0 B4R0.2 BrCCCBr 003830 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C#CCCBr 093952 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C#CCCC 164100 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.2 C#CCCN 235851 [0,0,0,0,0,0|0,0,2]=2 4 B4R0.2 C#CCCO 009077 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.2 C#CCOC 044755 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 C#COCC 050428 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 C=CCC#N 355220 [0,0,0,0,0,0|0,0,4]=4 8 B4R0.2 C=CCCBr 010654 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.2 C=CCCCl 106339 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.2 C=CCCI 103032 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.2 C=CCCO 114900 [0,0,0,0,0,0|1,0,2]=3 12 B4R0.2 C=CCNC 069326 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 C=CCON 471484 [0,0,0,0,0,0|1,0,2]=3 14 B4R0.2 C=CCSC 106338 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 C=CC[Pd]Cl 046130 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.2 CC#CCBr 009057 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.2 CC#CCO 009076 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.2 CCCC#N 046731 [0,0,0,0,0,0|0,0,2]=2 19 B4R0.2 CCCC=O 094987 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.2 CCCCBr 098944 [0,0,0,0,0,0|1,0,0]=1 21 B4R0.2 CCCCC 995196 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.2 CCCCI 094442 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.2 CCCCN 094792 [0,0,0,0,0,0|0,0,0]=0 24 B4R0.2 CCCCO 035921 [0,0,0,0,0,0|1,0,0]=1 25 B4R0.2 CCCCO 075156 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.2 CCCCO 101601 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.2 CCCCS 046727 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.2 CCCC[Mg+] 102041 [0,0,0,0,0,0|1,0,0]=1 29 B4R0.2 CCCC[S-] 104802 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.2 CCCNC 056258 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.2 CCN=C=S 053245 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.2 CCNC=O 099258 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.2 CCNCC 043314 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.2 CCNCC 129100 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.2 CCOC=N 099169 [0,0,0,0,0,0|1,0,2]=3 36 B4R0.2 CCOC=O 044728 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.2 CCOCC 075236 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.2 CCOCC 099494 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.2 CCOCC 101608 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.2 CCOCC 105564 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.2 CCOCCl 005431 [0,0,0,0,0,0|2,0,0]=2 42 B4R0.2 CC[SiH2]CC S06500 [0,0,0,0,0,0|1,1,0]=2 43 B4R0.2 CC[Zn]CC 098867 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.2 CC[Zn]CC 098978 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.2 CNCC#N 078723 [0,0,0,0,0,0|1,0,2]=3 46 B4R0.2 CNCC#N 238940 [0,0,0,0,0,0|1,0,2]=3 47 B4R0.2 CNCCN 094592 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.2 CNCCO 095022 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.2 COCC#N 002451 [0,0,0,0,0,0|1,0,2]=3 50 B4R0.2 COCCBr 005433 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.2 COCCN 046846 [0,0,0,0,0,0|1,0,0]=1 52 B4R0.2 COCCO 043320 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.2 COCCO 102150 [0,0,0,0,0,0|2,0,0]=2 54 B4R0.2 COCOC 094560 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.2 CSCCCl 044921 [0,0,0,0,0,0|2,0,0]=2 56 B4R0.2 CSCCO 003087 [0,0,0,0,0,0|2,0,0]=2 57 B4R0.2 C\C=C\C#N 099018 [0,0,0,0,0,0|0,0,4]=4 58 B4R0.2 C\C=C\C=O 245633 [0,0,0,0,0,0|1,0,3]=4 59 B4R0.2 C\C=C\CBr 103776 [0,0,0,0,0,0|1,0,2]=3 60 B4R0.2 C\C=C\CO 103771 [0,0,0,0,0,0|1,0,2]=3 61 B4R0.2 ClCCCBr 094507 [0,0,0,0,0,0|2,0,0]=2 62 B4R0.2 ClCCCCl 101461 [0,0,0,0,0,0|2,0,0]=2 63 B4R0.2 ClCCCI 001486 [0,0,0,0,0,0|2,0,0]=2 64 B4R0.2 ClCSCCl 108200 [0,0,0,0,0,0|3,0,0]=3 65 B4R0.2 Cl\C=C\CCl 358262 [0,0,0,0,0,0|2,0,2]=4 66 B4R0.2 FCCCI 095368 [0,0,0,0,0,0|2,0,0]=2 67 B4R0.2 ICCCI 003098 [0,0,0,0,0,0|2,0,0]=2 68 B4R0.2 N#CCC#N 075146 [0,0,0,0,0,0|1,0,3]=4 69 B4R0.2 N#CCCBr 227728 [0,0,0,0,0,0|1,0,2]=3 70 B4R0.2 N#CCCCl 076020 [0,0,0,0,0,0|1,0,2]=3 71 B4R0.2 N#CCCI 101901 [0,0,0,0,0,0|1,0,2]=3 72 B4R0.2 N#CCCN 105100 [0,0,0,0,0,0|1,0,1]=2 73 B4R0.2 N#CCCO 005000 [0,0,0,0,0,0|1,0,2]=3 74 B4R0.2 NCCCBr 079493 [0,0,0,0,0,0|1,0,0]=1 75 B4R0.2 NCCCCl 095817 [0,0,0,0,0,0|1,0,0]=1 76 B4R0.2 NCCCN 094590 [0,0,0,0,0,0|1,0,0]=1 77 B4R0.2 NCCCO 099680 [0,0,0,0,0,0|1,0,0]=1 78 B4R0.2 NNCCO 069293 [0,0,0,0,0,0|2,0,0]=2 79 B4R0.2 OCCCBr 047460 [0,0,0,0,0,0|2,0,0]=2 80 B4R0.2 OCCCCl 024840 [0,0,0,0,0,0|2,0,0]=2 81 B4R0.2 OCCCF 010306 [0,0,0,0,0,0|2,0,0]=2 82 B4R0.2 OCCCI 002583 [0,0,0,0,0,0|2,0,0]=2 83 B4R0.2 OCCCO 095066 [0,0,0,0,0,0|2,0,0]=2 84 B4R0.2 SCCCCl 099136 [0,0,0,0,0,0|2,0,0]=2 85 B4R0.2 SCCCS 101936 [0,0,0,0,0,0|2,0,0]=2 86 B4R0.2 [Li]CCCC 044819 [0,0,0,0,0,0|1,0,0]=1 87 B3R0.1 BrCCBr 050675 [1,0,0,0,0,0|2,0,0]=3 88 B3R0.1 C#CCBr 167400 [1,0,0,0,0,0|1,0,2]=4 89 B3R0.1 C#CCN 046876 [1,0,0,0,0,0|0,0,2]=3 90 B3R0.1 C#CCN 062949 [1,0,0,0,0,0|0,0,2]=3 91 B3R0.1 C#CCO 167200 [1,0,0,0,0,0|1,0,2]=4 92 B3R0.1 C=CCBr BR1119 [1,0,0,0,0,0|1,0,2]=4 93 B3R0.1 C=CCC 098927 [1,0,0,0,0,0|0,0,2]=3 94 B3R0.1 C=CCCl 094723 [1,0,0,0,0,0|1,0,2]=4 95 B3R0.1 C=CCI 001263 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.1 C=CCN 099131 [1,0,0,0,0,0|0,0,2]=3 97 B3R0.1 C=CCO 099676 [1,0,0,0,0,0|1,0,2]=4 98 B3R0.1 C=CCS 099583 [1,0,0,0,0,0|1,0,2]=4 99 B3R0.1 CC#CC 117205 [1,0,0,0,0,0|0,0,2]=3 100 B3R0.1 CCC#N 094907 [1,0,0,0,0,0|0,0,2]=3 101 B3R0.1 CCC=O 094974 [1,0,0,0,0,0|1,0,1]=3 102 B3R0.1 CCCBr BR1117 [1,0,0,0,0,0|1,0,0]=2 103 B3R0.1 CCCI 005438 [1,0,0,0,0,0|1,0,0]=2 104 B3R0.1 CCCN 101445 [1,0,0,0,0,0|0,0,0]=1 105 B3R0.1 CCCO 098913 [1,0,0,0,0,0|1,0,0]=2 106 B3R0.1 CCCO 102042 [1,0,0,0,0,0|1,0,0]=2 107 B3R0.1 CCCS 098010 [1,0,0,0,0,0|1,0,0]=2 108 B3R0.1 CCC[S-] 104640 [1,0,0,0,0,0|1,0,0]=2 109 B3R0.1 CCNC 044624 [1,0,0,0,0,0|1,0,0]=2 110 B3R0.1 CCON 092211 [1,0,0,0,0,0|1,0,0]=2 111 B3R0.1 CNC=O 098971 [1,0,0,0,0,0|2,0,1]=4 112 B3R0.1 CNNC 446438 [1,0,0,0,0,0|2,0,0]=3 113 B3R0.1 CNOC 023913 [1,0,0,0,0,0|2,0,0]=3 114 B3R0.1 COC=O 101914 [1,0,0,0,0,0|2,0,1]=4 115 B3R0.1 COCBr 005432 [1,0,0,0,0,0|2,0,0]=3 116 B3R0.1 CSC#N 002936 [1,0,0,0,0,0|1,0,2]=4 117 B3R0.1 CSCCl 075261 [1,0,0,0,0,0|2,0,0]=3 118 B3R0.1 CSSC 094878 [1,0,0,0,0,0|2,0,0]=3 119 B3R0.1 C\C=C/C 105248 [1,0,0,0,0,0|0,0,2]=3 120 B3R0.1 C\C=C\C 102601 [1,0,0,0,0,0|0,0,2]=3 121 B3R0.1 C\C=N\O 102319 [1,0,0,0,0,0|2,0,1]=4 122 B3R0.1 C\C=N\O 358241 [1,0,0,0,0,0|2,0,1]=4 123 B3R0.1 ClCCBr BR1051 [1,0,0,0,0,0|2,0,0]=3 124 B3R0.1 ClCCCl 043318 [1,0,0,0,0,0|2,0,0]=3 125 B3R0.1 ClCCCl 102594 [1,0,0,0,0,0|2,0,0]=3 126 B3R0.1 ClCCI 001485 [1,0,0,0,0,0|2,0,0]=3 127 B3R0.1 FCCI 095367 [1,0,0,0,0,0|2,0,0]=3 128 B3R0.1 ICCI 103493 [1,0,0,0,0,0|2,0,0]=3 129 B3R0.1 N#CCBr 001264 [1,0,0,0,0,0|1,0,2]=4 130 B3R0.1 N#CCCl 008863 [1,0,0,0,0,0|1,0,2]=4 131 B3R0.1 N#CCI 001086 [1,0,0,0,0,0|1,0,2]=4 132 B3R0.1 N#CCN 079136 [1,0,0,0,0,0|1,0,1]=3 133 B3R0.1 NCCBr 078524 [1,0,0,0,0,0|1,0,0]=2 134 B3R0.1 NCCCl 119280 [1,0,0,0,0,0|1,0,0]=2 135 B3R0.1 NCCCl 362131 [1,0,0,0,0,0|1,0,0]=2 136 B3R0.1 NCCF 078652 [1,0,0,0,0,0|1,0,0]=2 137 B3R0.1 NCCF 364319 [1,0,0,0,0,0|1,0,0]=2 138 B3R0.1 NCCN 043401 [1,0,0,0,0,0|1,0,0]=2 139 B3R0.1 NCCN 105894 [1,0,0,0,0,0|1,0,0]=2 140 B3R0.1 NCCN 139700 [1,0,0,0,0,0|1,0,0]=2 141 B3R0.1 NCCO 043400 [1,0,0,0,0,0|1,0,0]=2 142 B3R0.1 NCCO 103645 [1,0,0,0,0,0|1,0,0]=2 143 B3R0.1 NCCO 492434 [1,0,0,0,0,0|1,0,0]=2 144 B3R0.1 NCCS 003420 [1,0,0,0,0,0|1,0,0]=2 145 B3R0.1 NNC=O 099623 [1,0,0,0,0,0|2,0,1]=4 146 B3R0.1 O=CCCl 098847 [1,0,0,0,0,0|2,0,1]=4 147 B3R0.1 OCCBr 111300 [1,0,0,0,0,0|2,0,0]=3 148 B3R0.1 OCCCl 094877 [1,0,0,0,0,0|2,0,0]=3 149 B3R0.1 OCCI 001387 [1,0,0,0,0,0|2,0,0]=3 150 B3R0.1 OCCI 102984 [1,0,0,0,0,0|2,0,0]=3 151 B3R0.1 OCCO 044710 [1,0,0,0,0,0|2,0,0]=3 152 B3R0.1 OCCS 003836 [1,0,0,0,0,0|2,0,0]=3 153 B3R0.1 SCCS M03555 [1,0,0,0,0,0|2,0,0]=3 154 B3R0.1 [2H]OCC 101892 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.1 C#CCC(C)C 104535 [0,1,0,0,0,0|1,0,1]=3 156 B5R0.1 C#CCC(C)O 532537 [0,1,0,0,0,0|1,0,1]=3 157 B5R0.1 C=C(C)CCBr 223736 [0,1,0,0,0,0|1,0,1]=3 158 B5R0.1 C=C(C)CCO 358461 [0,1,0,0,0,0|1,0,1]=3 159 B5R0.1 C=C(C)OCC 471668 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.1 C=CCC(C)C 106337 [0,1,0,0,0,0|1,0,1]=3 161 B5R0.1 CC(=O)CCCl 069833 [0,1,0,0,0,0|1,0,1]=3 162 B5R0.1 CC(=O)CCO 358442 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.1 CC(=O)NCO 430081 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.1 CC(Br)CCBr BR1240 [0,1,0,0,0,0|1,0,0]=2 165 B5R0.1 CC(C)=CCBr 053316 [0,1,0,0,0,0|1,0,2]=4 166 