0,0,0,0|3,0,0]=3 32 B3R0.2 CC(N)=S D70870 [0,0,0,0,0,0|3,1,0]=4 33 B3R0.2 CN(C)C F19571 [0,0,0,0,0,0|3,0,1]=4 34 B3R0.2 CN(C)N H10568 [0,0,0,0,0,0|3,0,1]=4 35 B3R0.2 CP(C)C D81836 [0,0,0,0,0,0|3,1,0]=4 36 B3R0.2 CP(C)C F20488 [0,0,0,0,0,0|3,1,0]=4 37 B3R0.2 C[PH](C)=O 20677 [0,0,0,0,0,0|2,1,0]=3 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|2,0,0]=2 41 B3R0.2 ClC(Br)Br D89312 [0,0,0,0,0,0|4,0,0]=4 42 B3R0.2 ClC(Cl)Br F17746 [0,0,0,0,0,0|4,0,0]=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|4,0,0]=4 45 B3R0.2 IC(I)I S12111 [0,0,0,0,0,0|4,0,0]=4 46 B3R0.2 N=C(N)Cl 43148 [0,0,0,0,0,0|4,0,0]=4 47 B3R0.2 N=C(N)N AT23545 [0,0,0,0,0,0|4,0,0]=4 48 B3R0.2 NC(=S)S 74779 [0,0,0,0,0,0|2,2,0]=4 49 B3R0.2 NC(N)=O D70446 [0,0,0,0,0,0|3,0,0]=3 50 B3R0.2 O=C(O)O D78214 [0,0,0,0,0,0|1,0,1]=2 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|0,0,1]=1 56 B3R0.2 O=[N+]([O-])[O-] D78339 [0,0,0,0,0,0|0,0,1]=1 57 B3R0.2 O=[N+]([O-])[O-] D95172 [0,0,0,0,0,0|0,0,1]=1 58 B3R0.2 O=[N+]([O-])[O-] D95621 [0,0,0,0,0,0|0,0,1]=1 59 B3R0.2 O=[N+]([O-])[O-] D95671 [0,0,0,0,0,0|0,0,1]=1 60 B3R0.2 O=[N+]([O-])[O-] D95736 [0,0,0,0,0,0|0,0,1]=1 61 B3R0.2 O=[N+]([O-])[O-] D95950 [0,0,0,0,0,0|0,0,1]=1 62 B3R0.2 O=[N+]([O-])[O-] D95955 [0,0,0,0,0,0|0,0,1]=1 63 B3R0.2 O=[N+]([O-])[O-] D95968 [0,0,0,0,0,0|0,0,1]=1 64 B3R0.2 O=[N+]([O-])[O-] S10441 [0,0,0,0,0,0|0,0,1]=1 65 B3R0.2 O=[V](=O)[O-] D78051 [0,0,0,0,0,0|1,0,1]=2 66 B3R0.2 OP(O)O F20662 [0,0,0,0,0,0|0,1,2]=3 67 B3R0.2 [O-]P([O-])O AT25587 [0,0,0,0,0,0|0,1,1]=2 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|3,0,0]=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|3,0,0]=4 72 B2R0.1 CC=O D78540 [1,0,0,0,0,0|2,0,0]=3 73 B2R0.1 CC[O-] D78336 [1,0,0,0,0,0|2,0,0]=3 74 B2R0.1 CC[S-] H10136 [1,0,0,0,0,0|2,1,0]=4 75 B2R0.1 CNO 77593 [1,0,0,0,0,0|1,0,1]=3 76 B2R0.1 CON C93493 [1,0,0,0,0,0|3,0,0]=4 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|3,0,0]=4 80 B2R0.1 N#C[O-] D78243 [1,0,0,0,0,0|2,0,0]=3 81 B2R0.1 N#C[O-] D78265 [1,0,0,0,0,0|2,0,0]=3 82 B2R0.1 N#C[Se-] D94776 [1,0,0,0,0,0|2,1,0]=4 83 B2R0.1 N=CN 78939 [1,0,0,0,0,0|3,0,0]=4 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|1,0,0]=2 87 B2R0.1 O=N[O-] D95565 [1,0,0,0,0,0|0,0,1]=2 88 B2R0.1 O=[13CH][O-] 41420 [1,0,0,0,0,0|1,0,0]=2 89 B2R0.1 O=[Ge]=O F20443 [1,0,0,0,0,0|1,0,1]=3 90 B2R0.1 O=[Si]=O C13405 [1,0,0,0,0,0|1,0,1]=3 91 B2R0.1 O=[Si]=O D78143 [1,0,0,0,0,0|1,0,1]=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|0,1,1]=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|3,0,0]=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|2,0,0]=3 99 B4R0.1 C#CC(C)=O F52495 [0,1,0,0,0,0|3,0,0]=4 100 B4R0.1 C#CC(N)=O BL007595 [0,1,0,0,0,0|3,0,0]=4 101 B4R0.1 C#C[C@H](C)O 55689 [0,1,0,0,0,0|3,0,0]=4 102 B4R0.1 C#C[C@H](C)O F17654 [0,1,0,0,0,0|3,0,0]=4 103 B4R0.1 C=C(Br)CO D84296 [0,1,0,0,0,0|3,0,0]=4 104 B4R0.1 C=C(C)C=O H10713 [0,1,0,0,0,0|3,0,0]=4 105 B4R0.1 C=C(C)CO H10780 [0,1,0,0,0,0|3,0,0]=4 106 B4R0.1 C=CC(=O)[O-] D88317 [0,1,0,0,0,0|2,0,0]=3 107 B4R0.1 C=CC(=O)[O-] H10710 [0,1,0,0,0,0|2,0,0]=3 108 B4R0.1 C=C[C@H](C)O W13854 [0,1,0,0,0,0|3,0,0]=4 109 B4R0.1 CC(=N)NO 74820 [0,1,0,0,0,0|3,0,0]=4 110 B4R0.1 CC(=O)CBr 76485 [0,1,0,0,0,0|3,0,0]=4 111 B4R0.1 CC(=O)CN 24448 [0,1,0,0,0,0|3,0,0]=4 112 B4R0.1 CC(=O)NBr 70825 [0,1,0,0,0,0|3,0,0]=4 113 B4R0.1 CC(=O)NN AB6005 [0,1,0,0,0,0|3,0,0]=4 114 B4R0.1 CC(=O)NO 78370 [0,1,0,0,0,0|2,0,0]=3 115 B4R0.1 CC(C)=NO D70154 [0,1,0,0,0,0|3,0,0]=4 116 B4R0.1 CC(C)NO 77595 [0,1,0,0,0,0|3,0,0]=4 117 B4R0.1 CC(C)ON 77602 [0,1,0,0,0,0|3,0,0]=4 118 B4R0.1 CCB(O)O 33051 [0,1,0,0,0,0|2,0,1]=4 119 B4R0.1 CCC(N)=O O12053 [0,1,0,0,0,0|3,0,0]=4 120 B4R0.1 CC[C@H](C)O 70716 [0,1,0,0,0,0|3,0,0]=4 121 B4R0.1 CC[C@H](C)O 70832 [0,1,0,0,0,0|3,0,0]=4 122 B4R0.1 CC[S@](=O)[O-] F16489 [0,1,0,0,0,0|2,0,0]=3 123 B4R0.1 CN(C)N=O AT21751 [0,1,0,0,0,0|2,0,1]=4 124 B4R0.1 CNC(=O)Cl D81983 [0,1,0,0,0,0|3,0,0]=4 125 B4R0.1 CNC(N)=O AC8061 [0,1,0,0,0,0|3,0,0]=4 126 B4R0.1 COC(=N)N F11253 [0,1,0,0,0,0|3,0,0]=4 127 B4R0.1 COC(=N)N F14927 [0,1,0,0,0,0|3,0,0]=4 128 B4R0.1 COC(=N)N I11503 [0,1,0,0,0,0|3,0,0]=4 