0 B3R0.1 BrCCBr 050675 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 C#CCBr 167400 [0,0,0,0,0,0|1,0,2]=3 2 B3R0.1 C#CCN 046876 [0,0,0,0,0,0|1,0,2]=3 3 B3R0.1 C#CCN 062949 [0,0,0,0,0,0|1,0,2]=3 4 B3R0.1 C#CCO 167200 [0,0,0,0,0,0|0,1,2]=3 5 B3R0.1 C=CC#N 102466 [0,0,0,0,0,0|1,0,3]=4 6 B3R0.1 C=CCBr BR1119 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.1 C=CCC 098927 [0,0,0,0,0,0|1,0,1]=2 8 B3R0.1 C=CCCl 094723 [0,0,0,0,0,0|1,0,2]=3 9 B3R0.1 C=CCI 001263 [0,0,0,0,0,0|1,0,2]=3 10 B3R0.1 C=CCN 099131 [0,0,0,0,0,0|1,0,2]=3 11 B3R0.1 C=CCO 099676 [0,0,0,0,0,0|0,1,2]=3 12 B3R0.1 C=CCS 099583 [0,0,0,0,0,0|0,0,2]=2 13 B3R0.1 CC#CC 117205 [0,0,0,0,0,0|1,0,2]=3 14 B3R0.1 CCC#N 094907 [0,0,0,0,0,0|1,0,1]=2 15 B3R0.1 CCC=O 094974 [0,0,0,0,0,0|0,1,1]=2 16 B3R0.1 CCCBr BR1117 [0,0,0,0,0,0|1,0,0]=1 17 B3R0.1 CCCI 005438 [0,0,0,0,0,0|1,0,0]=1 18 B3R0.1 CCCN 101445 [0,0,0,0,0,0|1,0,0]=1 19 B3R0.1 CCCO 098913 [0,0,0,0,0,0|0,1,0]=1 20 B3R0.1 CCCO 102042 [0,0,0,0,0,0|0,1,0]=1 21 B3R0.1 CCCS 098010 [0,0,0,0,0,0|0,0,0]=0 22 B3R0.1 CCC[S-] 104640 [0,0,0,0,0,0|0,0,1]=1 23 B3R0.1 CCNC 044624 [0,0,0,0,0,0|2,0,0]=2 24 B3R0.1 CCON 092211 [0,0,0,0,0,0|2,0,0]=2 25 B3R0.1 CNC=O 098971 [0,0,0,0,0,0|1,1,1]=3 26 B3R0.1 CNNC 446438 [0,0,0,0,0,0|3,0,0]=3 27 B3R0.1 CNOC 023913 [0,0,0,0,0,0|3,0,0]=3 28 B3R0.1 COC=O 101914 [0,0,0,0,0,0|1,1,1]=3 29 B3R0.1 COCBr 005432 [0,0,0,0,0,0|2,0,0]=2 30 B3R0.1 CSC#N 002936 [0,0,0,0,0,0|2,0,1]=3 31 B3R0.1 CSCCl 075261 [0,0,0,0,0,0|2,0,0]=2 32 B3R0.1 CSSC 094878 [0,0,0,0,0,0|3,0,0]=3 33 B3R0.1 C\C=C/C 105248 [0,0,0,0,0,0|1,0,2]=3 34 B3R0.1 C\C=C\C 102601 [0,0,0,0,0,0|1,0,2]=3 35 B3R0.1 C\C=N\O 102319 [0,0,0,0,0,0|1,1,1]=3 36 B3R0.1 C\C=N\O 358241 [0,0,0,0,0,0|1,1,1]=3 37 B3R0.1 ClCCBr BR1051 [0,0,0,0,0,0|2,0,0]=2 38 B3R0.1 ClCCCl 043318 [0,0,0,0,0,0|2,0,0]=2 39 B3R0.1 ClCCCl 102594 [0,0,0,0,0,0|2,0,0]=2 40 B3R0.1 ClCCI 001485 [0,0,0,0,0,0|2,0,0]=2 41 B3R0.1 ClSSCl 102690 [0,0,0,0,0,0|4,0,0]=4 42 B3R0.1 Cl[Hg][Hg]Cl 099720 [0,0,0,0,0,0|4,0,0]=4 43 B3R0.1 FCCI 095367 [0,0,0,0,0,0|2,0,0]=2 44 B3R0.1 ICCI 103493 [0,0,0,0,0,0|2,0,0]=2 45 B3R0.1 N#CCBr 001264 [0,0,0,0,0,0|2,0,1]=3 46 B3R0.1 N#CCCl 008863 [0,0,0,0,0,0|2,0,1]=3 47 B3R0.1 N#CCI 001086 [0,0,0,0,0,0|2,0,1]=3 48 B3R0.1 N#CCN 079136 [0,0,0,0,0,0|2,0,1]=3 49 B3R0.1 NCCBr 078524 [0,0,0,0,0,0|2,0,0]=2 50 B3R0.1 NCCCl 119280 [0,0,0,0,0,0|2,0,0]=2 51 B3R0.1 NCCCl 362131 [0,0,0,0,0,0|2,0,0]=2 52 B3R0.1 NCCF 078652 [0,0,0,0,0,0|2,0,0]=2 53 B3R0.1 NCCF 364319 [0,0,0,0,0,0|2,0,0]=2 54 B3R0.1 NCCN 043401 [0,0,0,0,0,0|2,0,0]=2 55 B3R0.1 NCCN 105894 [0,0,0,0,0,0|2,0,0]=2 56 B3R0.1 NCCN 139700 [0,0,0,0,0,0|2,0,0]=2 57 B3R0.1 NCCO 043400 [0,0,0,0,0,0|1,1,0]=2 58 B3R0.1 NCCO 103645 [0,0,0,0,0,0|1,1,0]=2 59 B3R0.1 NCCO 492434 [0,0,0,0,0,0|1,1,0]=2 60 B3R0.1 NCCS 003420 [0,0,0,0,0,0|1,0,0]=1 61 B3R0.1 NNC=O 099623 [0,0,0,0,0,0|2,1,1]=4 62 B3R0.1 O=BOO 094453 [0,0,0,0,0,0|3,1,0]=4 63 B3R0.1 O=CC=O 094007 [0,0,0,0,0,0|1,1,2]=4 64 B3R0.1 O=CCCl 098847 [0,0,0,0,0,0|1,1,1]=3 65 B3R0.1 OCCBr 111300 [0,0,0,0,0,0|1,1,0]=2 66 B3R0.1 OCCCl 094877 [0,0,0,0,0,0|1,1,0]=2 67 B3R0.1 OCCI 001387 [0,0,0,0,0,0|1,1,0]=2 68 B3R0.1 OCCI 102984 [0,0,0,0,0,0|1,1,0]=2 69 B3R0.1 OCCO 044710 [0,0,0,0,0,0|1,1,0]=2 70 B3R0.1 OCCS 003836 [0,0,0,0,0,0|1,0,0]=1 71 B3R0.1 SCCS M03555 [0,0,0,0,0,0|1,0,0]=1 72 B3R0.1 [2H]OCC 101892 [0,0,0,0,0,0|2,0,0]=2 73 B2R0.1 BrCBr 098925 [1,0,0,0,0,0|2,0,0]=3 74 B2R0.1 Br[Cu]Br 102618 [1,0,0,0,0,0|3,0,0]=4 75 B2R0.1 Br[Cu]Br BR1147 [1,0,0,0,0,0|3,0,0]=4 76 B2R0.1 Br[Zn]Br 101974 [1,0,0,0,0,0|3,0,0]=4 77 B2R0.1 Br[Zn]Br 104698 [1,0,0,0,0,0|3,0,0]=4 78 B2R0.1 Br[Zn]Br BR1217 [1,0,0,0,0,0|3,0,0]=4 79 B2R0.1 C=CBr 102637 [1,0,0,0,0,0|1,0,2]=4 80 B2R0.1 C=CBr 102732 [1,0,0,0,0,0|1,0,2]=4 81 B2R0.1 C=CI 001550 [1,0,0,0,0,0|1,0,2]=4 82 B2R0.1 CC#N 035906 [1,0,0,0,0,0|1,0,1]=3 83 B2R0.1 CC#N 046131 [1,0,0,0,0,0|1,0,1]=3 84 B2R0.1 CC#N 099891 [1,0,0,0,0,0|1,0,1]=3 85 B2R0.1 CC#N 102928 [1,0,0,0,0,0|1,0,1]=3 86 B2R0.1 CC#N 105527 [1,0,0,0,0,0|1,0,1]=3 87 B2R0.1 CC#N 995231 [1,0,0,0,0,0|1,0,1]=3 88 B2R0.1 CCBr 099072 [1,0,0,0,0,0|1,0,0]=2 89 B2R0.1 CCI 043865 [1,0,0,0,0,0|1,0,0]=2 90 B2R0.1 CCO 098441 [1,0,0,0,0,0|0,1,0]=2 91 B2R0.1 CCS 094484 [1,0,0,0,0,0|0,0,0]=1 92 B2R0.1 CC[Mg+] 102036 [1,0,0,0,0,0|1,0,0]=2 93 B2R0.1 CC[O-] 098858 [1,0,0,0,0,0|0,1,0]=2 94 B2R0.1 CC[O-] 099616 [1,0,0,0,0,0|0,1,0]=2 95 B2R0.1 CC[O-] 101878 [1,0,0,0,0,0|0,1,0]=2 96 B2R0.1 CC[O-] 103437 [1,0,0,0,0,0|0,1,0]=2 97 B2R0.1 CC[S-] 513565 [1,0,0,0,0,0|0,0,1]=2 98 B2R0.1 CNC 005043 [1,0,0,0,0,0|1,0,0]=2 99 B2R0.1 CNC 043439 [1,0,0,0,0,0|1,0,0]=2 100 B2R0.1 CNC 044754 [1,0,0,0,0,0|1,0,0]=2 101 B2R0.1 CNC 051280 [1,0,0,0,0,0|1,0,0]=2 102 B2R0.1 CNC 094464 [1,0,0,0,0,0|1,0,0]=2 103 B2R0.1 CNC 099111 [1,0,0,0,0,0|1,0,0]=2 104 B2R0.1 CNC 102391 [1,0,0,0,0,0|1,0,0]=2 105 B2R0.1 CNN 098853 [1,0,0,0,0,0|2,0,0]=3 106 B2R0.1 CNO 216314 [1,0,0,0,0,0|1,1,0]=3 107 B2R0.1 COC 106294 [1,0,0,0,0,0|1,0,0]=2 108 B2R0.1 CON 078603 [1,0,0,0,0,0|2,0,0]=3 109 B2R0.1 CON 102867 [1,0,0,0,0,0|2,0,0]=3 110 B2R0.1 CON 103750 [1,0,0,0,0,0|2,0,0]=3 111 B2R0.1 CSC 043438 [1,0,0,0,0,0|1,0,0]=2 112 B2R0.1 CSC 094888 [1,0,0,0,0,0|1,0,0]=2 113 B2R0.1 CSC 097632 [1,0,0,0,0,0|1,0,0]=2 114 B2R0.1 C[Mg]Br 102010 [1,0,0,0,0,0|2,0,0]=3 115 B2R0.1 C[Mg]Cl 051152 [1,0,0,0,0,0|2,0,0]=3 116 B2R0.1 ClCCl 035912 [1,0,0,0,0,0|2,0,0]=3 117 B2R0.1 ClCCl 044694 [1,0,0,0,0,0|2,0,0]=3 118 B2R0.1 ClCCl 099900 [1,0,0,0,0,0|2,0,0]=3 119 B2R0.1 ClCI 067664 [1,0,0,0,0,0|2,0,0]=3 120 B2R0.1 Cl[Ca]Cl 044727 [1,0,0,0,0,0|3,0,0]=4 121 B2R0.1 Cl[Cu]Cl 044794 [1,0,0,0,0,0|3,0,0]=4 122 B2R0.1 Cl[Cu]Cl 075005 [1,0,0,0,0,0|3,0,0]=4 123 B2R0.1 Cl[Cu]Cl 102619 [1,0,0,0,0,0|3,0,0]=4 124 B2R0.1 Cl[Cu]Cl 104736 [1,0,0,0,0,0|3,0,0]=4 125 B2R0.1 Cl[Cu]Cl 105960 [1,0,0,0,0,0|3,0,0]=4 126 B2R0.1 Cl[Mg]Cl 103173 [1,0,0,0,0,0|3,0,0]=4 127 B2R0.1 Cl[Mn]Cl 099609 [1,0,0,0,0,0|3,0,0]=4 128 B2R0.1 Cl[Pd]Cl 035789 [1,0,0,0,0,0|3,0,0]=4 129 B2R0.1 Cl[Pd]Cl 102402 [1,0,0,0,0,0|3,0,0]=4 130 B2R0.1 Cl[Pd]Cl 104925 [1,0,0,0,0,0|3,0,0]=4 131 B2R0.1 Cl[Sn]Cl 102874 [1,0,0,0,0,0|3,0,0]=4 132 B2R0.1 Cl[V]Cl 099607 [1,0,0,0,0,0|3,0,0]=4 133 B2R0.1 Cl[Zn]Cl 044566 [1,0,0,0,0,0|3,0,0]=4 134 B2R0.1 Cl[Zn]Cl 104842 [1,0,0,0,0,0|3,0,0]=4 135 B2R0.1 F[Ag]F 002863 [1,0,0,0,0,0|3,0,0]=4 136 B2R0.1 F[Co]F 004570 [1,0,0,0,0,0|3,0,0]=4 137 B2R0.1 F[Hg]F 002849 [1,0,0,0,0,0|3,0,0]=4 138 B2R0.1 F[Mn]F 003263 [1,0,0,0,0,0|3,0,0]=4 139 B2R0.1 F[SnH2]F 003309 [1,0,0,0,0,0|3,0,0]=4 140 B2R0.1 F[Sr]F 007296 [1,0,0,0,0,0|3,0,0]=4 141 B2R0.1 F[Zn]F 002872 [1,0,0,0,0,0|3,0,0]=4 142 B2R0.1 ICI 043330 [1,0,0,0,0,0|2,0,0]=3 143 B2R0.1 I[Mg]I 099350 [1,0,0,0,0,0|3,0,0]=4 144 B2R0.1 I[Mg]I 099490 [1,0,0,0,0,0|3,0,0]=4 145 B2R0.1 I[Zn]I 095094 [1,0,0,0,0,0|3,0,0]=4 146 B2R0.1 N#CBr 105237 [1,0,0,0,0,0|2,0,1]=4 147 B2R0.1 N#CBr 122400 [1,0,0,0,0,0|2,0,1]=4 148 B2R0.1 N#CN 094456 [1,0,0,0,0,0|2,0,1]=4 149 B2R0.1 N#C[Cu] 102387 [1,0,0,0,0,0|2,0,1]=4 150 B2R0.1 N#C[K] 102070 [1,0,0,0,0,0|2,0,1]=4 151 B2R0.1 N#C[NH-] 245920 [1,0,0,0,0,0|2,0,1]=4 152 B2R0.1 N#C[Na] 102076 [1,0,0,0,0,0|2,0,1]=4 153 B2R0.1 N#C[O-] 005151 [1,0,0,0,0,0|1,1,1]=4 154 B2R0.1 N#C[O-] 098400 [1,0,0,0,0,0|1,1,1]=4 155 B2R0.1 N#C[S-] 021799 [1,0,0,0,0,0|1,0,2]=4 156 B2R0.1 N#C[S-] 099371 [1,0,0,0,0,0|1,0,2]=4 157 B2R0.1 N#C[S-] 101551 [1,0,0,0,0,0|1,0,2]=4 158 B2R0.1 N#C[S-] 104373 [1,0,0,0,0,0|1,0,2]=4 159 B2R0.1 N#[13C][Cu] 102009 [1,0,0,0,0,0|2,0,1]=4 160 B2R0.1 N#[13C][K] 102022 [1,0,0,0,0,0|2,0,1]=4 161 B2R0.1 N=CN 091852 [1,0,0,0,0,0|2,0,1]=4 162 B2R0.1 NC=O 099032 [1,0,0,0,0,0|1,1,1]=4 163 B2R0.1 NC=O 099410 [1,0,0,0,0,0|1,1,1]=4 164 B2R0.1 O=CO 080324 [1,0,0,0,0,0|1,1,1]=4 165 B2R0.1 O=CO 093996 [1,0,0,0,0,0|1,1,1]=4 166 B2R0.1 O=CO 105096 [1,0,0,0,0,0|1,1,1]=4 167 B2R0.1 O=CO 105523 [1,0,0,0,0,0|1,1,1]=4 168 B2R0.1 O=C[O-] 094457 [1,0,0,0,0,0|1,1,1]=4 169 B2R0.1 O=C[O-] 094820 [1,0,0,0,0,0|1,1,1]=4 170 B2R0.1 O=C[O-] 095809 [1,0,0,0,0,0|1,1,1]=4 171 B2R0.1 O=C[O-] 102560 [1,0,0,0,0,0|1,1,1]=4 172 B2R0.1 O=C[O-] 494107 [1,0,0,0,0,0|1,1,1]=4 173 B2R0.1 O=N[O-] 035920 [1,0,0,0,0,0|2,1,0]=4 174 B2R0.1 O=N[O-] 099177 [1,0,0,0,0,0|2,1,0]=4 175 B2R0.1 O=N[O-] 099451 [1,0,0,0,0,0|2,1,0]=4 176 B2R0.1 O=N[O-] 102425 [1,0,0,0,0,0|2,1,0]=4 177 B2R0.1 O=N[O-] 102838 [1,0,0,0,0,0|2,1,0]=4 178 B2R0.1 O=N[O-] 492496 [1,0,0,0,0,0|2,1,0]=4 179 B2R0.1 O=[Cr]=O 098844 [1,0,0,0,0,0|2,1,0]=4 180 B2R0.1 O=[Mn]=O 094454 [1,0,0,0,0,0|2,1,0]=4 181 B2R0.1 O=[Mo]=O 245629 [1,0,0,0,0,0|2,1,0]=4 182 B2R0.1 O=[Ru]=O 051245 [1,0,0,0,0,0|2,1,0]=4 183 B2R0.1 O=[Ru]=O 104837 [1,0,0,0,0,0|2,1,0]=4 184 B2R0.1 O=[Sb-]=O 105583 [1,0,0,0,0,0|2,1,0]=4 185 B2R0.1 O=[Se]=O 097778 [1,0,0,0,0,0|2,1,0]=4 186 B2R0.1 O=[Si]=O 098442 [1,0,0,0,0,0|1,2,0]=4 187 B2R0.1 O=[Si]=O 099075 [1,0,0,0,0,0|1,2,0]=4 188 B2R0.1 O=[Si]=O 099275 [1,0,0,0,0,0|1,2,0]=4 189 B2R0.1 O=[Si]=O 099442 [1,0,0,0,0,0|1,2,0]=4 190 B2R0.1 O=[Si]=O 099546 [1,0,0,0,0,0|1,2,0]=4 191 B2R0.1 O=[Si]=O 099883 [1,0,0,0,0,0|1,2,0]=4 192 B2R0.1 O=[Si]=O 104723 [1,0,0,0,0,0|1,2,0]=4 193 B2R0.1 O=[Si]=O 105677 [1,0,0,0,0,0|1,2,0]=4 194 B2R0.1 O=[Si]=O 105915 [1,0,0,0,0,0|1,2,0]=4 195 B2R0.1 O=[Si]=O S25266 [1,0,0,0,0,0|1,2,0]=4 196 B2R0.1 O=[Ti]=O 098934 [1,0,0,0,0,0|2,1,0]=4 197 B2R0.1 O=[Ti]=O 105936 [1,0,0,0,0,0|2,1,0]=4 198 B2R0.1 O[Ba]O 098840 [1,0,0,0,0,0|2,1,0]=4 199 B2R0.1 O[Pd]O 075132 [1,0,0,0,0,0|2,1,0]=4 200 B2R0.1 S=C=S 098975 [1,0,0,0,0,0|1,0,2]=4 201 B2R0.1 S=C=S 099443 [1,0,0,0,0,0|1,0,2]=4 202 B2R0.1 S=C=S 102714 [1,0,0,0,0,0|1,0,2]=4 203 B2R0.1 [2H]OC 105206 [1,0,0,0,0,0|2,0,0]=3 204 B2R0.1 [2H]O[2H] 044626 [1,0,0,0,0,0|3,0,0]=4 205 B2R0.1 [Ag]O[Ag] 044724 [1,0,0,0,0,0|3,0,0]=4 206 B2R0.1 [BH3-]C#N 044871 [1,0,0,0,0,0|2,0,1]=4 207 B2R0.1 [Cu]O[Cu] 095805 [1,0,0,0,0,0|3,0,0]=4 208 B2R0.1 [N-]=[N+]=[N-] 094448 [1,0,0,0,0,0|3,0,0]=4 209 B2R0.1 [N-]=[N+]=[N-] 102868 [1,0,0,0,0,0|3,0,0]=4 210 B2R0.1 [N-]=[N+]=[N-] 105975 [1,0,0,0,0,0|3,0,0]=4 211 B2R0.1 [Na]S[Na] 050759 [1,0,0,0,0,0|3,0,0]=4 212 B4R0.1 C#CC(C)=O 009078 [0,1,0,0,0,0|1,0,2]=4 213 B4R0.1 C#CC(C)C 155700 [0,1,0,0,0,0|1,0,1]=3 214 B4R0.1 C#CC(C)O 117510 [0,1,0,0,0,0|1,0,1]=3 215 B4R0.1 C#C[C@@H](C)O 093946 [0,1,0,0,0,0|1,0,1]=3 216 B4R0.1 C#C[C@H](C)O 103262 [0,1,0,0,0,0|1,0,1]=3 217 B4R0.1 C=C(C)C=O 533380 [0,1,0,0,0,0|0,1,2]=4 218 B4R0.1 C=C(C)CBr 067665 [0,1,0,0,0,0|1,0,1]=3 219 B4R0.1 C=C(C)CCl 094695 [0,1,0,0,0,0|1,0,1]=3 220 B4R0.1 C=C(C)CO 358232 [0,1,0,0,0,0|0,1,1]=3 221 B4R0.1 C=C(C)CS 038481 [0,1,0,0,0,0|0,0,1]=2 222 B4R0.1 C=C(C)OC 032479 [0,1,0,0,0,0|2,0,1]=4 223 B4R0.1 C=C(Cl)CCl 003399 [0,1,0,0,0,0|1,0,2]=4 224 B4R0.1 C=CC(C)=O 099068 [0,1,0,0,0,0|1,0,2]=4 225 B4R0.1 C=CC(C)Cl 099655 [0,1,0,0,0,0|1,0,1]=3 226 B4R0.1 C=CC(C)O 099331 [0,1,0,0,0,0|1,0,1]=3 227 B4R0.1 CC(=O)C=O 069255 [0,1,0,0,0,0|0,1,2]=4 228 B4R0.1 CC(=O)CCl 099980 [0,1,0,0,0,0|1,0,1]=3 229 B4R0.1 CC(=O)CN 078537 [0,1,0,0,0,0|1,0,1]=3 230 B4R0.1 CC(=O)CO 097598 [0,1,0,0,0,0|0,1,1]=3 231 B4R0.1 CC(=O)NN 049751 [0,1,0,0,0,0|2,0,1]=4 232 B4R0.1 CC(=O)NO 078547 [0,1,0,0,0,0|1,1,1]=4 233 B4R0.1 CC(=O)OO 102863 [0,1,0,0,0,0|1,1,1]=4 234 B4R0.1 CC(=O)O[TlH2] 044421 [0,1,0,0,0,0|2,0,1]=4 235 B4R0.1 CC(Br)C#N 242476 [0,1,0,0,0,0|1,0,1]=3 236 B4R0.1 CC(C)=NO 100400 [0,1,0,0,0,0|1,1,1]=4 237 B4R0.1 CC(C)C#N 095064 [0,1,0,0,0,0|1,0,1]=3 238 B4R0.1 CC(C)C=O 094969 [0,1,0,0,0,0|0,1,1]=3 239 B4R0.1 CC(C)C=O 102748 [0,1,0,0,0,0|0,1,1]=3 240 B4R0.1 CC(C)CBr 097876 [0,1,0,0,0,0|1,0,0]=2 241 B4R0.1 CC(C)CI 005441 [0,1,0,0,0,0|1,0,0]=2 242 B4R0.1 CC(C)CN 094648 [0,1,0,0,0,0|1,0,0]=2 243 B4R0.1 CC(C)CO 098794 [0,1,0,0,0,0|0,1,0]=2 244 B4R0.1 CC(C)CS 097785 [0,1,0,0,0,0|0,0,0]=1 245 B4R0.1 CC(C)NN 023478 [0,1,0,0,0,0|2,0,0]=3 246 B4R0.1 CC(C)NO 049798 [0,1,0,0,0,0|1,1,0]=3 247 B4R0.1 CC(C)ON 049806 [0,1,0,0,0,0|2,0,0]=3 248 B4R0.1 CC(C)[Mg]Br 102695 [0,1,0,0,0,0|2,0,0]=3 249 B4R0.1 CC(C)[Mg]Cl 044829 [0,1,0,0,0,0|2,0,0]=3 250 B4R0.1 CC(C)[Mg]Cl 044854 [0,1,0,0,0,0|2,0,0]=3 251 B4R0.1 CC(Cl)C#N 076018 [0,1,0,0,0,0|1,0,1]=3 252 B4R0.1 CC(Cl)CCl 094620 [0,1,0,0,0,0|1,0,0]=2 253 B4R0.1 CC(N)CN 094789 [0,1,0,0,0,0|1,0,0]=2 254 B4R0.1 CC(N)CO 092185 [0,1,0,0,0,0|0,1,0]=2 255 B4R0.1 CC(O)CBr 001137 [0,1,0,0,0,0|1,0,0]=2 256 B4R0.1 CC(O)CN 099022 [0,1,0,0,0,0|1,0,0]=2 257 B4R0.1 CC(O)CO 492646 [0,1,0,0,0,0|0,1,0]=2 258 B4R0.1 CC=C(C)C 102641 [0,1,0,0,0,0|1,0,2]=4 259 B4R0.1 CCB(O)O 065613 [0,1,0,0,0,0|1,1,0]=3 260 B4R0.1 CCC(=O)Br BR1194 [0,1,0,0,0,0|0,1,1]=3 261 B4R0.1 