B5R0.1 CC(C)=CCCl 349314 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.1 CC(C)=CCO 358414 [0,1,0,0,0,0|1,0,2]=4 168 B5R0.1 CC(C)CC#N 386919 [0,1,0,0,0,0|0,0,2]=3 169 B5R0.1 CC(C)CC=O 094970 [0,1,0,0,0,0|1,0,1]=3 170 B5R0.1 CC(C)CCBr BR1353 [0,1,0,0,0,0|1,0,0]=2 171 B5R0.1 CC(C)CCI 046949 [0,1,0,0,0,0|1,0,0]=2 172 B5R0.1 CC(C)CCN 097749 [0,1,0,0,0,0|0,0,0]=1 173 B5R0.1 CC(C)CCO 097704 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.1 CC(C)CCO 103352 [0,1,0,0,0,0|1,0,0]=2 175 B5R0.1 CC(C)CCS 358459 [0,1,0,0,0,0|1,0,0]=2 176 B5R0.1 CC(C)CNN 023508 [0,1,0,0,0,0|1,0,0]=2 177 B5R0.1 CC(C)N=C=S 008986 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 CC(C)NC=O 103706 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.1 CC(C)SC#N 005915 [0,1,0,0,0,0|1,0,2]=4 180 B5R0.1 CC(O)CCO 099380 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.1 CCCB(O)O 092177 [0,1,0,0,0,0|2,0,0]=3 182 B5R0.1 CCCC(=O)Cl 098879 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.1 CCCC(=O)O 102473 [0,1,0,0,0,0|1,0,1]=3 184 B5R0.1 CCCC(C)Br 024476 [0,1,0,0,0,0|1,0,0]=2 185 B5R0.1 CCCC(C)Br BR1101 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.1 CCCC(C)C 098758 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.1 CCCC(C)N 097754 [0,1,0,0,0,0|0,0,0]=1 188 B5R0.1 CCCC(C)O 099024 [0,1,0,0,0,0|1,0,0]=2 189 B5R0.1 CCCC(C)S 070734 [0,1,0,0,0,0|1,0,0]=2 190 B5R0.1 CCCC(N)=O 356018 [0,1,0,0,0,0|0,0,1]=2 191 B5R0.1 CCC[C@H](C)O 036089 [0,1,0,0,0,0|1,0,0]=2 192 B5R0.1 CCC[N+](=O)[O-] 520877 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.1 CCNC(C)C 057128 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.1 CCNC(N)=S 099168 [0,1,0,0,0,0|1,0,1]=3 195 B5R0.1 CCOC(=N)N 069301 [0,1,0,0,0,0|1,0,1]=3 196 B5R0.1 CCOC(=O)Cl 099901 [0,1,0,0,0,0|2,0,1]=4 197 B5R0.1 CCOC(C)=N 239394 [0,1,0,0,0,0|1,0,2]=4 198 B5R0.1 CCOC(C)=O 035909 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.1 CCOC(C)=O 099553 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.1 CCOC(C)=O 099895 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.1 CCOC(N)=O 099367 [0,1,0,0,0,0|1,0,1]=3 202 B5R0.1 CCSC(=N)N 358408 [0,1,0,0,0,0|1,0,1]=3 203 B5R0.1 CN(C)CCBr 077959 [0,1,0,0,0,0|2,0,0]=3 204 B5R0.1 CN(C)CCCl 077638 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.1 CN(C)CCN 043851 [0,1,0,0,0,0|1,0,0]=2 206 B5R0.1 CN(C)CCO 044665 [0,1,0,0,0,0|2,0,0]=3 207 B5R0.1 CN(C)CCS 450419 [0,1,0,0,0,0|2,0,0]=3 208 B5R0.1 CNCC(=O)O 095119 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.1 CNCC(C)C 047078 [0,1,0,0,0,0|2,0,0]=3 210 B5R0.1 COCC(=O)Cl 053542 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.1 COCC(=O)O 237785 [0,1,0,0,0,0|2,0,1]=4 212 B5R0.1 COCC(C)=O 002450 [0,1,0,0,0,0|2,0,1]=4 213 B5R0.1 COCC(C)N 402335 [0,1,0,0,0,0|1,0,0]=2 214 B5R0.1 COCC(C)O 093985 [0,1,0,0,0,0|2,0,0]=3 215 B5R0.1 COC[C@@H](C)N 079780 [0,1,0,0,0,0|1,0,0]=2 216 B5R0.1 COC[C@@H](C)O 036090 [0,1,0,0,0,0|2,0,0]=3 217 B5R0.1 CSCC(=O)O 010416 [0,1,0,0,0,0|2,0,1]=4 218 B5R0.1 CSCC(N)=O 092321 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.1 CSCS(C)=O 303199 [0,1,0,0,0,0|3,0,0]=4 220 B5R0.1 C[C@@H](N)CCO 092790 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.1 C[C@@H](O)CCO 041923 [0,1,0,0,0,0|1,0,0]=2 222 B5R0.1 C[C@H](N)CCO 092789 [0,1,0,0,0,0|1,0,0]=2 223 B5R0.1 C[C@H](O)CCO 041922 [0,1,0,0,0,0|1,0,0]=2 224 B5R0.1 N#CCC(N)=O 094603 [0,1,0,0,0,0|1,0,2]=4 225 B5R0.1 N#CCC(N)=S 093533 [0,1,0,0,0,0|1,0,2]=4 226 B5R0.1 NC(=O)CCBr 456436 [0,1,0,0,0,0|1,0,1]=3 227 B5R0.1 NC(=O)CCCl 180018 [0,1,0,0,0,0|1,0,1]=3 228 B5R0.1 NCCC(=O)O 044720 [0,1,0,0,0,0|1,0,1]=3 229 B5R0.1 NCCC(N)=O 221578 [0,1,0,0,0,0|1,0,1]=3 230 B5R0.1 NOCC(=O)O 222804 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.1 O=C(Cl)CCBr 104627 [0,1,0,0,0,0|2,0,1]=4 232 B5R0.1 O=C(Cl)CCCl 095162 [0,1,0,0,0,0|2,0,1]=4 233 B5R0.1 O=C(O)CCBr 003025 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.1 O=C(O)CCCl 242740 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.1 O=C(O)CCI 003069 [0,1,0,0,0,0|2,0,1]=4 236 B5R0.1 O=C(O)CCO 147100 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.1 O=C(O)CCS 094485 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.1 O=[N+]([O-])CCO 358303 [0,1,0,0,0,0|3,0,0]=4 239 B5R0.2 BrCCCCBr 004638 [0,1,0,0,0,0|1,0,0]=2 240 B5R0.2 BrC\C=C\CBr 094548 [0,1,0,0,0,0|1,0,2]=4 241 B5R0.2 C#CCCC#N 122200 [0,1,0,0,0,0|0,0,3]=4 