129 B4R0.1 COC(Cl)Cl D87753 [0,1,0,0,0,0|3,0,0]=4 130 B4R0.1 COC(N)=O D86342 [0,1,0,0,0,0|2,0,0]=3 131 B4R0.1 COP(Cl)Cl D91399 [0,1,0,0,0,0|2,1,0]=4 132 B4R0.1 CSC(C)=O D82067 [0,1,0,0,0,0|2,1,0]=4 133 B4R0.1 C[C@H](Cl)CO H11590 [0,1,0,0,0,0|3,0,0]=4 134 B4R0.1 C[C@H](Cl)CO O10168 [0,1,0,0,0,0|3,0,0]=4 135 B4R0.1 C[C@H](N)CO 28476 [0,1,0,0,0,0|3,0,0]=4 136 B4R0.1 C[C@H](N)CO 29970 [0,1,0,0,0,0|3,0,0]=4 137 B4R0.1 C[C@H](N)CO 29971 [0,1,0,0,0,0|3,0,0]=4 138 B4R0.1 C[C@H](O)CCl C10666 [0,1,0,0,0,0|3,0,0]=4 139 B4R0.1 C[C@H](O)CCl D87799 [0,1,0,0,0,0|3,0,0]=4 140 B4R0.1 C[C@H](O)CCl H11611 [0,1,0,0,0,0|3,0,0]=4 141 B4R0.1 C[C@H](O)CN 86259 [0,1,0,0,0,0|3,0,0]=4 142 B4R0.1 C[C@H](O)CN 86301 [0,1,0,0,0,0|3,0,0]=4 143 B4R0.1 C[C@H](O)CN A10592 [0,1,0,0,0,0|3,0,0]=4 144 B4R0.1 C[C@H](O)CO A11633 [0,1,0,0,0,0|2,0,1]=4 145 B4R0.1 C[C@H](O)CO A11634 [0,1,0,0,0,0|2,0,1]=4 146 B4R0.1 C[N+](C)=CCl D89427 [0,1,0,0,0,0|3,0,0]=4 147 B4R0.1 C\C(N)=N\O 35620 [0,1,0,0,0,0|3,0,0]=4 148 B4R0.1 N=C(N)CO C10100 [0,1,0,0,0,0|3,0,0]=4 149 B4R0.1 NC(=O)CBr 35276 [0,1,0,0,0,0|3,0,0]=4 150 B4R0.1 NC(=O)CI 25452 [0,1,0,0,0,0|3,0,0]=4 151 B4R0.1 NC(=O)CO D77798 [0,1,0,0,0,0|2,0,0]=3 152 B4R0.1 NC(=O)NO A10546 [0,1,0,0,0,0|2,0,0]=3 153 B4R0.1 NCC(=O)O D70890 [0,1,0,0,0,0|2,0,0]=3 154 B4R0.1 NCC(=O)O F21278 [0,1,0,0,0,0|2,0,0]=3 155 B4R0.1 NCC(=O)[O-] D70403 [0,1,0,0,0,0|2,0,0]=3 156 B4R0.1 NCC(=O)[O-] D77927 [0,1,0,0,0,0|2,0,0]=3 157 B4R0.1 NCC(=O)[O-] D84274 [0,1,0,0,0,0|2,0,0]=3 158 B4R0.1 NCC(=O)[O-] D95398 [0,1,0,0,0,0|2,0,0]=3 159 B4R0.1 NCC(N)=O 20652 [0,1,0,0,0,0|3,0,0]=4 160 B4R0.1 NCC(N)=O 58529 [0,1,0,0,0,0|3,0,0]=4 161 B4R0.1 NNC(N)=O D95915 [0,1,0,0,0,0|3,0,0]=4 162 B4R0.1 O=C(Cl)CBr D87897 [0,1,0,0,0,0|3,0,0]=4 163 B4R0.1 O=C(Cl)SCl D89346 [0,1,0,0,0,0|2,1,0]=4 164 B4R0.1 O=C(O)CO D78078 [0,1,0,0,0,0|1,0,1]=3 165 B4R0.1 O=CC(=O)O D70821 [0,1,0,0,0,0|1,0,1]=3 166 B4R0.1 O=CC(=O)O F14188 [0,1,0,0,0,0|1,0,1]=3 167 B4R0.1 O=[N+]([O-])CBr 76484 [0,1,0,0,0,0|1,0,0]=2 168 B4R0.1 OCC(F)F FD2062 [0,1,0,0,0,0|3,0,0]=4 169 B4R0.1 