CCC(=O)Cl 098881 [0,1,0,0,0,0|0,1,1]=3 262 B4R0.1 CCC(=O)O 098214 [0,1,0,0,0,0|0,1,1]=3 263 B4R0.1 CCC(=O)O 104856 [0,1,0,0,0,0|0,1,1]=3 264 B4R0.1 CCC(=O)[O-] 105990 [0,1,0,0,0,0|0,1,1]=3 265 B4R0.1 CCC(=O)[O-] 106505 [0,1,0,0,0,0|0,1,1]=3 266 B4R0.1 CCC(C)=O 046806 [0,1,0,0,0,0|0,1,1]=3 267 B4R0.1 CCC(C)=O 075238 [0,1,0,0,0,0|0,1,1]=3 268 B4R0.1 CCC(C)=O 101973 [0,1,0,0,0,0|0,1,1]=3 269 B4R0.1 CCC(C)=O 102570 [0,1,0,0,0,0|0,1,1]=3 270 B4R0.1 CCC(C)Br 110100 [0,1,0,0,0,0|1,0,0]=2 271 B4R0.1 CCC(C)C 105976 [0,1,0,0,0,0|1,0,0]=2 272 B4R0.1 CCC(C)I 099306 [0,1,0,0,0,0|1,0,0]=2 273 B4R0.1 CCC(C)N 094534 [0,1,0,0,0,0|1,0,0]=2 274 B4R0.1 CCC(C)O 080268 [0,1,0,0,0,0|0,1,0]=2 275 B4R0.1 CCC(C)S 098013 [0,1,0,0,0,0|0,0,0]=1 276 B4R0.1 CCC(N)=O 069325 [0,1,0,0,0,0|0,1,1]=3 277 B4R0.1 CCN(C)C 099918 [0,1,0,0,0,0|2,0,0]=3 278 B4R0.1 CCS(=O)[O-] 035597 [0,1,0,0,0,0|1,1,0]=3 279 B4R0.1 CC[C@H](C)O 036066 [0,1,0,0,0,0|0,1,0]=2 280 B4R0.1 CN(C)C#N 099034 [0,1,0,0,0,0|2,0,1]=4 281 B4R0.1 CN(C)C=O 035911 [0,1,0,0,0,0|1,1,1]=4 282 B4R0.1 CN(C)C=O 046776 [0,1,0,0,0,0|1,1,1]=4 283 B4R0.1 CN(C)C=O 094267 [0,1,0,0,0,0|1,1,1]=4 284 B4R0.1 CN(C)C=O 099894 [0,1,0,0,0,0|1,1,1]=4 285 B4R0.1 CN(C)C=O 106424 [0,1,0,0,0,0|1,1,1]=4 286 B4R0.1 CN(C)C=S 078450 [0,1,0,0,0,0|1,0,2]=4 287 B4R0.1 CNC(=O)Cl 358405 [0,1,0,0,0,0|1,1,1]=4 288 B4R0.1 CNC(C)=O 154700 [0,1,0,0,0,0|1,1,1]=4 289 B4R0.1 CNC(C)C 094496 [0,1,0,0,0,0|2,0,0]=3 290 B4R0.1 CNC(N)=O 227727 [0,1,0,0,0,0|1,1,1]=4 291 B4R0.1 CNC(N)=S 018883 [0,1,0,0,0,0|1,0,2]=4 292 B4R0.1 CNN(C)C 040144 [0,1,0,0,0,0|3,0,0]=4 293 B4R0.1 COC(=N)N 242831 [0,1,0,0,0,0|2,0,1]=4 294 B4R0.1 COC(=N)N 449588 [0,1,0,0,0,0|2,0,1]=4 295 B4R0.1 COC(=O)Cl 099160 [0,1,0,0,0,0|1,1,1]=4 296 B4R0.1 COC(C)=O 098761 [0,1,0,0,0,0|1,1,1]=4 297 B4R0.1 COC(Cl)Cl 239032 [0,1,0,0,0,0|2,0,0]=3 298 B4R0.1 COC(N)=O 080112 [0,1,0,0,0,0|1,1,1]=4 299 B4R0.1 COC(N)=[NH2+] 079024 [0,1,0,0,0,0|2,0,1]=4 300 B4R0.1 CO[SiH](C)C S07285 [0,1,0,0,0,0|2,1,0]=4 301 B4R0.1 CSC(=N)N 221462 [0,1,0,0,0,0|2,0,1]=4 302 B4R0.1 C[C@@H](N)CO M03439 [0,1,0,0,0,0|0,1,0]=2 303 B4R0.1 C[C@@H](O)CN 234011 [0,1,0,0,0,0|1,0,0]=2 304 B4R0.1 C[C@@H](O)CO 166900 [0,1,0,0,0,0|0,1,0]=2 305 B4R0.1 C[C@H](N)CO M03438 [0,1,0,0,0,0|0,1,0]=2 306 B4R0.1 C[C@H](O)CN 079460 [0,1,0,0,0,0|1,0,0]=2 307 B4R0.1 C[C@H](O)CO 049743 [0,1,0,0,0,0|0,1,0]=2 308 B4R0.1 C[N+](C)=CBr 099927 [0,1,0,0,0,0|2,0,1]=4 309 B4R0.1 C[N+](C)=CCl 046921 [0,1,0,0,0,0|2,0,1]=4 310 B4R0.1 C[SH](C)BCl 102603 [0,1,0,0,0,0|3,0,0]=4 311 B4R0.1 C[SH](C)[Au]Cl 101972 [0,1,0,0,0,0|3,0,0]=4 312 B4R0.1 C\C(N)=N\O 075417 [0,1,0,0,0,0|1,1,1]=4 313 B4R0.1 ClCC(Cl)Cl 520890 [0,1,0,0,0,0|2,0,0]=3 314 B4R0.1 FC(F)CI 034707 [0,1,0,0,0,0|2,0,0]=3 315 B4R0.1 N#CC(F)Cl 038385 [0,1,0,0,0,0|2,0,1]=4 316 B4R0.1 N#CC(F)F 033533 [0,1,0,0,0,0|2,0,1]=4 317 B4R0.1 N=C(N)CCl 018354 [0,1,0,0,0,0|2,0,1]=4 318 B4R0.1 NC(=O)CBr 091505 [0,1,0,0,0,0|1,1,1]=4 319 B4R0.1 NC(=O)CCl 079297 [0,1,0,0,0,0|1,1,1]=4 320 B4R0.1 NC(=O)CI 001085 [0,1,0,0,0,0|1,1,1]=4 321 B4R0.1 NC(=O)CS 069297 [0,1,0,0,0,0|1,0,1]=3 322 B4R0.1 NCC(=O)O 105741 [0,1,0,0,0,0|1,1,1]=4 323 B4R0.1 NCC(=O)O 229198 [0,1,0,0,0,0|1,1,1]=4 324 B4R0.1 NCC(=O)O M03001 [0,1,0,0,0,0|1,1,1]=4 325 B4R0.1 NCC(=O)[O-] 240909 [0,1,0,0,0,0|1,1,1]=4 326 B4R0.1 NCC(F)F 010670 [0,1,0,0,0,0|2,0,0]=3 327 B4R0.1 NCC(N)=O 078516 [0,1,0,0,0,0|1,1,1]=4 328 B4R0.1 O=C(Br)CBr 004136 [0,1,0,0,0,0|1,1,1]=4 329 B4R0.1 O=C(Cl)CBr 109400 [0,1,0,0,0,0|1,1,1]=4 330 B4R0.1 O=C(Cl)CCl 098899 [0,1,0,0,0,0|1,1,1]=4 331 B4R0.1 O=C(Cl)CCl 099381 [0,1,0,0,0,0|1,1,1]=4 332 B4R0.1 O=C(O)CBr 004135 [0,1,0,0,0,0|1,1,1]=4 333 B4R0.1 O=C(O)CCl 095375 [0,1,0,0,0,0|1,1,1]=4 334 B4R0.1 O=C(O)CI 520348 [0,1,0,0,0,0|1,1,1]=4 335 B4R0.1 O=C(O)CO 058235 [0,1,0,0,0,0|1,1,1]=4 336 B4R0.1 O=C(O)CO 103022 [0,1,0,0,0,0|1,1,1]=4 337 B4R0.1 O=C(O)CS 097732 [0,1,0,0,0,0|1,0,1]=3 338 B4R0.1 O=C([O-])CCl 099322 [0,1,0,0,0,0|1,1,1]=4 339 B4R0.1 O=C([O-])CO 195404 [0,1,0,0,0,0|1,1,1]=4 340 B4R0.1 O=C([O-])CS 106508 [0,1,0,0,0,0|1,0,1]=3 341 B4R0.1 O=S([O-])CO 450343 [0,1,0,0,0,0|2,1,0]=4 342 B4R0.1 O=[N+]([O-])CBr 002518 [0,1,0,0,0,0|2,1,0]=4 343 B4R0.1 OCC(F)F 001565 [0,1,0,0,0,0|1,1,0]=3 344 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [0,1,0,0,0,0|1,1,1]=4 345 B4R0.2 BrCCCBr 003830 [0,1,0,0,0,0|1,0,0]=2 346 B4R0.2 C#CCCBr 093952 [0,1,0,0,0,0|1,0,1]=3 347 B4R0.2 C#CCCC 164100 [0,1,0,0,0,0|1,0,0]=2 348 B4R0.2 C#CCCN 235851 [0,1,0,0,0,0|1,0,1]=3 349 B4R0.2 C#CCCO 009077 [0,1,0,0,0,0|0,1,1]=3 350 B4R0.2 C#CCOC 044755 [0,1,0,0,0,0|1,0,1]=3 351 B4R0.2 C#COCC 050428 [0,1,0,0,0,0|1,0,1]=3 352 B4R0.2 C=CCC#N 355220 [0,1,0,0,0,0|1,0,2]=4 353 B4R0.2 C=CCCBr 010654 [0,1,0,0,0,0|1,0,1]=3 354 B4R0.2 C=CCCCl 106339 [0,1,0,0,0,0|1,0,1]=3 355 B4R0.2 C=CCCI 103032 [0,1,0,0,0,0|1,0,1]=3 356 B4R0.2 C=CCCO 114900 [0,1,0,0,0,0|0,1,1]=3 357 B4R0.2 C=CCNC 069326 [0,1,0,0,0,0|1,0,1]=3 358 B4R0.2 C=CCON 471484 [0,1,0,0,0,0|0,1,2]=4 359 B4R0.2 C=CCSC 106338 [0,1,0,0,0,0|0,0,2]=3 360 B4R0.2 C=CC[Pd]Cl 046130 [0,1,0,0,0,0|1,0,2]=4 361 B4R0.2 CC#CCBr 009057 [0,1,0,0,0,0|1,0,1]=3 362 B4R0.2 CC#CCO 009076 [0,1,0,0,0,0|0,1,1]=3 363 B4R0.2 CCCC#N 046731 [0,1,0,0,0,0|1,0,0]=2 364 B4R0.2 CCCC=O 094987 [0,1,0,0,0,0|0,1,0]=2 365 B4R0.2 CCCCBr 098944 [0,1,0,0,0,0|1,0,0]=2 366 B4R0.2 CCCCC 995196 [0,1,0,0,0,0|1,0,0]=2 367 B4R0.2 CCCCI 094442 [0,1,0,0,0,0|1,0,0]=2 368 B4R0.2 CCCCN 094792 [0,1,0,0,0,0|1,0,0]=2 369 B4R0.2 CCCCO 035921 [0,1,0,0,0,0|0,1,0]=2 370 B4R0.2 CCCCO 075156 [0,1,0,0,0,0|0,1,0]=2 371 B4R0.2 CCCCO 101601 [0,1,0,0,0,0|0,1,0]=2 372 B4R0.2 CCCCS 046727 [0,1,0,0,0,0|0,0,0]=1 373 B4R0.2 CCCC[Mg+] 102041 [0,1,0,0,0,0|1,0,0]=2 374 B4R0.2 CCCC[S-] 104802 [0,1,0,0,0,0|0,0,1]=2 375 B4R0.2 CCCNC 056258 [0,1,0,0,0,0|1,0,0]=2 376 B4R0.2 CCN=C=S 053245 [0,1,0,0,0,0|0,0,2]=3 377 B4R0.2 CCNC=O 099258 [0,1,0,0,0,0|0,1,1]=3 378 B4R0.2 CCNCC 043314 [0,1,0,0,0,0|1,0,0]=2 379 B4R0.2 CCNCC 129100 [0,1,0,0,0,0|1,0,0]=2 380 B4R0.2 CCOC=N 099169 [0,1,0,0,0,0|1,0,1]=3 381 B4R0.2 CCOC=O 044728 [0,1,0,0,0,0|0,1,1]=3 382 B4R0.2 CCOCC 075236 [0,1,0,0,0,0|1,0,0]=2 383 B4R0.2 CCOCC 099494 [0,1,0,0,0,0|1,0,0]=2 384 B4R0.2 CCOCC 101608 [0,1,0,0,0,0|1,0,0]=2 385 B4R0.2 CCOCC 105564 [0,1,0,0,0,0|1,0,0]=2 