242 B5R0.2 C#CCCCC 098932 [0,1,0,0,0,0|1,0,0]=2 243 B5R0.2 C#CCCCCl 120900 [0,1,0,0,0,0|1,0,1]=3 244 B5R0.2 C#CCCCO 164406 [0,1,0,0,0,0|1,0,1]=3 245 B5R0.2 C=CCCC#N 013686 [0,1,0,0,0,0|0,0,3]=4 246 B5R0.2 C=CCCC=C 106336 [0,1,0,0,0,0|1,0,2]=4 247 B5R0.2 C=CCCCBr 013455 [0,1,0,0,0,0|1,0,1]=3 248 B5R0.2 C=CCCCC 098845 [0,1,0,0,0,0|1,0,0]=2 249 B5R0.2 C=CCCCI 103315 [0,1,0,0,0,0|1,0,1]=3 250 B5R0.2 C=CCCCO 164000 [0,1,0,0,0,0|1,0,1]=3 251 B5R0.2 C=CCCNC 104185 [0,1,0,0,0,0|0,0,2]=3 252 B5R0.2 C=COCCO 463043 [0,1,0,0,0,0|1,0,2]=4 253 B5R0.2 CC#CCCC 145600 [0,1,0,0,0,0|1,0,1]=3 254 B5R0.2 CC#CCCO 010354 [0,1,0,0,0,0|1,0,1]=3 255 B5R0.2 CCC#CCBr 009064 [0,1,0,0,0,0|1,0,1]=3 256 B5R0.2 CCC#CCO 164400 [0,1,0,0,0,0|1,0,1]=3 257 B5R0.2 CCCCC#N 386692 [0,1,0,0,0,0|0,0,1]=2 258 B5R0.2 CCCCC=O 094967 [0,1,0,0,0,0|1,0,0]=2 259 B5R0.2 CCCCC=O 106333 [0,1,0,0,0,0|1,0,0]=2 260 B5R0.2 CCCCCBr 098930 [0,1,0,0,0,0|1,0,0]=2 261 B5R0.2 CCCCCC 094916 [0,1,0,0,0,0|1,0,0]=2 262 B5R0.2 CCCCCC 099897 [0,1,0,0,0,0|1,0,0]=2 263 B5R0.2 CCCCCC 102229 [0,1,0,0,0,0|1,0,0]=2 264 B5R0.2 CCCCCC 102412 [0,1,0,0,0,0|1,0,0]=2 265 B5R0.2 CCCCCI 349297 [0,1,0,0,0,0|1,0,0]=2 266 B5R0.2 CCCCCN 099587 [0,1,0,0,0,0|0,0,0]=1 267 B5R0.2 CCCCCO 101568 [0,1,0,0,0,0|1,0,0]=2 268 B5R0.2 CCCCNC 098817 [0,1,0,0,0,0|0,0,0]=1 269 B5R0.2 CCCCNN 324841 [0,1,0,0,0,0|0,0,0]=1 270 B5R0.2 CCCC[Zn]Br 213843 [0,1,0,0,0,0|1,0,0]=2 271 B5R0.2 CCCN=C=S 009571 [0,1,0,0,0,0|1,0,1]=3 272 B5R0.2 CCCNCC 099259 [0,1,0,0,0,0|1,0,0]=2 273 B5R0.2 CCC\C=N\O 099610 [0,1,0,0,0,0|0,0,2]=3 274 B5R0.2 CCNCCO 094818 [0,1,0,0,0,0|1,0,0]=2 275 B5R0.2 CCOCCBr 001004 [0,1,0,0,0,0|1,0,0]=2 276 B5R0.2 CCOCCN 374636 [0,1,0,0,0,0|0,0,0]=1 277 B5R0.2 CCOCCO 037421 [0,1,0,0,0,0|1,0,0]=2 278 B5R0.2 CCSCCCl 001741 [0,1,0,0,0,0|1,0,0]=2 279 B5R0.2 CCSCCN 390974 [0,1,0,0,0,0|0,0,0]=1 280 B5R0.2 CCSCCO 002951 [0,1,0,0,0,0|1,0,0]=2 281 B5R0.2 CCSSCC 103992 [0,1,0,0,0,0|2,0,0]=3 282 B5R0.2 CC\C=C/CO 386381 [0,1,0,0,0,0|1,0,1]=3 283 B5R0.2 CC\C=C\C=O 466581 [0,1,0,0,0,0|1,0,2]=4 284 B5R0.2 CC\C=C\CBr 106316 [0,1,0,0,0,0|1,0,1]=3 285 B5R0.2 CNCCC#N 242856 [0,1,0,0,0,0|0,0,2]=3 286 B5R0.2 CNCCCN 300980 [0,1,0,0,0,0|0,0,0]=1 287 B5R0.2 CNCCCO 239815 [0,1,0,0,0,0|1,0,0]=2 288 B5R0.2 CNCCNC 043850 [0,1,0,0,0,0|1,0,0]=2 289 B5R0.2 CNCCOC 011340 [0,1,0,0,0,0|1,0,0]=2 290 B5R0.2 COCCC#N 154600 [0,1,0,0,0,0|0,0,2]=3 291 B5R0.2 COCCCBr 043598 [0,1,0,0,0,0|1,0,0]=2 292 B5R0.2 COCCCN 242837 [0,1,0,0,0,0|0,0,0]=1 293 B5R0.2 COCCCO 078666 [0,1,0,0,0,0|1,0,0]=2 294 B5R0.2 COCCOC 098861 [0,1,0,0,0,0|2,0,0]=3 295 B5R0.2 COCCOC 106693 [0,1,0,0,0,0|2,0,0]=3 296 B5R0.2 CSCCC=O 103329 [0,1,0,0,0,0|1,0,1]=3 297 B5R0.2 CSCCCN 103438 [0,1,0,0,0,0|0,0,0]=1 298 B5R0.2 CSCCCO 069294 [0,1,0,0,0,0|1,0,0]=2 299 B5R0.2 C\C=C\OCC 103024 [0,1,0,0,0,0|1,0,2]=4 300 B5R0.2 ClCC#CCCl 127600 [0,1,0,0,0,0|1,0,2]=4 301 B5R0.2 ClCCCCBr 235481 [0,1,0,0,0,0|1,0,0]=2 302 B5R0.2 ClCCCCCl 099062 [0,1,0,0,0,0|1,0,0]=2 303 B5R0.2 ClCCCCI 242676 [0,1,0,0,0,0|1,0,0]=2 304 B5R0.2 ClC\C=C/CCl 094794 [0,1,0,0,0,0|1,0,2]=4 305 B5R0.2 FCCCCBr 001725 [0,1,0,0,0,0|1,0,0]=2 306 B5R0.2 ICCCCI 239851 [0,1,0,0,0,0|1,0,0]=2 307 B5R0.2 N#CCCC#N 095382 [0,1,0,0,0,0|0,0,3]=4 308 B5R0.2 N#CCCCBr 001102 [0,1,0,0,0,0|0,0,2]=3 309 B5R0.2 N#CCCCCl 097788 [0,1,0,0,0,0|0,0,2]=3 310 B5R0.2 N#CCCCI 101902 [0,1,0,0,0,0|0,0,2]=3 311 B5R0.2 NCCCCBr 227649 [0,1,0,0,0,0|0,0,0]=1 312 B5R0.2 NCCCCN 098368 [0,1,0,0,0,0|0,0,0]=1 313 B5R0.2 NCCCCO 036678 [0,1,0,0,0,0|0,0,0]=1 314 B5R0.2 O=C=NCCBr 098505 [0,1,0,0,0,0|2,0,1]=4 315 B5R0.2 O=C=NCCCl 067807 [0,1,0,0,0,0|2,0,1]=4 316 B5R0.2 OCC#CCO 009074 [0,1,0,0,0,0|1,0,2]=4 317 B5R0.2 OCCCCBr 036997 [0,1,0,0,0,0|1,0,0]=2 318 B5R0.2 OCCCCCl 097634 [0,1,0,0,0,0|1,0,0]=2 319 B5R0.2 OC\C=C/CO 095819 [0,1,0,0,0,0|1,0,2]=4 320 B5R0.2 OC\C=C/CO 098937 [0,1,0,0,0,0|1,0,2]=4 321 B5R0.2 S=C=NCCCl 002532 [0,1,0,0,0,0|2,0,1]=4 322 B5R0.2 SCCCCS 102622 [0,1,0,0,0,0|1,0,0]=2 323 B5R0.2 [C-]#[N+]CCCC 021027 [0,1,0,0,0,0|0,0,1]=2 324 B5R0.2 [N-]=[N+]=NCCO 062213 [0,1,0,0,0,0|2,0,1]=4 325 B5R0.3 BrCC(Br)CBr 001242 [0,1,0,0,0,0|2,0,0]=3 326 B5R0.3 C#CC(O)CC 164300 [0,1,0,0,0,0|1,0,1]=3 327 B5R0.3 C=C(CCl)CCl 386371 [0,1,0,0,0,0|2,0,1]=4 328 B5R0.3 C=C(CO)CO 079496 [0,1,0,0,0,0|2,0,1]=4 329 B5R0.3 C=CC(O)CC 464567 [0,1,0,0,0,0|1,0,1]=3 330 B5R0.3 C=CC(O)CO 099464 [0,1,0,0,0,0|1,0,2]=4 331 B5R0.3 CC(CBr)CBr 229847 [0,1,0,0,0,0|2,0,0]=3 332 B5R0.3 CC(CCl)CBr 239837 [0,1,0,0,0,0|2,0,0]=3 333 B5R0.3 CC(CO)CO 242900 [0,1,0,0,0,0|2,0,0]=3 334 B5R0.3 CCC(=O)CBr 002514 [0,1,0,0,0,0|1,0,1]=3 335 B5R0.3 CCC(=O)CC 094591 [0,1,0,0,0,0|1,0,1]=3 336 B5R0.3 CCC(=O)NC 103047 [0,1,0,0,0,0|2,0,1]=4 337 B5R0.3 CCC(=O)NN 026652 [0,1,0,0,0,0|1,0,1]=3 338 B5R0.3 CCC(Br)CC 358240 [0,1,0,0,0,0|1,0,0]=2 339 B5R0.3 CCC(C)C=O 103622 [0,1,0,0,0,0|1,0,1]=3 340 B5R0.3 CCC(C)CC 098988 [0,1,0,0,0,0|1,0,0]=2 341 B5R0.3 CCC(C)CN 013636 [0,1,0,0,0,0|0,0,0]=1 342 B5R0.3 CCC(C)CO 358145 [0,1,0,0,0,0|1,0,0]=2 343 B5R0.3 CCC(C)NN 046283 [0,1,0,0,0,0|1,0,0]=2 344 B5R0.3 CCC(N)CC 094499 [0,1,0,0,0,0|1,0,0]=2 345 B5R0.3 CCC(N)CO 091481 [0,1,0,0,0,0|1,0,0]=2 346 B5R0.3 CCC(O)C#N 103338 [0,1,0,0,0,0|0,0,2]=3 347 B5R0.3 CCC(O)CC 358049 [0,1,0,0,0,0|1,0,0]=2 348 B5R0.3 CCC(O)CN 002496 [0,1,0,0,0,0|0,0,0]=1 349 B5R0.3 CCN(C)CC 493739 [0,1,0,0,0,0|2,0,0]=3 350 B5R0.3 CCN(O)CC 105777 [0,1,0,0,0,0|2,0,0]=3 351 B5R0.3 CCN(O)CC 129600 [0,1,0,0,0,0|2,0,0]=3 352 B5R0.3 CCS(=O)CC 094782 [0,1,0,0,0,0|2,0,0]=3 353 B5R0.3 CC[C@@H](N)CO 012703 [0,1,0,0,0,0|1,0,0]=2 354 B5R0.3 CC[C@H](C)CO 473128 [0,1,0,0,0,0|1,0,0]=2 355 B5R0.3 CC[C@H](N)CO 012704 [0,1,0,0,0,0|1,0,0]=2 356 B5R0.3 CC\C(C)=N\O 099127 [0,1,0,0,0,0|2,0,1]=4 357 B5R0.3 CNC(=O)CBr 043828 [0,1,0,0,0,0|2,0,1]=4 358 B5R0.3 CNC(=O)CCl 094091 [0,1,0,0,0,0|2,0,1]=4 359 B5R0.3 CNC(=O)CN 075035 [0,1,0,0,0,0|1,0,1]=3 360 B5R0.3 CNC(=S)NN 018882 [0,1,0,0,0,0|2,0,1]=4 361 B5R0.3 COC(=O)CBr 006774 [0,1,0,0,0,0|2,0,1]=4 362 B5R0.3 COC(=O)CCl 095344 [0,1,0,0,0,0|2,0,1]=4 363 B5R0.3 COC(=O)CI 103193 [0,1,0,0,0,0|2,0,1]=4 364 B5R0.3 COC(=O)CN M03021 [0,1,0,0,0,0|1,0,1]=3 365 B5R0.3 COC(=O)CO 227696 [0,1,0,0,0,0|2,0,1]=4 366 B5R0.3 COC(=O)CS 011917 [0,1,0,0,0,0|2,0,1]=4 367 B5R0.3 COC(=O)NN 094656 [0,1,0,0,0,0|2,0,1]=4 368 B5R0.3 COC(C)OC 104486 [0,1,0,0,0,0|3,0,0]=4 369 B5R0.3 ClCC(Cl)CCl 099132 [0,1,0,0,0,0|2,0,0]=3 370 B5R0.3 NC(CO)CO 043594 [0,1,0,0,0,0|2,0,0]=3 371 B5R0.3 NCC(=O)CN 245676 [0,1,0,0,0,0|1,0,1]=3 372 B5R0.3 NCC(O)CN 013503 [0,1,0,0,0,0|1,0,0]=2 373 B5R0.3 NCC(O)CO 093744 [0,1,0,0,0,0|1,0,0]=2 374 B5R0.3 NC[C@@H](O)CO 036807 [0,1,0,0,0,0|1,0,0]=2 375 B5R0.3 NC[C@H](O)CCl 320853 [0,1,0,0,0,0|1,0,0]=2 376 B5R0.3 NNC(=O)CO 069267 [0,1,0,0,0,0|2,0,1]=4 377 B5R0.3 O=C(CCl)CCl 469912 [0,1,0,0,0,0|2,0,1]=4 378 B5R0.3 O=C(CO)CO 093516 [0,1,0,0,0,0|2,0,1]=4 379 B5R0.3 OC(CBr)CBr 242654 [0,1,0,0,0,0|2,0,0]=3 380 B5R0.3 OC(CCl)CCl 214775 [0,1,0,0,0,0|2,0,0]=3 381 B5R0.3 OCC(O)CCl 242924 [0,1,0,0,0,0|2,0,0]=3 382 B5R0.3 OCC(O)CO 094580 [0,1,0,0,0,0|2,0,0]=3 383 B5R0.3 OCC(O)CO 102072 [0,1,0,0,0,0|2,0,0]=3 384 B5R0.3 OCC(O)CO 104202 [0,1,0,0,0,0|2,0,0]=3 385 B5R0.3 OCC(O)CS 104512 [0,1,0,0,0,0|2,0,0]=3 386 B5R0.3 OC[C@@H](O)CCl 079187 [0,1,0,0,0,0|2,0,0]=3 387 B5R1.1 C1=CCCC1 520876 [0,0,0,1,0,0|1,0,1]=3 388 B5R1.1 C1=CCNC1 013932 [0,0,0,1,0,0|0,0,2]=3 389 B5R1.1 C1=COCC1 051266 [0,0,0,1,0,0|1,0,2]=4 390 B5R1.1 C1CCNC1 080281 [0,0,0,1,0,0|0,0,0]=1 391 B5R1.1 C1CCOC1 035914 [0,0,0,1,0,0|1,0,0]=2 392 B5R1.1 C1CCOC1 044988 [0,0,0,1,0,0|1,0,0]=2 393 B5R1.1 C1CCOC1 046883 [0,0,0,1,0,0|1,0,0]=2 394 B5R1.1 C1CCOC1 099898 [0,0,0,1,0,0|1,0,0]=2 395 B5R1.1 C1CCOC1 102161 [0,0,0,1,0,0|1,0,0]=2 396 B5R1.1 C1CCOC1 103783 [0,0,0,1,0,0|1,0,0]=2 397 B5R1.1 C1CCOC1 104382 [0,0,0,1,0,0|1,0,0]=2 398 B5R1.1 C1CCOC1 105576 [0,0,0,1,0,0|1,0,0]=2 399 B5R1.1 C1CCOC1 105743 [0,0,0,1,0,0|1,0,0]=2 400 B5R1.1 C1CCSC1 019455 [0,0,0,1,0,0|1,0,0]=2 401 B5R1.1 C1COCO1 098850 [0,0,0,1,0,0|2,0,0]=3 402 B5R1.1 C1CSCN1 243195 [0,0,0,1,0,0|1,0,0]=2 403 B5R1.2 BrC1COC1 107040 [0,0,0,1,0,0|2,0,0]=3 404 B5R1.2 BrC1COC1 223475 [0,0,0,1,0,0|2,0,0]=3 405 B5R1.2 IC1COC1 242158 [0,0,0,1,0,0|2,0,0]=3 406 B5R1.2 NC1CCC1 003370 [0,0,0,1,0,0|0,0,0]=1 407 B5R1.2 NC1COC1 320095 [0,0,0,1,0,0|1,0,0]=2 408 B5R1.2 O=C1CCC1 033237 [0,0,0,1,0,0|1,0,1]=3 409 B5R1.2 O=C1CCO1 167800 [0,0,0,1,0,0|2,0,1]=4 410 B5R1.2 O=C1COC1 044814 [0,0,0,1,0,0|2,0,1]=4 411 B5R1.2 OC1CCC1 003407 [0,0,0,1,0,0|1,0,0]=2 412 B5R1.2 OC1CNC1 013898 [0,0,0,1,0,0|2,0,0]=3 413 B5R1.2 OC1COC1 069085 [0,0,0,1,0,0|2,0,0]=3 414 B5R1.3 BrCC1CC1 003713 [0,0,0,1,0,0|1,0,0]=2 415 B5R1.3 BrCC1CO1 BR1167 [0,0,0,1,0,0|2,0,0]=3 416 B5R1.3 C#CC1CC1 358398 [0,0,0,1,0,0|1,0,1]=3 417 B5R1.3 CCC1CO1 046729 [0,0,0,1,0,0|1,0,0]=2 418 B5R1.3 ClCC1CC1 049157 [0,0,0,1,0,0|1,0,0]=2 419 B5R1.3 ClCC1CO1 