ON=C(Br)Br 80656 [0,1,0,0,0,0|3,0,0]=4 170 B4R0.3 CC(C)(C)[O-] D78008 [0,1,0,0,0,0|3,0,0]=4 171 B4R0.3 CC(C)(C)[O-] D78330 [0,1,0,0,0,0|3,0,0]=4 172 B4R0.3 CC(C)(C)[O-] D88327 [0,1,0,0,0,0|3,0,0]=4 173 B4R0.3 CP(=O)(O)O D95909 [0,1,0,0,0,0|0,1,1]=3 174 B4R0.3 CS(=O)(=O)O AT25153 [0,1,0,0,0,0|1,0,1]=3 175 B4R0.3 CS(=O)(=O)[O-] A11504 [0,1,0,0,0,0|1,0,1]=3 176 B4R0.3 CS(=O)(=O)[O-] D82065 [0,1,0,0,0,0|1,0,1]=3 177 B4R0.3 CS(=O)(=O)[O-] E70319 [0,1,0,0,0,0|1,0,1]=3 178 B4R0.3 CS(=O)(=O)[S-] W18874 [0,1,0,0,0,0|1,1,1]=4 179 B4R0.3 CS(C)(=N)=O F31251 [0,1,0,0,0,0|3,0,0]=4 180 B4R0.3 CS(C)(=O)=O D70240 [0,1,0,0,0,0|2,0,1]=4 181 B4R0.3 CS(N)(=O)=O AC7862 [0,1,0,0,0,0|2,0,1]=4 182 B4R0.3 C[N+](C)(C)[O-] D70574 [0,1,0,0,0,0|2,0,1]=4 183 B4R0.3 C[S+](C)(C)=O A11312 [0,1,0,0,0,0|3,0,0]=4 184 B4R0.3 C[S+](C)(C)=O AC7850 [0,1,0,0,0,0|3,0,0]=4 185 B4R0.3 C[S+](C)(C)=O AC8170 [0,1,0,0,0,0|3,0,0]=4 186 B4R0.3 C[Si](C)(C)[O-] 76749 [0,1,0,0,0,0|3,0,0]=4 187 B4R0.3 C[Si](C)(C)[O-] D86377 [0,1,0,0,0,0|3,0,0]=4 188 B4R0.3 NS(=O)(=O)Cl 30747 [0,1,0,0,0,0|2,0,1]=4 189 B4R0.3 NS(=O)(=O)[O-] D95248 [0,1,0,0,0,0|1,0,1]=3 190 B4R0.3 NS(=O)(=O)[O-] H10675 [0,1,0,0,0,0|1,0,1]=3 191 B4R0.3 NS(N)(=O)=O S12311 [0,1,0,0,0,0|2,0,1]=4 192 B4R0.3 O=Cl(=O)(=O)[O-] D97853 [0,1,0,0,0,0|1,0,1]=3 193 B4R0.3 O=P(O)(F)F D94280 [0,1,0,0,0,0|1,1,0]=3 194 B4R0.3 O=P([O-])([O-])[O-] D78130 [0,1,0,0,0,0|0,1,1]=3 195 B4R0.3 O=P([O-])([O-])[O-] D78139 [0,1,0,0,0,0|0,1,1]=3 196 B4R0.3 O=P([O-])([O-])[O-] H12048 [0,1,0,0,0,0|0,1,1]=3 197 B4R0.3 O=S(=O)(O)O D77746 [0,1,0,0,0,0|1,0,1]=3 198 B4R0.3 O=S(=O)(O)O H11038 [0,1,0,0,0,0|1,0,1]=3 199 B4R0.3 O=S(=O)([O-])O D90622 [0,1,0,0,0,0|1,0,0]=2 200 B4R0.3 O=S(=O)([O-])[O-] AC2339 [0,1,0,0,0,0|1,0,1]=3 201 B4R0.3 O=S(=O)([O-])[O-] AC2544 [0,1,0,0,0,0|1,0,1]=3 202 B4R0.3 O=S(=O)([O-])[O-] C13502 [0,1,0,0,0,0|1,0,1]=3 203 B4R0.3 O=S(=O)([O-])[O-] D95954 [0,1,0,0,0,0|1,0,1]=3 204 B4R0.3 O=S(=O)([O-])[O-] D97195 [0,1,0,0,0,0|1,0,1]=3 205 B4R0.3 O=S(=O)([O-])[O-] D97777 [0,1,0,0,0,0|1,0,1]=3 206 B4R0.3 O=S([O-])([O-])=S