386 B4R0.2 CCOCCl 005431 [0,1,0,0,0,0|1,0,0]=2 387 B4R0.2 CC[SiH2]CC S06500 [0,1,0,0,0,0|1,0,0]=2 388 B4R0.2 CC[Zn]CC 098867 [0,1,0,0,0,0|1,0,0]=2 389 B4R0.2 CC[Zn]CC 098978 [0,1,0,0,0,0|1,0,0]=2 390 B4R0.2 CNCC#N 078723 [0,1,0,0,0,0|1,0,1]=3 391 B4R0.2 CNCC#N 238940 [0,1,0,0,0,0|1,0,1]=3 392 B4R0.2 CNCCN 094592 [0,1,0,0,0,0|1,0,0]=2 393 B4R0.2 CNCCO 095022 [0,1,0,0,0,0|0,1,0]=2 394 B4R0.2 COCC#N 002451 [0,1,0,0,0,0|1,0,1]=3 395 B4R0.2 COCCBr 005433 [0,1,0,0,0,0|1,0,0]=2 396 B4R0.2 COCCN 046846 [0,1,0,0,0,0|1,0,0]=2 397 B4R0.2 COCCO 043320 [0,1,0,0,0,0|0,1,0]=2 398 B4R0.2 COCCO 102150 [0,1,0,0,0,0|0,1,0]=2 399 B4R0.2 COCOC 094560 [0,1,0,0,0,0|1,1,0]=3 400 B4R0.2 CSCCCl 044921 [0,1,0,0,0,0|1,0,0]=2 401 B4R0.2 CSCCO 003087 [0,1,0,0,0,0|0,1,0]=2 402 B4R0.2 C\C=C\C#N 099018 [0,1,0,0,0,0|1,0,2]=4 403 B4R0.2 C\C=C\C=O 245633 [0,1,0,0,0,0|0,1,2]=4 404 B4R0.2 C\C=C\CBr 103776 [0,1,0,0,0,0|1,0,1]=3 405 B4R0.2 C\C=C\CO 103771 [0,1,0,0,0,0|0,1,1]=3 406 B4R0.2 ClCCCBr 094507 [0,1,0,0,0,0|1,0,0]=2 407 B4R0.2 ClCCCCl 101461 [0,1,0,0,0,0|1,0,0]=2 408 B4R0.2 ClCCCI 001486 [0,1,0,0,0,0|1,0,0]=2 409 B4R0.2 ClCSCCl 108200 [0,1,0,0,0,0|2,0,0]=3 410 B4R0.2 Cl\C=C\CCl 358262 [0,1,0,0,0,0|1,0,2]=4 411 B4R0.2 FCCCI 095368 [0,1,0,0,0,0|1,0,0]=2 412 B4R0.2 ICCCI 003098 [0,1,0,0,0,0|1,0,0]=2 413 B4R0.2 N#CCC#N 075146 [0,1,0,0,0,0|1,0,2]=4 414 B4R0.2 N#CCCBr 227728 [0,1,0,0,0,0|1,0,1]=3 415 B4R0.2 N#CCCCl 076020 [0,1,0,0,0,0|1,0,1]=3 416 B4R0.2 N#CCCI 101901 [0,1,0,0,0,0|1,0,1]=3 417 B4R0.2 N#CCCN 105100 [0,1,0,0,0,0|1,0,1]=3 418 B4R0.2 N#CCCO 005000 [0,1,0,0,0,0|0,1,1]=3 419 B4R0.2 NCCCBr 079493 [0,1,0,0,0,0|1,0,0]=2 420 B4R0.2 NCCCCl 095817 [0,1,0,0,0,0|1,0,0]=2 421 B4R0.2 NCCCN 094590 [0,1,0,0,0,0|1,0,0]=2 422 B4R0.2 NCCCO 099680 [0,1,0,0,0,0|0,1,0]=2 423 B4R0.2 NNCCO 069293 [0,1,0,0,0,0|1,1,0]=3 424 B4R0.2 OCCCBr 047460 [0,1,0,0,0,0|0,1,0]=2 425 B4R0.2 OCCCCl 024840 [0,1,0,0,0,0|0,1,0]=2 426 B4R0.2 OCCCF 010306 [0,1,0,0,0,0|0,1,0]=2 427 B4R0.2 OCCCI 002583 [0,1,0,0,0,0|0,1,0]=2 428 B4R0.2 OCCCO 095066 [0,1,0,0,0,0|0,1,0]=2 429 B4R0.2 SCCCCl 099136 [0,1,0,0,0,0|0,0,0]=1 430 B4R0.2 SCCCS 101936 [0,1,0,0,0,0|0,0,0]=1 431 B4R0.2 [Li]CCCC 044819 [0,1,0,0,0,0|1,0,0]=2 432 B4R1.1 C1CNC1 036832 [0,0,0,1,0,0|1,0,0]=2 433 B4R1.2 BrC1CC1 003373 [0,0,0,1,0,0|1,0,0]=2 434 B4R1.2 CC1CN1 099002 [0,0,0,1,0,0|1,0,0]=2 435 B4R1.2 CC1CO1 099315 [0,0,0,1,0,0|0,1,0]=2 436 B4R1.2 C[C@@H]1CO1 044883 [0,0,0,1,0,0|0,1,0]=2 437 B4R1.2 C[C@H]1CO1 216312 [0,0,0,1,0,0|0,1,0]=2 438 B4R1.2 NC1CC1 003712 [0,0,0,1,0,0|1,0,0]=2 439 B1R0.1 BrBr BR1014 [2,0,0,0,0,0|2,0,0]=4 440 B1R0.1 C=O 098760 [2,0,0,0,0,0|0,1,1]=4 441 B1R0.1 C=O 106941 [2,0,0,0,0,0|0,1,1]=4 442 B1R0.1 CI 001363 [2,0,0,0,0,0|1,0,0]=3 443 B1R0.1 CI 105850 [2,0,0,0,0,0|1,0,0]=3 444 B1R0.1 CO 035910 [2,0,0,0,0,0|0,1,0]=3 445 B1R0.1 CO 046842 [2,0,0,0,0,0|0,1,0]=3 446 B1R0.1 CO 099785 [2,0,0,0,0,0|0,1,0]=3 447 B1R0.1 CO 102160 [2,0,0,0,0,0|0,1,0]=3 448 B1R0.1 CO 103139 [2,0,0,0,0,0|0,1,0]=3 449 B1R0.1 CO 105528 [2,0,0,0,0,0|0,1,0]=3 450 B1R0.1 CO 107038 [2,0,0,0,0,0|0,1,0]=3 451 B1R0.1 CO 107039 [2,0,0,0,0,0|0,1,0]=3 452 B1R0.1 C[O-] 044714 [2,0,0,0,0,0|0,1,0]=3 453 B1R0.1 C[O-] 076023 [2,0,0,0,0,0|0,1,0]=3 454 B1R0.1 C[O-] 102696 [2,0,0,0,0,0|0,1,0]=3 455 B1R0.1 C[O-] 106385 [2,0,0,0,0,0|0,1,0]=3 456 B1R0.1 C[O-] 106868 [2,0,0,0,0,0|0,1,0]=3 457 B1R0.1 C[S-] 098903 [2,0,0,0,0,0|0,0,1]=3 458 B1R0.1 C[S-] 101528 [2,0,0,0,0,0|0,0,1]=3 459 B1R0.1 Cl[Cs] 103515 [2,0,0,0,0,0|2,0,0]=4 460 B1R0.1 Cl[Cu] 099301 [2,0,0,0,0,0|2,0,0]=4 461 B1R0.1 Cl[Cu] 105901 [2,0,0,0,0,0|2,0,0]=4 462 B1R0.1 F[Ag] 002862 [2,0,0,0,0,0|2,0,0]=4 463 B1R0.1 F[Cs] 001648 [2,0,0,0,0,0|2,0,0]=4 464 B1R0.1 F[Cs] 103908 [2,0,0,0,0,0|2,0,0]=4 465 B1R0.1 F[K] 003835 [2,0,0,0,0,0|2,0,0]=4 466 B1R0.1 F[Na] 007273 [2,0,0,0,0,0|2,0,0]=4 467 B1R0.1 NN 044928 [2,0,0,0,0,0|2,0,0]=4 468 B1R0.1 NN 094665 [2,0,0,0,0,0|2,0,0]=4 469 B1R0.1 NN 099362 [2,0,0,0,0,0|2,0,0]=4 470 B1R0.1 NN 102673 [2,0,0,0,0,0|2,0,0]=4 471 B1R0.1 NN 104962 [2,0,0,0,0,0|2,0,0]=4 472 B1R0.1 NN 105635 [2,0,0,0,0,0|2,0,0]=4 473 B1R0.1 NN 227701 [2,0,0,0,0,0|2,0,0]=4 474 B1R0.1 NN 464435 [2,0,0,0,0,0|2,0,0]=4 475 B1R0.1 NO 044867 [2,0,0,0,0,0|1,1,0]=4 476 B1R0.1 NO 069272 [2,0,0,0,0,0|1,1,0]=4 477 B1R0.1 NO 099754 [2,0,0,0,0,0|1,1,0]=4 478 B1R0.1 O=[Ba] 103573 [2,0,0,0,0,0|1,1,0]=4 479 B1R0.1 O=[Ca] 098952 [2,0,0,0,0,0|1,1,0]=4 480 B1R0.1 O=[Ca] 105097 [2,0,0,0,0,0|1,1,0]=4 481 B1R0.1 O=[Hf] 099766 [2,0,0,0,0,0|1,1,0]=4 482 B1R0.1 O=[Hg] 493810 [2,0,0,0,0,0|1,1,0]=4 483 B1R0.1 O=[Hg] 493848 [2,0,0,0,0,0|1,1,0]=4 484 B1R0.1 O=[Mg] 101496 [2,0,0,0,0,0|1,1,0]=4 485 B1R0.1 O=[Mg] 104205 [2,0,0,0,0,0|1,1,0]=4 486 B1R0.1 O=[Zn] 098358 [2,0,0,0,0,0|1,1,0]=4 487 B1R0.1 OO 044711 [2,0,0,0,0,0|1,1,0]=4 488 B1R0.1 OO 102444 [2,0,0,0,0,0|1,1,0]=4 489 B1R0.1 OO 105038 [2,0,0,0,0,0|1,1,0]=4 490 B1R0.1 [2H]Cl 104377 [2,0,0,0,0,0|2,0,0]=4 491 B1R0.1 [2H][O-] 103656 [2,0,0,0,0,0|1,1,0]=4 492 B1R0.1 [2H][O-] 104465 [2,0,0,0,0,0|1,1,0]=4 493 B1R0.1 [C-]#N 044709 [2,0,0,0,0,0|1,0,1]=4 494 B1R0.1 [C-]#N 094403 [2,0,0,0,0,0|1,0,1]=4 495 B1R0.1 [C-]#N 099510 [2,0,0,0,0,0|1,0,1]=4 496 B1R0.1 [C-]#N 101893 [2,0,0,0,0,0|1,0,1]=4 497 B1R0.1 [C-]#N 102136 [2,0,0,0,0,0|1,0,1]=4 498 B1R0.1 [C-]#N 102974 [2,0,0,0,0,0|1,0,1]=4 499 B1R0.1 [C-]#N 103556 [2,0,0,0,0,0|1,0,1]=4 500 B1R0.1 [C-]#[C-] 099600 [2,0,0,0,0,0|0,0,2]=4 501 B1R0.1 [C-]#[C-] 104831 [2,0,0,0,0,0|0,0,2]=4 502 B1R0.1 [C-]#[O+] 050113 [2,0,0,0,0,0|0,1,1]=4 503 B1R0.1 [C-]#[O+] 050114 [2,0,0,0,0,0|0,1,1]=4 504 B1R0.1 [Cu]Br 044716 [2,0,0,0,0,0|2,0,0]=4 505 B1R0.1 [Cu]Br 102617 [2,0,0,0,0,0|2,0,0]=4 506 B1R0.1 [Cu]I 044771 [2,0,0,0,0,0|2,0,0]=4 507 B1R0.1 [Cu]I 102597 [2,0,0,0,0,0|2,0,0]=4 508 B1R0.1 [Cu]I 103768 [2,0,0,0,0,0|2,0,0]=4 509 B1R0.1 [Cu][Zn] 001790 [2,0,0,0,0,0|2,0,0]=4 510 B1R0.1 [Li]Br 009859 [2,0,0,0,0,0|2,0,0]=4 511 B1R0.1 [Na]I 009863 [2,0,0,0,0,0|2,0,0]=4 512 B1R0.1 [O-]Cl 101471 [2,0,0,0,0,0|1,1,0]=4 513 B1R0.1 [O-]Cl 103589 [2,0,0,0,0,0|1,1,0]=4 514 B1R0.1 [O-][O-] 101466 [2,0,0,0,0,0|1,1,0]=4 515 B1R0.1 [O-][O-] 102858 [2,0,0,0,0,0|1,1,0]=4 516 B3R0.2 BrC(Br)Br 050494 [1,1,0,0,0,0|2,0,0]=4 517 B3R0.2 BrC(Br)Br 099552 [1,1,0,0,0,0|2,0,0]=4 518 B3R0.2 C(C)(F)F 004814 [1,1,0,0,0,0|1,0,0]=3 519 B3R0.2 C(Cl)(Cl)Cl 035917 [1,1,0,0,0,0|2,0,0]=4 520 B3R0.2 C=C(C)Br 098357 [1,1,0,0,0,0|0,0,2]=4 521 B3R0.2 C=C(C)C 102139 [1,1,0,0,0,0|0,0,1]=3 522 B3R0.2 C=[N+](C)C 051246 [1,1,0,0,0,0|1,0,0]=3 523 B3R0.2 CB(O)O 214665 [1,1,0,0,0,0|1,1,0]=4 524 B3R0.2 CC(=N)N 021800 [1,1,0,0,0,0|1,0,1]=4 525 B3R0.2 CC(=O)Br 003920 [1,1,0,0,0,0|0,1,1]=4 526 B3R0.2 CC(=O)Cl 094104 [1,1,0,0,0,0|0,1,1]=4 527 B3R0.2 CC(=O)O 035907 [1,1,0,0,0,0|0,1,1]=4 528 B3R0.2 CC(=O)O 043868 [1,1,0,0,0,0|0,1,1]=4 529 B3R0.2 CC(=O)O 044721 [1,1,0,0,0,0|0,1,1]=4 530 B3R0.2 CC(=O)O 101598 [1,1,0,0,0,0|0,1,1]=4 531 B3R0.2 CC(=O)O 104750 [1,1,0,0,0,0|0,1,1]=4 532 B3R0.2 CC(=O)O 106044 [1,1,0,0,0,0|0,1,1]=4 533 B3R0.2 CC(=O)O 106057 [1,1,0,0,0,0|0,1,1]=4 534 B3R0.2 CC(=O)O 106058 [1,1,0,0,0,0|0,1,1]=4 535 B3R0.2 CC(=O)O 106164 [1,1,0,0,0,0|0,1,1]=4 536 B3R0.2 CC(=O)S 094692 [1,1,0,0,0,0|0,0,1]=3 537 B3R0.2 CC(=O)[O-] 044838 [1,1,0,0,0,0|0,1,1]=4 538 B3R0.2 CC(=O)[O-] 050331 [1,1,0,0,0,0|0,1,1]=4 539 B3R0.2 CC(=O)[O-] 095373 [1,1,0,0,0,0|0,1,1]=4 540 B3R0.2 CC(=O)[O-] 095810 [1,1,0,0,0,0|0,1,1]=4 541 B3R0.2 CC(=O)[O-] 095811 [1,1,0,0,0,0|0,1,1]=4 542 B3R0.2 CC(=O)[O-] 095813 [1,1,0,0,0,0|0,1,1]=4 543 B3R0.2 CC(=O)[O-] 098592 [1,1,0,0,0,0|0,1,1]=4 544 B3R0.2 CC(=O)[O-] 098906 [1,1,0,0,0,0|0,1,1]=4 545 B3R0.2 CC(=O)[O-] 098951 [1,1,0,0,0,0|0,1,1]=4 546 B3R0.2 CC(=O)[O-] 099265 [1,1,0,0,0,0|0,1,1]=4 547 B3R0.2 CC(=O)[O-] 099279 [1,1,0,0,0,0|0,1,1]=4 548 B3R0.2 CC(=O)[O-] 099299 [1,1,0,0,0,0|0,1,1]=4 549 B3R0.2 CC(=O)[O-] 099359 [1,1,0,0,0,0|0,1,1]=4 550 B3R0.2 CC(=O)[O-] 099374 [1,1,0,0,0,0|0,1,1]=4 551 B3R0.2 CC(=O)[O-] 099561 [1,1,0,0,0,0|0,1,1]=4 552 B3R0.2 CC(=O)[O-] 099735 [1,1,0,0,0,0|0,1,1]=4 553 B3R0.2 CC(=O)[O-] 101990 [1,1,0,0,0,0|0,1,1]=4 554 B3R0.2 CC(=O)[O-] 102370 [1,1,0,0,0,0|0,1,1]=4 555 B3R0.2 CC(=O)[O-] 102576 [1,1,0,0,0,0|0,1,1]=4 556 B3R0.2 CC(=O)[O-] 102577 [1,1,0,0,0,0|0,1,1]=4 557 B3R0.2 CC(=O)[O-] 102751 [1,1,0,0,0,0|0,1,1]=4 558 B3R0.2 CC(=O)[O-] 102954 [1,1,0,0,0,0|0,1,1]=4 559 B3R0.2 CC(=O)[O-] 103004 [1,1,0,0,0,0|0,1,1]=4 560 B3R0.2 CC(=O)[O-] 103454 [1,1,0,0,0,0|0,1,1]=4 561 B3R0.2 CC(=O)[O-] 103547 [1,1,0,0,0,0|0,1,1]=4 562 B3R0.2 CC(=O)[O-] 103666 [1,1,0,0,0,0|0,1,1]=4 563 B3R0.2 CC(=O)[O-] 104120 [1,1,0,0,0,0|0,1,1]=4 564 B3R0.2 CC(=O)[O-] 104124 [1,1,0,0,0,0|0,1,1]=4 565 B3R0.2 CC(=O)[O-] 104255 [1,1,0,0,0,0|0,1,1]=4 566 B3R0.2 CC(=O)[O-] 104267 [1,1,0,0,0,0|0,1,1]=4 567 B3R0.2 CC(=O)[O-] 104268 [1,1,0,0,0,0|0,1,1]=4 568 B3R0.2 CC(=O)[O-] 104731 [1,1,0,0,0,0|0,1,1]=4 569 B3R0.2 CC(=O)[O-] 104732 [1,1,0,0,0,0|0,1,1]=4 570 B3R0.2 CC(=O)[O-] 104830 [1,1,0,0,0,0|0,1,1]=4 571 B3R0.2 CC(=O)[O-] 104834 [1,1,0,0,0,0|0,1,1]=4 572 B3R0.2 CC(=O)[O-] 106015 [1,1,0,0,0,0|0,1,1]=4 573 B3R0.2 CC(=O)[O-] 106936 [1,1,0,0,0,0|0,1,1]=4 574 B3R0.2 CC(=O)[O-] 449646 [1,1,0,0,0,0|0,1,1]=4 575 B3R0.2 CC(=O)[O-] 492414 [1,1,0,0,0,0|0,1,1]=4 576 B3R0.2 CC(=O)[O-] 492458 [1,1,0,0,0,0|0,1,1]=4 577 B3R0.2 CC(=O)[O-] 492460 [1,1,0,0,0,0|0,1,1]=4 578 B3R0.2 CC(=O)[O-] 493837 [1,1,0,0,0,0|0,1,1]=4 579 B3R0.2 CC(=O)[O-] 493847 [1,1,0,0,0,0|0,1,1]=4 580 B3R0.2 CC(=O)[O-] 494093 [1,1,0,0,0,0|0,1,1]=4 581 B3R0.2 CC(=O)[O-] 494137 [1,1,0,0,0,0|0,1,1]=4 582 B3R0.2 CC(=O)[O-] 494138 [1,1,0,0,0,0|0,1,1]=4 583 B3R0.2 CC(=O)[O-] 494390 [1,1,0,0,0,0|0,1,1]=4 584 B3R0.2 CC(=O)[S-] 050515 [1,1,0,0,0,0|0,0,2]=4 585 B3R0.2 CC(C)=O 035905 [1,1,0,0,0,0|0,0,1]=3 586 B3R0.2 CC(C)=O 050332 [1,1,0,0,0,0|0,0,1]=3 587 B3R0.2 CC(C)=O 099892 [1,1,0,0,0,0|0,0,1]=3 588 B3R0.2 CC(C)=O 102148 [1,1,0,0,0,0|0,0,1]=3 589 B3R0.2 CC(C)=O 102613 [1,1,0,0,0,0|0,0,1]=3 590 B3R0.2 CC(C)=O 103138 [1,1,0,0,0,0|0,0,1]=3 591 B3R0.2 CC(C)Br BR1118 [1,1,0,0,0,0|0,0,0]=2 592 B3R0.2 CC(C)Cl 438389 [1,1,0,0,0,0|0,0,0]=2 593 B3R0.2 CC(C)I 094561 [1,1,0,0,0,0|0,0,0]=2 594 B3R0.2 CC(C)N 046833 [1,1,0,0,0,0|0,0,0]=2 595 B3R0.2 CC(C)N 094589 [1,1,0,0,0,0|0,0,0]=2 596 B3R0.2 CC(C)N 102424 [1,1,0,0,0,0|0,0,0]=2 597 B3R0.2 CC(C)O 035913 [1,1,0,0,0,0|0,0,0]=2 598 B3R0.2 CC(C)O 098379 [1,1,0,0,0,0|0,0,0]=2 599 B3R0.2 CC(C)O 102166 [1,1,0,0,0,0|0,0,0]=2 600 B3R0.2 CC(C)O 102226 [1,1,0,0,0,0|0,0,0]=2 601 B3R0.2 CC(C)O 105811 [1,1,0,0,0,0|0,0,0]=2 602 B3R0.2 CC(C)S 098993 [1,1,0,0,0,0|0,0,0]=2 603 B3R0.2 CC(C)[O-] 098874 [1,1,0,0,0,0|0,0,0]=2 604 B3R0.2 CC(C)[O-] 099441 [1,1,0,0,0,0|0,0,0]=2 605 B3R0.2 CC(C)[S-] 103566 [1,1,0,0,0,0|0,0,0]=2 606 B3R0.2 CC(Cl)Cl 047063 [1,1,0,0,0,0|1,0,0]=3 607 B3R0.2 CC(N)=O 044859 [1,1,0,0,0,0|0,1,1]=4 608 B3R0.2 CC(N)=S 012744 [1,1,0,0,0,0|0,0,2]=4 609 B3R0.2 CC(N)=S 099460 [1,1,0,0,0,0|0,0,2]=4 610 B3R0.2 CN(C)C 094483 [1,1,0,0,0,0|1,0,0]=3 611 B3R0.2 CN(C)C 099336 [1,1,0,0,0,0|1,0,0]=3 612 B3R0.2 CN(C)C 101873 [1,1,0,0,0,0|1,0,0]=3 613 B3R0.2 CN(C)C 102008 [1,1,0,0,0,0|1,0,0]=3 614 B3R0.2 CN(C)C 102395 [1,1,0,0,0,0|1,0,0]=3 615 B3R0.2 CN(C)C 102396 [1,1,0,0,0,0|1,0,0]=3 616 B3R0.2 CN(C)C 358045 [1,1,0,0,0,0|1,0,0]=3 617 B3R0.2 CN(C)N 245913 [1,1,0,0,0,0|1,0,0]=3 618 B3R0.2 CN(C)O 104141 [1,1,0,0,0,0|1,0,0]=3 619 B3R0.2 CP(C)C 104924 [1,1,0,0,0,0|1,0,0]=3 620 B3R0.2 CS(=O)[O-] 001284 [1,1,0,0,0,0|1,1,0]=4 621 B3R0.2 CS(C)=O 046777 [1,1,0,0,0,0|1,0,0]=3 622 B3R0.2 CS(C)=O 099368 [1,1,0,0,0,0|1,0,0]=3 623 B3R0.2 CS(C)=O 102741 [1,1,0,0,0,0|1,0,0]=3 624 B3R0.2 C[N+](=O)[O-] 099354 [1,1,0,0,0,0|1,1,0]=4 625 B3R0.2 C[N+](=O)[O-] 104857 [1,1,0,0,0,0|1,1,0]=4 626 B3R0.2 C[N+](=O)[O-] BR1297 [1,1,0,0,0,0|1,1,0]=4 627 B3R0.2 C[S+](C)C 175000 [1,1,0,0,0,0|1,0,0]=3 628 B3R0.2 C[SiH](C)Cl S06975 [1,1,0,0,0,0|0,1,0]=3 629 B3R0.2 ClC(Br)Br 001073 [1,1,0,0,0,0|2,0,0]=4 630 B3R0.2 ClC(Cl)Cl 095000 [1,1,0,0,0,0|2,0,0]=4 631 B3R0.2 ClC(Cl)Cl 101614 [1,1,0,0,0,0|2,0,0]=4 632 B3R0.2 FC(F)I 106958 [1,1,0,0,0,0|2,0,0]=4 633 B3R0.2 IC(I)I 102350 [1,1,0,0,0,0|2,0,0]=4 634 B5R0.1 C#CCC(C)C 104535 [0,2,0,0,0,0|1,0,0]=3 635 B5R0.1 C#CCC(C)O 532537 [0,2,0,0,0,0|1,0,0]=3 636 B5R0.1 C=C(C)CCBr 223736 [0,2,0,0,0,0|1,0,0]=3 637 B5R0.1 C=C(C)CCO 358461 [0,2,0,0,0,0|0,1,0]=3 638 B5R0.1 C=C(C)OCC 471668 [0,2,0,0,0,0|1,0,1]=4 639 B5R0.1 C=CCC(C)C 106337 [0,2,0,0,0,0|1,0,0]=3 640 B5R0.1 CC(=O)CCCl 069833 [0,2,0,0,0,0|1,0,0]=3 641 B5R0.1 CC(=O)CCO 358442 [0,2,0,0,0,0|0,1,0]=3 642 B5R0.1 CC(=O)NCO 430081 [0,2,0,0,0,0|0,1,1]=4 