095340 [0,0,0,1,0,0|2,0,0]=3 420 B5R1.3 ClC[C@@H]1CO1 023907 [0,0,0,1,0,0|2,0,0]=3 421 B5R1.3 ClC[C@H]1CO1 023906 [0,0,0,1,0,0|2,0,0]=3 422 B5R1.3 ICC1CC1 062968 [0,0,0,1,0,0|1,0,0]=2 423 B5R1.3 N#CC1CC1 005110 [0,0,0,1,0,0|0,0,2]=3 424 B5R1.3 NCC1CC1 044419 [0,0,0,1,0,0|0,0,0]=1 425 B5R1.3 NCC1CC1 329340 [0,0,0,1,0,0|0,0,0]=1 426 B5R1.3 O=CC1CC1 065337 [0,0,0,1,0,0|1,0,1]=3 427 B5R1.3 OCC1CC1 003372 [0,0,0,1,0,0|1,0,0]=2 428 B5R1.3 OCC1CO1 349304 [0,0,0,1,0,0|2,0,0]=3 429 B5R1.3 OC[C@@H]1CO1 208588 [0,0,0,1,0,0|2,0,0]=3 430 B5R1.3 OC[C@H]1CO1 091841 [0,0,0,1,0,0|2,0,0]=3 431 B2R0.1 BrCBr 098925 [2,0,0,0,0,0|2,0,0]=4 432 B2R0.1 CC#N 035906 [2,0,0,0,0,0|0,0,2]=4 433 B2R0.1 CC#N 046131 [2,0,0,0,0,0|0,0,2]=4 434 B2R0.1 CC#N 099891 [2,0,0,0,0,0|0,0,2]=4 435 B2R0.1 CC#N 102928 [2,0,0,0,0,0|0,0,2]=4 436 B2R0.1 CC#N 105527 [2,0,0,0,0,0|0,0,2]=4 437 B2R0.1 CC#N 995231 [2,0,0,0,0,0|0,0,2]=4 438 B2R0.1 CCBr 099072 [2,0,0,0,0,0|1,0,0]=3 439 B2R0.1 CCI 043865 [2,0,0,0,0,0|1,0,0]=3 440 B2R0.1 CCO 098441 [2,0,0,0,0,0|1,0,0]=3 441 B2R0.1 CCS 094484 [2,0,0,0,0,0|1,0,0]=3 442 B2R0.1 CC[Mg+] 102036 [2,0,0,0,0,0|1,0,0]=3 443 B2R0.1 CC[O-] 098858 [2,0,0,0,0,0|1,0,0]=3 444 B2R0.1 CC[O-] 099616 [2,0,0,0,0,0|1,0,0]=3 445 B2R0.1 CC[O-] 101878 [2,0,0,0,0,0|1,0,0]=3 446 B2R0.1 CC[O-] 103437 [2,0,0,0,0,0|1,0,0]=3 447 B2R0.1 CC[S-] 513565 [2,0,0,0,0,0|1,0,0]=3 448 B2R0.1 CNC 005043 [2,0,0,0,0,0|1,0,0]=3 449 B2R0.1 CNC 043439 [2,0,0,0,0,0|1,0,0]=3 450 B2R0.1 CNC 044754 [2,0,0,0,0,0|1,0,0]=3 451 B2R0.1 CNC 051280 [2,0,0,0,0,0|1,0,0]=3 452 B2R0.1 CNC 094464 [2,0,0,0,0,0|1,0,0]=3 453 B2R0.1 CNC 099111 [2,0,0,0,0,0|1,0,0]=3 454 B2R0.1 CNC 102391 [2,0,0,0,0,0|1,0,0]=3 455 B2R0.1 CNN 098853 [2,0,0,0,0,0|1,0,0]=3 456 B2R0.1 CNO 216314 [2,0,0,0,0,0|2,0,0]=4 457 B2R0.1 COC 106294 [2,0,0,0,0,0|1,0,0]=3 458 B2R0.1 CON 078603 [2,0,0,0,0,0|1,0,0]=3 459 B2R0.1 CON 102867 [2,0,0,0,0,0|1,0,0]=3 460 B2R0.1 CON 103750 [2,0,0,0,0,0|1,0,0]=3 461 B2R0.1 CSC 043438 [2,0,0,0,0,0|1,0,0]=3 462 B2R0.1 CSC 094888 [2,0,0,0,0,0|1,0,0]=3 463 B2R0.1 CSC 097632 [2,0,0,0,0,0|1,0,0]=3 464 B2R0.1 C[Mg]Br 102010 [2,0,0,0,0,0|2,0,0]=4 465 B2R0.1 C[Mg]Cl 051152 [2,0,0,0,0,0|2,0,0]=4 466 B2R0.1 ClCCl 035912 [2,0,0,0,0,0|2,0,0]=4 467 B2R0.1 ClCCl 044694 [2,0,0,0,0,0|2,0,0]=4 468 B2R0.1 ClCCl 099900 [2,0,0,0,0,0|2,0,0]=4 469 B2R0.1 ClCI 067664 [2,0,0,0,0,0|2,0,0]=4 470 B2R0.1 ICI 043330 [2,0,0,0,0,0|2,0,0]=4 471 B2R0.1 N#CN 094456 [2,0,0,0,0,0|1,0,1]=4 472 B2R0.1 N=CN 091852 [2,0,0,0,0,0|1,0,1]=4 473 B2R0.1 NC=O 099032 [2,0,0,0,0,0|1,0,1]=4 474 B2R0.1 NC=O 099410 [2,0,0,0,0,0|1,0,1]=4 475 B2R0.1 [2H]OC 105206 [2,0,0,0,0,0|2,0,0]=4 476 B4R0.1 C#CC(C)C 155700 [1,1,0,0,0,0|0,0,2]=4 477 B4R0.1 C#CC(C)O 117510 [1,1,0,0,0,0|0,0,2]=4 478 B4R0.1 C#C[C@@H](C)O 093946 [1,1,0,0,0,0|0,0,2]=4 479 B4R0.1 C#C[C@H](C)O 103262 [1,1,0,0,0,0|0,0,2]=4 480 B4R0.1 C=C(C)CBr 067665 [1,1,0,0,0,0|1,0,1]=4 481 B4R0.1 C=C(C)CCl 094695 [1,1,0,0,0,0|1,0,1]=4 482 B4R0.1 C=C(C)CO 358232 [1,1,0,0,0,0|1,0,1]=4 483 B4R0.1 C=C(C)CS 038481 [1,1,0,0,0,0|1,0,1]=4 484 B4R0.1 C=C(C)OC 032479 [1,1,0,0,0,0|1,0,1]=4 485 B4R0.1 C=CC(C)Cl 099655 [1,1,0,0,0,0|0,0,2]=4 486 B4R0.1 C=CC(C)O 099331 [1,1,0,0,0,0|0,0,2]=4 487 B4R0.1 CC(=O)CCl 099980 [1,1,0,0,0,0|1,0,1]=4 488 B4R0.1 CC(=O)CN 078537 [1,1,0,0,0,0|0,0,1]=3 489 B4R0.1 CC(=O)CO 097598 [1,1,0,0,0,0|1,0,1]=4 490 B4R0.1 CC(=O)NN 049751 [1,1,0,0,0,0|1,0,1]=4 491 B4R0.1 CC(Br)C#N 242476 [1,1,0,0,0,0|0,0,2]=4 492 B4R0.1 CC(C)C#N 095064 [1,1,0,0,0,0|0,0,2]=4 493 B4R0.1 CC(C)C=O 094969 [1,1,0,0,0,0|1,0,1]=4 494 B4R0.1 CC(C)C=O 102748 [1,1,0,0,0,0|1,0,1]=4 495 B4R0.1 CC(C)CBr 097876 [1,1,0,0,0,0|1,0,0]=3 496 B4R0.1 CC(C)CI 005441 [1,1,0,0,0,0|1,0,0]=3 497 B4R0.1 CC(C)CN 094648 [1,1,0,0,0,0|0,0,0]=2 498 B4R0.1 CC(C)CO 098794 [1,1,0,0,0,0|1,0,0]=3 499 B4R0.1 CC(C)CS 097785 [1,1,0,0,0,0|1,0,0]=3 500 B4R0.1 CC(C)NN 023478 [1,1,0,0,0,0|1,0,0]=3 501 B4R0.1 CC(C)NO 049798 [1,1,0,0,0,0|2,0,0]=4 502 B4R0.1 CC(C)ON 049806 [1,1,0,0,0,0|1,0,0]=3 503 B4R0.1 CC(C)[Mg]Br 102695 [1,1,0,0,0,0|2,0,0]=4 504 B4R0.1 CC(C)[Mg]Cl 044829 [1,1,0,0,0,0|2,0,0]=4 505 B4R0.1 CC(C)[Mg]Cl 044854 [1,1,0,0,0,0|2,0,0]=4 506 B4R0.1 CC(Cl)C#N 076018 [1,1,0,0,0,0|0,0,2]=4 507 B4R0.1 CC(Cl)CCl 094620 [1,1,0,0,0,0|1,0,0]=3 508 B4R0.1 CC(N)CN 094789 [1,1,0,0,0,0|0,0,0]=2 509 B4R0.1 CC(N)CO 092185 [1,1,0,0,0,0|1,0,0]=3 510 B4R0.1 CC(O)CBr 001137 [1,1,0,0,0,0|1,0,0]=3 511 