D78333 [0,1,0,0,0,0|1,0,1]=3 207 B4R0.3 O=[Mo](=O)(O)O D78107 [0,1,0,0,0,0|1,0,1]=3 208 B4R0.3 O=[Mo](=O)([O-])[O-] A11800 [0,1,0,0,0,0|1,0,1]=3 209 B4R0.3 O=[Os](=O)([O-])[O-] C13967 [0,1,0,0,0,0|1,0,1]=3 210 B4R0.3 O=[W](=O)([O-])[O-] H11589 [0,1,0,0,0,0|1,0,1]=3 211 B4R0.3 [O-]P([O-])([O-])=S AB7762 [0,1,0,0,0,0|0,1,2]=4 212 B4R1.2 OC1CC1 87295 [0,0,0,1,0,0|3,0,0]=4 213 B1R0.1 CN N12122 [2,0,0,0,0,0|1,0,1]=4 214 B1R0.1 C[O-] S11669 [2,0,0,0,0,0|1,0,0]=3 215 B1R0.1 NN D78079 [2,0,0,0,0,0|1,0,1]=4 216 B1R0.1 NO D78016 [2,0,0,0,0,0|0,0,1]=3 217 B1R0.1 [C-]#N D78338 [2,0,0,0,0,0|1,0,1]=4 218 B1R0.1 [C-]#[O+] D80405 [2,0,0,0,0,0|1,0,1]=4 219 B1R0.1 [C-]#[O+] D81839 [2,0,0,0,0,0|1,0,1]=4 220 B1R0.1 [C-]#[O+] D90157 [2,0,0,0,0,0|1,0,1]=4 221 B1R0.1 [C-]#[O+] D94507 [2,0,0,0,0,0|1,0,1]=4 222 B1R0.1 [C-]#[O+] D94520 [2,0,0,0,0,0|1,0,1]=4 223 B1R0.1 [C-]#[O+] D94891 [2,0,0,0,0,0|1,0,1]=4 224 B1R0.1 [C-]#[O+] D95847 [2,0,0,0,0,0|1,0,1]=4 225 B1R0.1 [C-]#[O+] D95860 [2,0,0,0,0,0|1,0,1]=4 226 B3R0.1 CCNO 77594 [1,1,0,0,0,0|1,0,1]=4 227 B3R0.1 CCON 35725 [1,1,0,0,0,0|2,0,0]=4 228 B3R0.1 CNOC 60204 [1,1,0,0,0,0|1,0,1]=4 229 B3R0.1 COCBr D78328 [1,1,0,0,0,0|2,0,0]=4 230 B3R0.1 C\C=N\O F13401 [1,1,0,0,0,0|1,0,1]=4 231 B3R0.1 NCCO F17546 [1,1,0,0,0,0|2,0,0]=4 232 B3R0.1 NCCO P20022 [1,1,0,0,0,0|2,0,0]=4 233 B3R0.1 NNC=O F11944 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.1 C#CCC(=O)O F14007 [0,2,0,0,0,0|2,0,0]=4 235 B5R0.1 C=CCC(=O)O H10768 [0,2,0,0,0,0|2,0,0]=4 236 B5R0.1 CC#CC(=O)O 66664 [0,2,0,0,0,0|2,0,0]=4 237 B5R0.1 CC(=O)CCO 55787 [0,2,0,0,0,0|2,0,0]=4 238 B5R0.1 CC(=O)NCO FD10622 [0,2,0,0,0,0|2,0,0]=4 239 B5R0.1 CC(=O)OCBr A12670 [0,2,0,0,0,0|2,0,0]=4 240 B5R0.1 CC(=O)OCCl D78132 [0,2,0,0,0,0|2,0,0]=4 241 B5R0.1 CC(=O)\C=N\O D72887 [0,2,0,0,0,0|2,0,0]=4 242 B5R0.1 CCCC(=O)[O-] D84277 [0,2,0,0,0,0|2,0,0]=4 243 B5R0.1 CCC[N+](=O)[O-] D97683 [0,2,0,0,0,0|1,0,0]=3 244 B5R0.1 CCOC(N)=O F21294 [0,2,0,0,0,0|2,0,0]=4 245 B5R0.1 CNCC(=O)O 73735 [0,2,0,0,0,0|2,0,0]=4 246 B5R0.1 CNCC(=O)O AC7804 [0,2,0,0,0,0|2,0,0]=4 