643 B5R0.1 CC(Br)CCBr BR1240 [0,2,0,0,0,0|1,0,0]=3 644 B5R0.1 CC(C)=CCBr 053316 [0,2,0,0,0,0|1,0,1]=4 645 B5R0.1 CC(C)=CCCl 349314 [0,2,0,0,0,0|1,0,1]=4 646 B5R0.1 CC(C)=CCO 358414 [0,2,0,0,0,0|0,1,1]=4 647 B5R0.1 CC(C)CC#N 386919 [0,2,0,0,0,0|1,0,0]=3 648 B5R0.1 CC(C)CC=O 094970 [0,2,0,0,0,0|0,1,0]=3 649 B5R0.1 CC(C)CCBr BR1353 [0,2,0,0,0,0|1,0,0]=3 650 B5R0.1 CC(C)CCI 046949 [0,2,0,0,0,0|1,0,0]=3 651 B5R0.1 CC(C)CCN 097749 [0,2,0,0,0,0|1,0,0]=3 652 B5R0.1 CC(C)CCO 097704 [0,2,0,0,0,0|0,1,0]=3 653 B5R0.1 CC(C)CCO 103352 [0,2,0,0,0,0|0,1,0]=3 654 B5R0.1 CC(C)CCS 358459 [0,2,0,0,0,0|0,0,0]=2 655 B5R0.1 CC(C)CNN 023508 [0,2,0,0,0,0|1,0,0]=3 656 B5R0.1 CC(C)N=C=S 008986 [0,2,0,0,0,0|0,0,2]=4 657 B5R0.1 CC(C)NC=O 103706 [0,2,0,0,0,0|0,1,1]=4 658 B5R0.1 CC(C)SC#N 005915 [0,2,0,0,0,0|1,0,1]=4 659 B5R0.1 CC(O)CCO 099380 [0,2,0,0,0,0|0,1,0]=3 660 B5R0.1 CCCB(O)O 092177 [0,2,0,0,0,0|0,1,0]=3 661 B5R0.1 CCCC(=O)Cl 098879 [0,2,0,0,0,0|0,1,0]=3 662 B5R0.1 CCCC(=O)O 102473 [0,2,0,0,0,0|0,1,0]=3 663 B5R0.1 CCCC(C)Br 024476 [0,2,0,0,0,0|1,0,0]=3 664 B5R0.1 CCCC(C)Br BR1101 [0,2,0,0,0,0|1,0,0]=3 665 B5R0.1 CCCC(C)C 098758 [0,2,0,0,0,0|1,0,0]=3 666 B5R0.1 CCCC(C)N 097754 [0,2,0,0,0,0|1,0,0]=3 667 B5R0.1 CCCC(C)O 099024 [0,2,0,0,0,0|0,1,0]=3 668 B5R0.1 CCCC(C)S 070734 [0,2,0,0,0,0|0,0,0]=2 669 B5R0.1 CCCC(N)=O 356018 [0,2,0,0,0,0|0,1,0]=3 670 B5R0.1 CCC[C@H](C)O 036089 [0,2,0,0,0,0|0,1,0]=3 671 B5R0.1 CCC[N+](=O)[O-] 520877 [0,2,0,0,0,0|0,1,0]=3 672 B5R0.1 CCNC(C)C 057128 [0,2,0,0,0,0|1,0,0]=3 673 B5R0.1 CCNC(N)=S 099168 [0,2,0,0,0,0|0,0,2]=4 674 B5R0.1 CCOC(=N)N 069301 [0,2,0,0,0,0|1,0,1]=4 675 B5R0.1 CCOC(=O)Cl 099901 [0,2,0,0,0,0|0,1,1]=4 676 B5R0.1 CCOC(C)=N 239394 [0,2,0,0,0,0|1,0,1]=4 677 B5R0.1 CCOC(C)=O 035909 [0,2,0,0,0,0|0,1,1]=4 678 B5R0.1 CCOC(C)=O 099553 [0,2,0,0,0,0|0,1,1]=4 679 B5R0.1 CCOC(C)=O 099895 [0,2,0,0,0,0|0,1,1]=4 680 B5R0.1 CCOC(N)=O 099367 [0,2,0,0,0,0|0,1,1]=4 681 B5R0.1 CCSC(=N)N 358408 [0,2,0,0,0,0|1,0,1]=4 682 B5R0.1 CN(C)CCBr 077959 [0,2,0,0,0,0|1,0,0]=3 683 B5R0.1 CN(C)CCCl 077638 [0,2,0,0,0,0|1,0,0]=3 684 B5R0.1 CN(C)CCN 043851 [0,2,0,0,0,0|1,0,0]=3 685 B5R0.1 CN(C)CCO 044665 [0,2,0,0,0,0|0,1,0]=3 686 B5R0.1 CN(C)CCS 450419 [0,2,0,0,0,0|0,0,0]=2 687 B5R0.1 CNCC(=O)O 095119 [0,2,0,0,0,0|0,1,1]=4 688 B5R0.1 CNCC(C)C 047078 [0,2,0,0,0,0|1,0,0]=3 689 B5R0.1 COCC(=O)Cl 053542 [0,2,0,0,0,0|0,1,1]=4 690 B5R0.1 COCC(=O)O 237785 [0,2,0,0,0,0|0,1,1]=4 691 B5R0.1 COCC(C)=O 002450 [0,2,0,0,0,0|0,1,1]=4 692 B5R0.1 COCC(C)N 402335 [0,2,0,0,0,0|0,1,0]=3 693 B5R0.1 COCC(C)O 093985 [0,2,0,0,0,0|0,1,0]=3 694 B5R0.1 COC[C@@H](C)N 079780 [0,2,0,0,0,0|0,1,0]=3 695 B5R0.1 COC[C@@H](C)O 036090 [0,2,0,0,0,0|0,1,0]=3 696 B5R0.1 CSCC(=O)O 010416 [0,2,0,0,0,0|0,1,1]=4 697 B5R0.1 CSCC(N)=O 092321 [0,2,0,0,0,0|0,1,1]=4 698 B5R0.1 CSCS(C)=O 303199 [0,2,0,0,0,0|1,0,0]=3 699 B5R0.1 C[C@@H](N)CCO 092790 [0,2,0,0,0,0|0,1,0]=3 700 B5R0.1 C[C@@H](O)CCO 041923 [0,2,0,0,0,0|0,1,0]=3 701 B5R0.1 C[C@H](N)CCO 092789 [0,2,0,0,0,0|0,1,0]=3 702 B5R0.1 C[C@H](O)CCO 041922 [0,2,0,0,0,0|0,1,0]=3 703 B5R0.1 NC(=O)CCBr 456436 [0,2,0,0,0,0|0,1,1]=4 704 B5R0.1 NC(=O)CCCl 180018 [0,2,0,0,0,0|0,1,1]=4 705 B5R0.1 NCCC(=O)O 044720 [0,2,0,0,0,0|0,1,1]=4 706 B5R0.1 NCCC(N)=O 221578 [0,2,0,0,0,0|0,1,1]=4 707 B5R0.1 O=C(Cl)CCBr 104627 [0,2,0,0,0,0|0,1,1]=4 708 B5R0.1 O=C(Cl)CCCl 095162 [0,2,0,0,0,0|0,1,1]=4 709 B5R0.1 O=C(O)CCBr 003025 [0,2,0,0,0,0|0,1,1]=4 710 B5R0.1 O=C(O)CCCl 242740 [0,2,0,0,0,0|0,1,1]=4 711 B5R0.1 O=C(O)CCI 003069 [0,2,0,0,0,0|0,1,1]=4 712 B5R0.1 O=C(O)CCO 147100 [0,2,0,0,0,0|0,1,1]=4 713 B5R0.1 O=C(O)CCS 094485 [0,2,0,0,0,0|0,0,1]=3 714 B5R0.1 O=[N+]([O-])CCO 358303 [0,2,0,0,0,0|1,1,0]=4 715 B5R0.3 BrCC(Br)CBr 001242 [0,2,0,0,0,0|1,0,0]=3 716 B5R0.3 C#CC(O)CC 164300 [0,2,0,0,0,0|0,1,0]=3 717 B5R0.3 C=C(CCl)CCl 386371 [0,2,0,0,0,0|1,0,1]=4 718 B5R0.3 C=C(CO)CO 079496 [0,2,0,0,0,0|0,1,1]=4 719 B5R0.3 C=CC(C)C#N 106335 [0,2,0,0,0,0|1,0,1]=4 720 B5R0.3 C=CC(O)CC 464567 [0,2,0,0,0,0|0,1,0]=3 721 B5R0.3 C=CC(O)CO 099464 [0,2,0,0,0,0|0,1,1]=4 722 B5R0.3 CC(CBr)CBr 229847 [0,2,0,0,0,0|1,0,0]=3 723 B5R0.3 CC(CCl)CBr 239837 [0,2,0,0,0,0|1,0,0]=3 724 B5R0.3 CC(CO)CO 242900 [0,2,0,0,0,0|0,1,0]=3 725 B5R0.3 CCC(=O)CBr 002514 [0,2,0,0,0,0|1,0,0]=3 726 B5R0.3 CCC(=O)CC 094591 [0,2,0,0,0,0|1,0,0]=3 727 B5R0.3 CCC(=O)NC 103047 [0,2,0,0,0,0|0,1,1]=4 728 B5R0.3 CCC(=O)NN 026652 [0,2,0,0,0,0|0,1,1]=4 729 B5R0.3 CCC(Br)CC 358240 [0,2,0,0,0,0|1,0,0]=3 730 B5R0.3 CCC(C)C=O 103622 [0,2,0,0,0,0|0,1,0]=3 731 B5R0.3 CCC(C)CC 098988 [0,2,0,0,0,0|1,0,0]=3 732 B5R0.3 CCC(C)CN 013636 [0,2,0,0,0,0|1,0,0]=3 733 B5R0.3 CCC(C)CO 358145 [0,2,0,0,0,0|0,1,0]=3 734 B5R0.3 CCC(C)NN 046283 [0,2,0,0,0,0|1,0,0]=3 735 B5R0.3 CCC(N)CC 094499 [0,2,0,0,0,0|1,0,0]=3 736 B5R0.3 CCC(N)CO 091481 [0,2,0,0,0,0|0,1,0]=3 737 B5R0.3 CCC(O)C#N 103338 [0,2,0,0,0,0|0,1,0]=3 738 B5R0.3 CCC(O)CC 358049 [0,2,0,0,0,0|0,1,0]=3 739 B5R0.3 CCC(O)CN 002496 [0,2,0,0,0,0|0,1,0]=3 740 B5R0.3 CCN(C)CC 493739 [0,2,0,0,0,0|1,0,0]=3 741 B5R0.3 CCN(O)CC 105777 [0,2,0,0,0,0|1,0,0]=3 742 B5R0.3 CCN(O)CC 129600 [0,2,0,0,0,0|1,0,0]=3 743 B5R0.3 CCS(=O)CC 094782 [0,2,0,0,0,0|1,0,0]=3 744 B5R0.3 CC[C@@H](N)CO 012703 [0,2,0,0,0,0|0,1,0]=3 745 B5R0.3 CC[C@H](C)CO 473128 [0,2,0,0,0,0|0,1,0]=3 746 B5R0.3 CC[C@H](N)CO 012704 [0,2,0,0,0,0|0,1,0]=3 747 B5R0.3 CC\C(C)=N\O 099127 [0,2,0,0,0,0|0,1,1]=4 748 B5R0.3 CNC(=O)CBr 043828 [0,2,0,0,0,0|1,0,1]=4 749 B5R0.3 CNC(=O)CCl 094091 [0,2,0,0,0,0|1,0,1]=4 750 B5R0.3 CNC(=O)CN 075035 [0,2,0,0,0,0|1,0,1]=4 751 B5R0.3 COC(=O)CBr 006774 [0,2,0,0,0,0|1,0,1]=4 752 B5R0.3 COC(=O)CCl 095344 [0,2,0,0,0,0|1,0,1]=4 753 B5R0.3 COC(=O)CI 103193 [0,2,0,0,0,0|1,0,1]=4 754 B5R0.3 COC(=O)CN M03021 [0,2,0,0,0,0|1,0,1]=4 755 B5R0.3 COC(=O)CO 227696 [0,2,0,0,0,0|0,1,1]=4 756 B5R0.3 COC(=O)CS 011917 [0,2,0,0,0,0|0,0,1]=3 757 B5R0.3 COC(=O)SCl 002587 [0,2,0,0,0,0|1,0,1]=4 758 B5R0.3 COC(C)OC 104486 [0,2,0,0,0,0|1,1,0]=4 759 B5R0.3 ClCC(Cl)CCl 099132 [0,2,0,0,0,0|1,0,0]=3 760 B5R0.3 NC(CO)CO 043594 [0,2,0,0,0,0|0,1,0]=3 761 B5R0.3 NCC(=O)CN 245676 [0,2,0,0,0,0|1,0,1]=4 762 B5R0.3 NCC(O)CN 013503 [0,2,0,0,0,0|1,0,0]=3 763 B5R0.3 NCC(O)CO 093744 [0,2,0,0,0,0|0,1,0]=3 764 B5R0.3 NC[C@@H](O)CO 036807 [0,2,0,0,0,0|0,1,0]=3 765 