B4R0.1 CC(O)CN 099022 [1,1,0,0,0,0|0,0,0]=2 512 B4R0.1 CC(O)CO 492646 [1,1,0,0,0,0|1,0,0]=3 513 B4R0.1 CC=C(C)C 102641 [1,1,0,0,0,0|0,0,2]=4 514 B4R0.1 CCB(O)O 065613 [1,1,0,0,0,0|2,0,0]=4 515 B4R0.1 CCC(=O)Br BR1194 [1,1,0,0,0,0|1,0,1]=4 516 B4R0.1 CCC(=O)Cl 098881 [1,1,0,0,0,0|1,0,1]=4 517 B4R0.1 CCC(=O)O 098214 [1,1,0,0,0,0|1,0,1]=4 518 B4R0.1 CCC(=O)O 104856 [1,1,0,0,0,0|1,0,1]=4 519 B4R0.1 CCC(=O)[O-] 105990 [1,1,0,0,0,0|1,0,1]=4 520 B4R0.1 CCC(=O)[O-] 106505 [1,1,0,0,0,0|1,0,1]=4 521 B4R0.1 CCC(C)=O 046806 [1,1,0,0,0,0|0,0,1]=3 522 B4R0.1 CCC(C)=O 075238 [1,1,0,0,0,0|0,0,1]=3 523 B4R0.1 CCC(C)=O 101973 [1,1,0,0,0,0|0,0,1]=3 524 B4R0.1 CCC(C)=O 102570 [1,1,0,0,0,0|0,0,1]=3 525 B4R0.1 CCC(C)Br 110100 [1,1,0,0,0,0|0,0,0]=2 526 B4R0.1 CCC(C)C 105976 [1,1,0,0,0,0|0,0,0]=2 527 B4R0.1 CCC(C)I 099306 [1,1,0,0,0,0|0,0,0]=2 528 B4R0.1 CCC(C)N 094534 [1,1,0,0,0,0|0,0,0]=2 529 B4R0.1 CCC(C)O 080268 [1,1,0,0,0,0|0,0,0]=2 530 B4R0.1 CCC(C)S 098013 [1,1,0,0,0,0|0,0,0]=2 531 B4R0.1 CCC(N)=O 069325 [1,1,0,0,0,0|0,0,1]=3 532 B4R0.1 CCN(C)C 099918 [1,1,0,0,0,0|1,0,0]=3 533 B4R0.1 CCS(=O)[O-] 035597 [1,1,0,0,0,0|2,0,0]=4 534 B4R0.1 CC[C@H](C)O 036066 [1,1,0,0,0,0|0,0,0]=2 535 B4R0.1 CNC(C)=O 154700 [1,1,0,0,0,0|1,0,1]=4 536 B4R0.1 CNC(C)C 094496 [1,1,0,0,0,0|1,0,0]=3 537 B4R0.1 CNC(N)=O 227727 [1,1,0,0,0,0|1,0,1]=4 538 B4R0.1 CNC(N)=S 018883 [1,1,0,0,0,0|1,0,1]=4 539 B4R0.1 CNN(C)C 040144 [1,1,0,0,0,0|2,0,0]=4 540 B4R0.1 COC(=N)N 242831 [1,1,0,0,0,0|1,0,1]=4 541 B4R0.1 COC(=N)N 449588 [1,1,0,0,0,0|1,0,1]=4 542 B4R0.1 COC(C)=O 098761 [1,1,0,0,0,0|1,0,1]=4 543 B4R0.1 COC(Cl)Cl 239032 [1,1,0,0,0,0|2,0,0]=4 544 B4R0.1 COC(N)=O 080112 [1,1,0,0,0,0|1,0,1]=4 545 B4R0.1 COC(N)=[NH2+] 079024 [1,1,0,0,0,0|1,0,1]=4 546 B4R0.1 CO[SiH](C)C S07285 [1,1,0,0,0,0|1,1,0]=4 547 B4R0.1 CSC(=N)N 221462 [1,1,0,0,0,0|1,0,1]=4 548 B4R0.1 C[C@@H](N)CO M03439 [1,1,0,0,0,0|1,0,0]=3 549 B4R0.1 C[C@@H](O)CN 234011 [1,1,0,0,0,0|0,0,0]=2 550 B4R0.1 C[C@@H](O)CO 166900 [1,1,0,0,0,0|1,0,0]=3 551 B4R0.1 C[C@H](N)CO M03438 [1,1,0,0,0,0|1,0,0]=3 552 B4R0.1 C[C@H](O)CN 079460 [1,1,0,0,0,0|0,0,0]=2 553 B4R0.1 C[C@H](O)CO 049743 [1,1,0,0,0,0|1,0,0]=3 554 B4R0.1 ClCC(Cl)Cl 520890 [1,1,0,0,0,0|2,0,0]=4 555 B4R0.1 FC(F)CI 034707 [1,1,0,0,0,0|2,0,0]=4 556 B4R0.1 N=C(N)CCl 018354 [1,1,0,0,0,0|1,0,1]=4 557 B4R0.1 NC(=O)CBr 091505 [1,1,0,0,0,0|1,0,1]=4 558 B4R0.1 NC(=O)CCl 079297 [1,1,0,0,0,0|1,0,1]=4 559 B4R0.1 NC(=O)CI 001085 [1,1,0,0,0,0|1,0,1]=4 560 B4R0.1 NC(=O)CS 069297 [1,1,0,0,0,0|1,0,1]=4 561 B4R0.1 NCC(=O)O 105741 [1,1,0,0,0,0|1,0,1]=4 562 B4R0.1 NCC(=O)O 229198 [1,1,0,0,0,0|1,0,1]=4 563 B4R0.1 NCC(=O)O M03001 [1,1,0,0,0,0|1,0,1]=4 564 B4R0.1 NCC(=O)[O-] 240909 [1,1,0,0,0,0|1,0,1]=4 565 B4R0.1 NCC(F)F 010670 [1,1,0,0,0,0|1,0,0]=3 566 B4R0.1 NCC(N)=O 078516 [1,1,0,0,0,0|1,0,1]=4 567 B4R0.1 OCC(F)F 001565 [1,1,0,0,0,0|2,0,0]=4 568 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.1 C(=O)CC(C)SC 002806 [0,2,0,0,0,0|1,0,1]=4 570 B6R0.1 C=CC(O)CCC 241561 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.1 CCC(C)N=C=O 365573 [0,2,0,0,0,0|1,0,1]=4 572 B6R0.1 CCC(C)N=C=S 008753 [0,2,0,0,0,0|1,0,1]=4 573 B6R0.1 CCC(C)SC#N 024156 [0,2,0,0,0,0|0,0,2]=4 574 B6R0.1 CCC(N)CCN 479098 [0,2,0,0,0,0|0,0,0]=2 575 B6R0.1 CCC(N)COC 046850 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.1 CCC(O)COC 375173 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.1 CCCC(=O)NN 018345 [0,2,0,0,0,0|0,0,1]=3 578 B6R0.1 CCCC(=O)OC 358407 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.1 CCCC(C)C=O 520881 [0,2,0,0,0,0|1,0,0]=3 580 B6R0.1 CCCC(O)CO 242929 [0,2,0,0,0,0|1,0,0]=3 581 B6R0.1 CCNC(=O)CCl 069838 [0,2,0,0,0,0|1,0,1]=4 582 B6R0.1 CCNC(=O)CN 075036 [0,2,0,0,0,0|0,0,1]=3 583 B6R0.1 CCOC(=O)CBr 006091 [0,2,0,0,0,0|1,0,1]=4 584 B6R0.1 CCOC(=O)CC 094652 [0,2,0,0,0,0|1,0,1]=4 585 B6R0.1 CCOC(=O)CCl 097784 [0,2,0,0,0,0|1,0,1]=4 586 B6R0.1 CCOC(=O)CF 019465 [0,2,0,0,0,0|1,0,1]=4 587 B6R0.1 CCOC(=O)CI 324768 [0,2,0,0,0,0|1,0,1]=4 588 B6R0.1 CCOC(=O)CN 094472 [0,2,0,0,0,0|0,0,1]=3 589 B6R0.1 CCOC(=O)CO 227697 [0,2,0,0,0,0|1,0,1]=4 590 B6R0.1 CCOC(=O)CS 099611 [0,2,0,0,0,0|1,0,1]=4 591 B6R0.1 CCOC(=O)NN 208618 [0,2,0,0,0,0|1,0,1]=4 592 B6R0.1 CC[C@@H](N)CC#N 012701 [0,2,0,0,0,0|0,0,1]=3 593 B6R0.1 CC[C@H](N)CC#N 012702 [0,2,0,0,0,0|0,0,1]=3 594 B6R0.1 CNC(=O)CCBr 104783 [0,2,0,0,0,0|1,0,1]=4 595 B6R0.1 CNCC(=O)OC M03234 [0,2,0,0,0,0|1,0,1]=4 