247 B5R0.1 COCC(=O)Cl D78222 [0,2,0,0,0,0|2,0,0]=4 248 B5R0.1 COCC(=O)O D77874 [0,2,0,0,0,0|1,0,1]=4 249 B5R0.1 COCC(C)=O D91400 [0,2,0,0,0,0|2,0,0]=4 250 B5R0.1 COCC(N)=O F20983 [0,2,0,0,0,0|2,0,0]=4 251 B5R0.1 CSCC(=O)O F15988 [0,2,0,0,0,0|1,1,0]=4 252 B5R0.1 C\C=C\C(=O)O RB8002 [0,2,0,0,0,0|2,0,0]=4 253 B5R0.1 N#CCC(=O)O P20002 [0,2,0,0,0,0|2,0,0]=4 254 B5R0.1 N#CCC(=O)[O-] D83681 [0,2,0,0,0,0|2,0,0]=4 255 B5R0.1 NOCC(=O)O H11929 [0,2,0,0,0,0|1,0,1]=4 256 B5R0.1 O=C(Cl)OCCl H11933 [0,2,0,0,0,0|2,0,0]=4 257 B5R0.1 O=C(O)CCBr P17146 [0,2,0,0,0,0|2,0,0]=4 258 B5R0.1 O=C(O)CCF 71324 [0,2,0,0,0,0|2,0,0]=4 259 B5R0.1 O=C(O)CCI D91073 [0,2,0,0,0,0|2,0,0]=4 260 B5R0.1 O=C(O)CCO 77998 [0,2,0,0,0,0|1,0,1]=4 261 B5R0.1 O=C(O)CCS AT21041 [0,2,0,0,0,0|1,1,0]=4 262 B5R0.1 O=C(O)\C=C/Cl H10108 [0,2,0,0,0,0|2,0,0]=4 263 B5R0.1 O=[N+]([O-])CCO AC1643 [0,2,0,0,0,0|0,0,0]=2 264 B5R0.3 C#CC(=O)OC P17723 [0,2,0,0,0,0|2,0,0]=4 265 B5R0.3 CCC(=O)CO C75383 [0,2,0,0,0,0|2,0,0]=4 266 B5R0.3 CNC(=O)OC 29564 [0,2,0,0,0,0|2,0,0]=4 267 B5R0.3 COC(=O)CN 20047 [0,2,0,0,0,0|2,0,0]=4 268 B5R0.3 COC(=O)CO 39413 [0,2,0,0,0,0|1,0,1]=4 269 B5R0.3 COC(=O)NN P17509 [0,2,0,0,0,0|2,0,0]=4 270 B5R0.3 COC(=O)SCl D91417 [0,2,0,0,0,0|1,1,0]=4 271 B5R0.3 CON(C)C=O F11046 [0,2,0,0,0,0|1,0,1]=4 272 B5R0.3 NNC(=O)CO 71926 [0,2,0,0,0,0|2,0,0]=4 273 B5R0.3 O=C(CO)CO S12381 [0,2,0,0,0,0|1,0,1]=4 274 B5R0.4 C=CP(=O)(O)O AC8342 [0,2,0,0,0,0|0,1,1]=4 275 B5R0.4 CCS(=O)(=O)O F20396 [0,2,0,0,0,0|1,0,1]=4 276 B5R0.4 COP(=O)(Cl)Cl D91398 [0,2,0,0,0,0|1,1,0]=4 277 B5R0.4 COS(=O)(=O)[O-] D91331 [0,2,0,0,0,0|1,0,0]=3 278 B5R0.4 COS(C)(=O)=O C10631 [0,2,0,0,0,0|1,0,1]=4 279 B5R0.4 NCP(=O)(O)O 22854 [0,2,0,0,0,0|0,1,1]=4 280 B5R0.4 NOS(=O)(=O)[O-] D77993 [0,2,0,0,0,0|1,0,0]=3 281 B5R0.4 O=S(=O)([O-])CO D90827 [0,2,0,0,0,0|1,0,0]=3 282 B5R0.5 C=C(Br)C(=O)O AB10359 [0,2,0,0,0,0|2,0,0]=4 283 B5R0.5 C=C(C)C(=O)[O-] F16474 [0,2,0,0,0,0|2,0,0]=4 284 B5R0.5 C=C(Cl)C(=O)O D93171 [0,2,0,0,0,0|2,0,0]=4 285 B5R0.5 C=C(F)C(=O)O 29128 [0,2,0,0,0,0|2,0,0]=4 286 B5R0.5 CC(=O)C(=O)[O-] D77796 [0,2,0,0,0,0|1,0,1]=4 287 B5R0.5 CC(=O)C(=O)[O-] D97786 [0,2,0,0,0,0|1,0,1]=4 288 B5R0.5 CC(=O)C(=O)[O-] H10783 [0,2,0,0,0,0|1,0,1]=4 289 B5R0.5 CC(=O)C(=O)[O-] H11289 [0,2,0,0,0,0|1,0,1]=4 290 B5R0.5 CC(C)C(=O)[O-] D91080 [0,2,0,0,0,0|2,0,0]=4 291 B5R0.5 CC(C)[N+](=O)[O-] D95323 [0,2,0,0,0,0|1,0,0]=3 292 B5R0.5 CC(O)C(=O)[O-] F16480 [0,2,0,0,0,0|1,0,0]=3 293 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,2,0,0,0,0|2,0,0]=4 294 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,2,0,0,0,0|2,0,0]=4 295 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,2,0,0,0,0|2,0,0]=4 296 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,2,0,0,0,0|2,0,0]=4 297 B5R0.5 C[C@H](F)C(=O)O N12158 [0,2,0,0,0,0|2,0,0]=4 298 B5R0.5 C[C@H](N)C(=O)O 30773 [0,2,0,0,0,0|2,0,0]=4 299 B5R0.5 C[C@H](N)C(=O)O C75806 [0,2,0,0,0,0|2,0,0]=4 300 B5R0.5 C[C@H](N)C(=O)O D72543 [0,2,0,0,0,0|2,0,0]=4 301 B5R0.5 C[C@H](N)C(=O)O D84362 [0,2,0,0,0,0|2,0,0]=4 302 B5R0.5 C[C@H](O)C(=O)O D71144 [0,2,0,0,0,0|1,0,1]=4 303 B5R0.5 C[C@H](O)C(=O)O F14892 [0,2,0,0,0,0|1,0,1]=4 304 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,2,0,0,0,0|1,0,0]=3 305 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,2,0,0,0,0|1,0,0]=3 306 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,2,0,0,0,0|1,0,0]=3 307 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,2,0,0,0,0|2,0,0]=4 308 B5R0.5 NC(=O)C(=O)O A10798 [0,2,0,0,0,0|1,0,1]=4 309 B5R0.5 NC(=O)C(=O)[O-] 78317 [0,2,0,0,0,0|1,0,1]=4 310 B5R0.5 NC(=O)C(=O)[O-] D91824 [0,2,0,0,0,0|1,0,1]=4 311 B5R0.5 O=C(O)C(=O)O 35743 [0,2,0,0,0,0|1,0,1]=4 312 B5R0.5 O=C(O)C(=O)O C11246 [0,2,0,0,0,0|1,0,1]=4 313 B5R0.5 O=C(O)C(F)F FD2068 [0,2,0,0,0,0|2,0,0]=4 314 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [0,2,0,0,0,0|2,0,0]=4 315 B5R0.5 O=C([O-])C(=O)[O-] 11920 [0,2,0,0,0,0|1,0,1]=4 316 B5R0.5 O=C([O-])C(=O)[O-] C13296 [0,2,0,0,0,0|1,0,1]=4 317 B5R0.5 O=C([O-])C(Cl)Cl F12025 [0,2,0,0,0,0|2,0,0]=4 318 B5R1.2 O=C1CCO1 AT19319 [0,1,0,1,0,0|2,0,0]=4 319 B5R1.2 O=C1COC1 66386 [0,1,0,1,0,0|2,0,0]=4