B5R0.3 NC[C@H](O)CCl 320853 [0,2,0,0,0,0|1,0,0]=3 766 B5R0.3 O=C(CCl)CCl 469912 [0,2,0,0,0,0|1,0,1]=4 767 B5R0.3 O=C(CO)CO 093516 [0,2,0,0,0,0|0,1,1]=4 768 B5R0.3 OC(CBr)CBr 242654 [0,2,0,0,0,0|1,0,0]=3 769 B5R0.3 OC(CCl)CCl 214775 [0,2,0,0,0,0|1,0,0]=3 770 B5R0.3 OCC(O)CCl 242924 [0,2,0,0,0,0|0,1,0]=3 771 B5R0.3 OCC(O)CO 094580 [0,2,0,0,0,0|0,1,0]=3 772 B5R0.3 OCC(O)CO 102072 [0,2,0,0,0,0|0,1,0]=3 773 B5R0.3 OCC(O)CO 104202 [0,2,0,0,0,0|0,1,0]=3 774 B5R0.3 OCC(O)CS 104512 [0,2,0,0,0,0|0,0,0]=2 775 B5R0.3 OC[C@@H](O)CCl 079187 [0,2,0,0,0,0|0,1,0]=3 776 B5R0.4 BNC(C)(C)C 101999 [0,2,0,0,0,0|2,0,0]=4 777 B5R0.4 C#CC(C)(C)C 134000 [0,2,0,0,0,0|1,0,1]=4 778 B5R0.4 C#CC(C)(C)Cl 009094 [0,2,0,0,0,0|1,0,1]=4 779 B5R0.4 C#CC(C)(C)N 030955 [0,2,0,0,0,0|1,0,1]=4 780 B5R0.4 C#CC(C)(C)O 077701 [0,2,0,0,0,0|1,0,1]=4 781 B5R0.4 C=CC(C)(C)C 098818 [0,2,0,0,0,0|1,0,1]=4 782 B5R0.4 C=CC(C)(C)O 051281 [0,2,0,0,0,0|1,0,1]=4 783 B5R0.4 CC(C)(Br)CBr 003878 [0,2,0,0,0,0|1,0,0]=3 784 B5R0.4 CC(C)(C)C#N 350843 [0,2,0,0,0,0|1,0,1]=4 785 B5R0.4 CC(C)(C)C=O 095838 [0,2,0,0,0,0|0,1,1]=4 786 B5R0.4 CC(C)(C)CI 099189 [0,2,0,0,0,0|1,0,0]=3 787 B5R0.4 CC(C)(C)CN 160000 [0,2,0,0,0,0|1,0,0]=3 788 B5R0.4 CC(C)(C)CO 094979 [0,2,0,0,0,0|0,1,0]=3 789 B5R0.4 CC(C)(C)NN 042252 [0,2,0,0,0,0|2,0,0]=4 790 B5R0.4 CC(C)(C)NO 069319 [0,2,0,0,0,0|1,1,0]=4 791 B5R0.4 CC(C)(C)[Mg]Cl 102582 [0,2,0,0,0,0|2,0,0]=4 792 B5R0.4 CC(C)(C)[Mg]Cl 104904 [0,2,0,0,0,0|2,0,0]=4 793 B5R0.4 CC(C)(N)CN 051242 [0,2,0,0,0,0|1,0,0]=3 794 B5R0.4 CC(C)(N)CO 094438 [0,2,0,0,0,0|0,1,0]=3 795 B5R0.4 CC(C)(O)C#N 102614 [0,2,0,0,0,0|1,0,1]=4 796 B5R0.4 CC(C)(O)CCl 120400 [0,2,0,0,0,0|1,0,0]=3 797 B5R0.4 CC(C)(O)CN 041912 [0,2,0,0,0,0|1,0,0]=3 798 B5R0.4 CC(C)(O)CO 080226 [0,2,0,0,0,0|0,1,0]=3 799 B5R0.4 CC(F)(F)CO 034700 [0,2,0,0,0,0|0,1,0]=3 800 B5R0.4 CCC(C)(C)Br 005914 [0,2,0,0,0,0|1,0,0]=3 801 B5R0.4 CCC(C)(C)N 102046 [0,2,0,0,0,0|1,0,0]=3 802 B5R0.4 CCC(C)(C)O 094937 [0,2,0,0,0,0|0,1,0]=3 803 B5R0.4 CCC(C)(C)O 094938 [0,2,0,0,0,0|0,1,0]=3 804 B5R0.4 CCC(C)(C)O 098852 [0,2,0,0,0,0|0,1,0]=3 805 B5R0.4 CCC(C)(C)[O-] 094579 [0,2,0,0,0,0|0,1,0]=3 806 B5R0.4 CCC(C)(C)[O-] 104770 [0,2,0,0,0,0|0,1,0]=3 807 B5R0.4 CCC(C)(C)[O-] 105003 [0,2,0,0,0,0|0,1,0]=3 808 B5R0.4 CCS(=O)(=O)Cl 044992 [0,2,0,0,0,0|1,1,0]=4 809 B5R0.4 CCS(N)(=O)=O 022080 [0,2,0,0,0,0|1,1,0]=4 810 B5R0.4 CC[B-](F)(F)F 046296 [0,2,0,0,0,0|2,0,0]=4 811 B5R0.4 CC[Si](C)(C)Cl 005276 [0,2,0,0,0,0|1,1,0]=4 812 B5R0.4 CC[Si](Cl)(Cl)Cl S08825 [0,2,0,0,0,0|1,1,0]=4 813 B5R0.4 CNC(C)(C)C 024302 [0,2,0,0,0,0|2,0,0]=4 814 B5R0.4 COC(C)(C)C 044713 [0,2,0,0,0,0|2,0,0]=4 815 B5R0.4 COC(C)(C)C 044713 [0,2,0,0,0,0|2,0,0]=4 816 B5R0.4 COC(C)(C)C 099538 [0,2,0,0,0,0|2,0,0]=4 817 B5R0.4 C[Si](C)(C)CBr S02925 [0,2,0,0,0,0|1,1,0]=4 818 B5R0.4 C[Si](C)(C)CCl S04425 [0,2,0,0,0,0|1,1,0]=4 819 B5R0.4 C[Si](C)(C)CI S10025 [0,2,0,0,0,0|1,1,0]=4 820 B5R0.4 C[Si](C)(Cl)CBr S02900 [0,2,0,0,0,0|1,1,0]=4 821 B5R0.4 C[Si](C)(Cl)CCl 005267 [0,2,0,0,0,0|1,1,0]=4 822 B5R0.4 FC(F)(F)CI 001536 [0,2,0,0,0,0|2,0,0]=4 823 B5R0.4 NCC(F)(F)F 003057 [0,2,0,0,0,0|2,0,0]=4 824 B5R0.4 NCC(F)(F)F 007517 [0,2,0,0,0,0|2,0,0]=4 825 B5R0.4 OCC(Cl)(Cl)Cl 239911 [0,2,0,0,0,0|1,1,0]=4 826 B5R0.4 OCC(F)(F)F 001273 [0,2,0,0,0,0|1,1,0]=4 827 B5R0.4 OCC(F)(F)F 102144 [0,2,0,0,0,0|1,1,0]=4 828 B5R0.4 [C-]#[N+]C(C)(C)C 021022 [0,2,0,0,0,0|2,0,0]=4 829 B5R0.5 BrC(Br)C(Br)Br 106529 [0,2,0,0,0,0|2,0,0]=4 830 B5R0.5 CC(=O)C(C)C 098965 [0,2,0,0,0,0|0,1,1]=4 831 B5R0.5 CC(=O)C(C)Cl 520345 [0,2,0,0,0,0|0,1,1]=4 832 B5R0.5 CC(=O)C(C)O 449308 [0,2,0,0,0,0|0,1,1]=4 833 B5R0.5 CC(=O)C(F)F 025165 [0,2,0,0,0,0|1,0,1]=4 834 B5R0.5 CC(Br)C(=O)Br BR1124 [0,2,0,0,0,0|0,1,1]=4 835 B5R0.5 CC(Br)C(=O)O BR1120 [0,2,0,0,0,0|0,1,1]=4 836 B5R0.5 CC(Br)C(C)Br 001074 [0,2,0,0,0,0|1,0,0]=3 837 B5R0.5 CC(Br)C(N)=O 222852 [0,2,0,0,0,0|0,1,1]=4 838 B5R0.5 CC(C)B(O)O 065614 [0,2,0,0,0,0|1,1,0]=4 839 B5R0.5 CC(C)C(=N)N 017191 [0,2,0,0,0,0|1,0,1]=4 840 B5R0.5 CC(C)C(=O)Cl 005019 [0,2,0,0,0,0|0,1,1]=4 841 B5R0.5 CC(C)C(=O)O 099395 [0,2,0,0,0,0|0,1,1]=4 842 B5R0.5 CC(C)C(C)C 101556 [0,2,0,0,0,0|1,0,0]=3 843 B5R0.5 CC(C)C(N)=O 091536 [0,2,0,0,0,0|0,1,1]=4 844 B5R0.5 CC(C)N(C)C 103843 [0,2,0,0,0,0|2,0,0]=4 845 B5R0.5 CC(C)S(=O)[O-] 035599 [0,2,0,0,0,0|1,1,0]=4 846 B5R0.5 CC(C)[N+](=O)[O-] 098355 [0,2,0,0,0,0|1,1,0]=4 847 B5R0.5 CC(Cl)C(=O)Cl 099576 [0,2,0,0,0,0|0,1,1]=4 848 B5R0.5 CC(Cl)C(=O)O 240303 [0,2,0,0,0,0|0,1,1]=4 849 B5R0.5 CC(Cl)C(N)=O 369655 [0,2,0,0,0,0|0,1,1]=4 850 B5R0.5 CC(F)C(=O)O 024847 [0,2,0,0,0,0|0,1,1]=4 851 B5R0.5 CC(N)C(=O)O 094978 [0,2,0,0,0,0|0,1,1]=4 852 B5R0.5 CC(O)C(=O)O 995229 [0,2,0,0,0,0|0,1,1]=4 853 B5R0.5 CC(O)C(=O)[O-] 492494 [0,2,0,0,0,0|0,1,1]=4 854 B5R0.5 CC(O)C(N)=O 341750 [0,2,0,0,0,0|0,1,1]=4 855 B5R0.5 CC(S)C(=O)O 520330 [0,2,0,0,0,0|0,1,1]=4 856 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [0,2,0,0,0,0|0,1,1]=4 857 B5R0.5 C[C@@H](N)C(=O)O M02932 [0,2,0,0,0,0|0,1,1]=4 858 B5R0.5 C[C@@H](N)C(N)=O 076723 [0,2,0,0,0,0|0,1,1]=4 859 B5R0.5 C[C@@H](O)C(=O)O 208594 [0,2,0,0,0,0|0,1,1]=4 860 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [0,2,0,0,0,0|0,1,1]=4 861 B5R0.5 C[C@@H](O)C(N)=O 094768 [0,2,0,0,0,0|0,1,1]=4 862 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [0,2,0,0,0,0|0,1,0]=3 863 B5R0.5 C[C@H](Br)C(=O)O 094052 [0,2,0,0,0,0|0,1,1]=4 864 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [0,2,0,0,0,0|1,0,0]=3 865 B5R0.5 C[C@H](Cl)C(=O)O 216004 [0,2,0,0,0,0|0,1,1]=4 866 B5R0.5 C[C@H](N)C(=O)O 080323 [0,2,0,0,0,0|0,1,1]=4 867 B5R0.5 C[C@H](N)C(N)=O 092189 [0,2,0,0,0,0|0,1,1]=4 868 B5R0.5 C[C@H](O)C(=O)O 103316 [0,2,0,0,0,0|0,1,1]=4 869 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [0,2,0,0,0,0|0,1,1]=4 870 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [0,2,0,0,0,0|0,1,0]=3 871 B5R0.5 C[C@H](O)[C@H](C)O 044770 [0,2,0,0,0,0|0,1,0]=3 872 B5R0.5 ClC(Cl)C(Cl)Cl 349292 [0,2,0,0,0,0|2,0,0]=4 873 B5R0.2 BrCCCCBr 004638 [0,2,0,0,0,0|1,0,0]=3 874 B5R0.2 BrC\C=C\CBr 094548 [0,2,0,0,0,0|1,0,1]=4 875 B5R0.2 C#CCCC#N 122200 [0,2,0,0,0,0|1,0,1]=4 876 B5R0.2 C#CCCCC 098932 [0,2,0,0,0,0|1,0,0]=3 877 B5R0.2 C#CCCCCl 120900 [0,2,0,0,0,0|1,0,0]=3 878 B5R0.2 C#CCCCO 164406 [0,2,0,0,0,0|0,1,0]=3 879 B5R0.2 C=CCCC#N 013686 [0,2,0,0,0,0|1,0,1]=4 880 B5R0.2 C=CCCC=C 106336 [0,2,0,0,0,0|1,0,1]=4 881 B5R0.2 C=CCCCBr 013455 [0,2,0,0,0,0|1,0,0]=3 882 B5R0.2 C=CCCCC 098845 [0,2,0,0,0,0|1,0,0]=3 883 B5R0.2 C=CCCCI 103315 [0,2,0,0,0,0|1,0,0]=3 884 B5R0.2 C=CCCCO 164000 [0,2,0,0,0,0|0,1,0]=3 885 B5R0.2 C=CCCNC 104185 [0,2,0,0,0,0|1,0,0]=3 886 B5R0.2 C=COCCO 463043 [0,2,0,0,0,0|0,1,1]=4 887 B5R0.2 CC#CCCC 145600 [0,2,0,0,0,0|1,0,0]=3 888 B5R0.2 CC#CCCO 010354 [0,2,0,0,0,0|0,1,0]=3 889 B5R0.2 CCC#CCBr 009064 [0,2,0,0,0,0|1,0,0]=3 890 B5R0.2 CCC#CCO 164400 [0,2,0,0,0,0|0,1,0]=3 891 B5R0.2 CCCCC#N 386692 [0,2,0,0,0,0|1,0,0]=3 892 B5R0.2 CCCCC=O 094967 [0,2,0,0,0,0|0,1,0]=3 893 B5R0.2 CCCCC=O 106333 [0,2,0,0,0,0|0,1,0]=3 894 B5R0.2 CCCCCBr 098930 [0,2,0,0,0,0|1,0,0]=3 895 B5R0.2 CCCCCC 094916 [0,2,0,0,0,0|1,0,0]=3 896 B5R0.2 CCCCCC 099897 [0,2,0,0,0,0|1,0,0]=3 897 B5R0.2 CCCCCC 102229 [0,2,0,0,0,0|1,0,0]=3 898 B5R0.2 CCCCCC 102412 [0,2,0,0,0,0|1,0,0]=3 899 B5R0.2 CCCCCI 349297 [0,2,0,0,0,0|1,0,0]=3 900 B5R0.2 CCCCCN 099587 [0,2,0,0,0,0|1,0,0]=3 901 B5R0.2 CCCCCO 101568 [0,2,0,0,0,0|0,1,0]=3 902 B5R0.2 CCCCNC 098817 [0,2,0,0,0,0|1,0,0]=3 903 B5R0.2 CCCCNN 324841 [0,2,0,0,0,0|1,0,0]=3 904 B5R0.2 CCCC[Zn]Br 213843 [0,2,0,0,0,0|1,0,0]=3 905 B5R0.2 CCCN=C=S 009571 [0,2,0,0,0,0|0,0,1]=3 906 B5R0.2 CCCNCC 099259 [0,2,0,0,0,0|1,0,0]=3 907 B5R0.2 CCC\C=N\O 099610 [0,2,0,0,0,0|0,1,0]=3 908 B5R0.2 CCNCCO 094818 [0,2,0,0,0,0|0,1,0]=3 909 B5R0.2 CCOCCBr 001004 [0,2,0,0,0,0|1,0,0]=3 910 B5R0.2 CCOCCN 374636 [0,2,0,0,0,0|1,0,0]=3 911 B5R0.2 CCOCCO 037421 [0,2,0,0,0,0|0,1,0]=3 912 B5R0.2 CCSCCCl 001741 [0,2,0,0,0,0|1,0,0]=3 913 B5R0.2 CCSCCN 390974 [0,2,0,0,0,0|1,0,0]=3 914 B5R0.2 CCSCCO 002951 [0,2,0,0,0,0|0,1,0]=3 915 B5R0.2 CCSSCC 103992 [0,2,0,0,0,0|1,0,0]=3 916 B5R0.2 CC\C=C/CO 386381 [0,2,0,0,0,0|0,1,0]=3 917 B5R0.2 CC\C=C\C=O 466581 [0,2,0,0,0,0|0,1,1]=4 918 B5R0.2 CC\C=C\CBr 106316 [0,2,0,0,0,0|1,0,0]=3 919 B5R0.2 CNCCC#N 242856 [0,2,0,0,0,0|1,0,0]=3 920 B5R0.2 CNCCCN 300980 [0,2,0,0,0,0|1,0,0]=3 921 B5R0.2 CNCCCO 239815 [0,2,0,0,0,0|0,1,0]=3 922 B5R0.2 CNCCNC 043850 [0,2,0,0,0,0|1,0,0]=3 923 B5R0.2 CNCCOC 011340 [0,2,0,0,0,0|0,1,0]=3 924 B5R0.2 COCCC#N 154600 [0,2,0,0,0,0|1,0,0]=3 925 B5R0.2 COCCCBr 043598 [0,2,0,0,0,0|0,1,0]=3 926 B5R0.2 COCCCN 242837 [0,2,0,0,0,0|0,1,0]=3 927 B5R0.2 COCCCO 078666 [0,2,0,0,0,0|0,1,0]=3 928 B5R0.2 COCCOC 098861 [0,2,0,0,0,0|0,1,0]=3 929 B5R0.2 COCCOC 106693 [0,2,0,0,0,0|0,1,0]=3 930 B5R0.2 CSCCC=O 103329 [0,2,0,0,0,0|0,0,1]=3 931 B5R0.2 CSCCCN 103438 [0,2,0,0,0,0|0,0,0]=2 932 B5R0.2 CSCCCO 069294 [0,2,0,0,0,0|0,0,0]=2 933 B5R0.2 C\C=C\OCC 103024 [0,2,0,0,0,0|1,0,1]=4 934 B5R0.2 ClCC#CCCl 127600 [0,2,0,0,0,0|1,0,1]=4 935 B5R0.2 ClCCCCBr 235481 [0,2,0,0,0,0|1,0,0]=3 936 B5R0.2 ClCCCCCl 099062 [0,2,0,0,0,0|1,0,0]=3 937 B5R0.2 ClCCCCI 242676 [0,2,0,0,0,0|1,0,0]=3 938 B5R0.2 ClC\C=C/CCl 094794 [0,2,0,0,0,0|1,0,1]=4 939 B5R0.2 FCCCCBr 001725 [0,2,0,0,0,0|1,0,0]=3 940 B5R0.2 ICCCCI 239851 [0,2,0,0,0,0|1,0,0]=3 941 B5R0.2 N#CCCC#N 095382 [0,2,0,0,0,0|1,0,1]=4 942 B5R0.2 N#CCCCBr 001102 [0,2,0,0,0,0|1,0,0]=3 943 B5R0.2 N#CCCCCl 097788 [0,2,0,0,0,0|1,0,0]=3 944 B5R0.2 N#CCCCI 101902 [0,2,0,0,0,0|1,0,0]=3 945 B5R0.2 NCCCCBr 227649 [0,2,0,0,0,0|1,0,0]=3 946 B5R0.2 NCCCCN 098368 [0,2,0,0,0,0|1,0,0]=3 947 B5R0.2 NCCCCO 036678 [0,2,0,0,0,0|0,1,0]=3 948 B5R0.2 O=C=NCCBr 098505 [0,2,0,0,0,0|0,1,1]=4 949 B5R0.2 O=C=NCCCl 067807 [0,2,0,0,0,0|0,1,1]=4 950 B5R0.2 OCC#CCO 009074 [0,2,0,0,0,0|0,1,1]=4 951 B5R0.2 OCCCCBr 036997 [0,2,0,0,0,0|0,1,0]=3 952 B5R0.2 OCCCCCl 097634 [0,2,0,0,0,0|0,1,0]=3 953 B5R0.2 OC\C=C/CO 095819 [0,2,0,0,0,0|0,1,1]=4 954 B5R0.2 OC\C=C/CO 098937 [0,2,0,0,0,0|0,1,1]=4 955 B5R0.2 S=C=NCCCl 002532 [0,2,0,0,0,0|0,0,2]=4 956 B5R0.2 SCCCCS 102622 [0,2,0,0,0,0|0,0,0]=2 957 B5R0.2 [C-]#[N+]CCCC 021027 [0,2,0,0,0,0|1,0,0]=3 958 B5R0.2 [N-]=[N+]=NCCO 062213 [0,2,0,0,0,0|1,1,0]=4 959 B3R1.1 C1CS1 046805 [1,0,0,1,0,0|0,0,0]=2 960 B3R1.1 C1NO1 433335 [1,0,0,1,0,0|1,1,0]=4 961 B5R1.2 BrC1COC1 107040 [0,1,0,1,0,0|0,1,0]=3 962 B5R1.2 BrC1COC1 223475 [0,1,0,1,0,0|0,1,0]=3 963 B5R1.2 IC1COC1 242158 [0,1,0,1,0,0|0,1,0]=3 964 B5R1.2 NC1CCC1 003370 [0,1,0,1,0,0|1,0,0]=3 965 B5R1.2 NC1COC1 320095 [0,1,0,1,0,0|0,1,0]=3 966 B5R1.2 O=C1CCC1 033237 [0,1,0,1,0,0|0,1,0]=3 967 B5R1.2 O=C1CCO1 167800 [0,1,0,1,0,0|0,1,1]=4 968 B5R1.2 O=C1COC1 044814 [0,1,0,1,0,0|0,1,1]=4 969 B5R1.2 OC1CCC1 003407 [0,1,0,1,0,0|0,1,0]=3 970 B5R1.2 OC1CNC1 013898 [0,1,0,1,0,0|0,1,0]=3 971 B5R1.2 OC1COC1 069085 [0,1,0,1,0,0|0,1,0]=3 972 B5R1.3 BrCC1CC1 003713 [0,1,0,1,0,0|1,0,0]=3 973 B5R1.3 BrCC1CO1 BR1167 [0,1,0,1,0,0|0,1,0]=3 974 B5R1.3 C#CC1CC1 358398 [0,1,0,1,0,0|1,0,0]=3 975 B5R1.3 CCC1CO1 046729 [0,1,0,1,0,0|0,1,0]=3 976 B5R1.3 ClCC1CC1 049157 [0,1,0,1,0,0|1,0,0]=3 977 B5R1.3 ClCC1CO1 095340 [0,1,0,1,0,0|0,1,0]=3 978 B5R1.3 ClC[C@@H]1CO1 023907 [0,1,0,1,0,0|0,1,0]=3 979 B5R1.3 ClC[C@H]1CO1 023906 [0,1,0,1,0,0|0,1,0]=3 980 B5R1.3 ICC1CC1 062968 [0,1,0,1,0,0|1,0,0]=3 981 B5R1.3 N#CC1CC1 005110 [0,1,0,1,0,0|1,0,0]=3 982 B5R1.3 NCC1CC1 044419 [0,1,0,1,0,0|1,0,0]=3 983 B5R1.3 NCC1CC1 329340 [0,1,0,1,0,0|1,0,0]=3 984 B5R1.3 O=CC1CC1 065337 [0,1,0,1,0,0|0,1,0]=3 985 B5R1.3 OCC1CC1 003372 [0,1,0,1,0,0|0,1,0]=3 986 B5R1.3 OCC1CO1 349304 [0,1,0,1,0,0|0,1,0]=3 987 B5R1.3 OC[C@@H]1CO1 208588 [0,1,0,1,0,0|0,1,0]=3 988 B5R1.3 OC[C@H]1CO1 091841 [0,1,0,1,0,0|0,1,0]=3 989 B5R1.5 CC1(C)CO1 150500 [0,1,0,1,0,0|0,1,0]=3 990 B5R1.1 C1=CCCC1 520876 [0,1,0,1,0,0|1,0,0]=3 991 B5R1.1 C1=CCNC1 013932 [0,1,0,1,0,0|1,0,1]=4 992 B5R1.1 C1=COCC1 051266 [0,1,0,1,0,0|0,1,1]=4 993 B5R1.1 C1CCNC1 080281 [0,1,0,1,0,0|1,0,0]=3 994 B5R1.1 C1CCOC1 035914 [0,1,0,1,0,0|0,1,0]=3 995 B5R1.1 C1CCOC1 044988 [0,1,0,1,0,0|0,1,0]=3 996 B5R1.1 C1CCOC1 046883 [0,1,0,1,0,0|0,1,0]=3 997 B5R1.1 C1CCOC1 099898 [0,1,0,1,0,0|0,1,0]=3 998 B5R1.1 C1CCOC1 102161 [0,1,0,1,0,0|0,1,0]=3 999 B5R1.1 C1CCOC1 103783 [0,1,0,1,0,0|0,1,0]=3 1000 B5R1.1 C1CCOC1 104382 [0,1,0,1,0,0|0,1,0]=3 1001 B5R1.1 C1CCOC1 105576 [0,1,0,1,0,0|0,1,0]=3 1002 B5R1.1 C1CCOC1 105743 [0,1,0,1,0,0|0,1,0]=3 1003 B5R1.1 C1CCSC1 019455 [0,1,0,1,0,0|0,0,0]=2 1004 B5R1.1 C1COCO1 098850 [0,1,0,1,0,0|0,1,0]=3 1005 B5R1.1 C1CSCN1 243195 [0,1,0,1,0,0|0,0,0]=2