596 B6R0.1 CNCC(O)CO 208621 [0,2,0,0,0,0|1,0,0]=3 597 B6R0.1 COC(=O)CCBr 216315 [0,2,0,0,0,0|1,0,1]=4 598 B6R0.1 COC(=O)CCI 103108 [0,2,0,0,0,0|1,0,1]=4 599 B6R0.1 COC(=O)CCN 032703 [0,2,0,0,0,0|0,0,1]=3 600 B6R0.1 COC(=O)CCO 223297 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.1 COC(=O)CCS 053164 [0,2,0,0,0,0|1,0,1]=4 602 B6R0.1 COCC(=O)NN 005975 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.1 C[C@@H](CO)CCN 103282 [0,2,0,0,0,0|0,0,0]=2 604 B6R0.1 N#CC[C@H](O)CCl 092339 [0,2,0,0,0,0|0,0,2]=4 605 B6R0.1 OC(CBr)CCBr BR1637 [0,2,0,0,0,0|1,0,0]=3 606 B6R0.2 CC(=O)CC(C)C 044985 [0,2,0,0,0,0|1,0,1]=4 607 B6R0.2 CC(=O)CC(C)C 102383 [0,2,0,0,0,0|1,0,1]=4 608 B6R0.2 CC(=O)CC(N)=O 444419 [0,2,0,0,0,0|0,0,2]=4 609 B6R0.2 CC(C)CB(O)O 045297 [0,2,0,0,0,0|2,0,0]=4 610 B6R0.2 CC(C)CC(=O)Cl 520885 [0,2,0,0,0,0|1,0,1]=4 611 B6R0.2 CC(C)CC(=O)O 242835 [0,2,0,0,0,0|1,0,1]=4 612 B6R0.2 CC(C)CC(C)N 214337 [0,2,0,0,0,0|0,0,0]=2 613 B6R0.2 CC(C)CC(C)O 242810 [0,2,0,0,0,0|1,0,0]=3 614 B6R0.2 CC(C)CC(N)=O 342138 [0,2,0,0,0,0|0,0,1]=3 615 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,2,0,0,0,0|2,0,0]=4 616 B6R0.2 CC(C)NC(C)C 005001 [0,2,0,0,0,0|2,0,0]=4 617 B6R0.2 CC(C)NC(C)C 995001 [0,2,0,0,0,0|2,0,0]=4 618 B6R0.2 CC(C)NC(N)=O 101565 [0,2,0,0,0,0|1,0,1]=4 619 B6R0.2 CC(C)NC(N)=S 018760 [0,2,0,0,0,0|1,0,1]=4 620 B6R0.2 CC(C)SC(C)C 105009 [0,2,0,0,0,0|2,0,0]=4 621 B6R0.2 CC(Cl)CN(C)C 434039 [0,2,0,0,0,0|2,0,0]=4 622 B6R0.2 CC(N)CC(=O)O 208617 [0,2,0,0,0,0|1,0,1]=4 623 B6R0.2 CC(O)CN(C)C 092070 [0,2,0,0,0,0|2,0,0]=4 624 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,2,0,0,0,0|1,0,1]=4 625 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,2,0,0,0,0|1,0,1]=4 626 B6R0.3 C#CC(O)C(C)C 104538 [0,2,0,0,0,0|1,0,1]=4 627 B6R0.3 CC(C)C(=O)CBr 079016 [0,2,0,0,0,0|1,0,1]=4 628 B6R0.3 CC(C)C(=O)NN 019317 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.3 CC(C)C(N)CO 323960 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.3 CC(C)[C@H](N)CO M03447 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.3 CC(CN)C(=O)O 226386 [0,2,0,0,0,0|1,0,1]=4 633 B6R0.3 CCC(=O)C(C)C 386812 [0,2,0,0,0,0|1,0,1]=4 634 B6R0.3 CCC(Br)C(=O)Br 241269 [0,2,0,0,0,0|1,0,1]=4 635 B6R0.3 CCC(Br)C(=O)O 242857 [0,2,0,0,0,0|1,0,1]=4 636 B6R0.3 CCC(C)B(O)O 208610 [0,2,0,0,0,0|2,0,0]=4 637 B6R0.3 CCC(C)C(=O)Cl 102938 [0,2,0,0,0,0|1,0,1]=4 638 B6R0.3 CCC(C)C(=O)O 155900 [0,2,0,0,0,0|1,0,1]=4 639 B6R0.3 CCC(C)C(C)O 103328 [0,2,0,0,0,0|1,0,0]=3 640 B6R0.3 CCC(C)C(N)=O 102996 [0,2,0,0,0,0|0,0,1]=3 641 B6R0.3 CCC(N)C(=O)O M01290 [0,2,0,0,0,0|1,0,1]=4 642 B6R0.3 CCC(O)C(C)C 240664 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,2,0,0,0,0|1,0,1]=4 644 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,2,0,0,0,0|1,0,1]=4 645 B6R0.3 CN(C)C(=O)CN 463150 [0,2,0,0,0,0|1,0,1]=4 646 B6R0.3 COC(=O)C(C)N 003683 [0,2,0,0,0,0|1,0,1]=4 647 B6R0.3 COC(=O)C(C)N 003684 [0,2,0,0,0,0|1,0,1]=4 648 B6R0.3 COC(=O)[C@@H](C)N 005452 [0,2,0,0,0,0|1,0,1]=4 649 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,2,0,0,0,0|1,0,1]=4 650 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,2,0,0,0,0|1,0,1]=4 652 B6R0.4 C=C(C)CNCC 098963 [0,2,0,0,0,0|1,0,1]=4 653 B6R0.4 C=CCCC(C)=O 358446 [0,2,0,0,0,0|1,0,1]=4 654 B6R0.4 C=COCC(C)C 103137 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.4 CC(=O)CCCCl 326218 [0,2,0,0,0,0|1,0,0]=3 656 B6R0.4 CC(=O)CCCO 093373 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.4 CC(=O)NCCN 226270 [0,2,0,0,0,0|0,0,1]=3 658 B6R0.4 CC(=O)NCCO 094790 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.4 CC(=O)NCCS 106473 [0,2,0,0,0,0|1,0,1]=4 660 B6R0.4 CC(=O)OCCBr 024963 [0,2,0,0,0,0|1,0,1]=4 661 B6R0.4 CC(=O)OCCO 046708 [0,2,0,0,0,0|1,0,1]=4 662 B6R0.4 CC(Br)CCCBr 001096 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.4 CC(C)CN=C=O 044447 [0,2,0,0,0,0|1,0,1]=4 664 B6R0.4 CC(C)CN=C=S 008985 [0,2,0,0,0,0|1,0,1]=4 665 B6R0.4 CC(C)CON=O 099090 [0,2,0,0,0,0|1,0,1]=4 666 B6R0.4 CC(C)NCCO 069257 [0,2,0,0,0,0|1,0,0]=3 667 B6R0.4 CC(C)OCCO 150900 [0,2,0,0,0,0|1,0,0]=3 668 B6R0.4 CC(O)CCCO 386330 [0,2,0,0,0,0|1,0,0]=3 669 B6R0.4 CCC#CC(C)O 105445 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.4 CCCCB(O)O 010773 [0,2,0,0,0,0|1,0,0]=3 671 B6R0.4 CCCCC(=O)Cl 099590 [0,2,0,0,0,0|1,0,0]=3 672 B6R0.4 CCCCC(=O)O 066625 [0,2,0,0,0,0|1,0,0]=3 673 B6R0.4 CCCCC(C)=O 098350 [0,2,0,0,0,0|1,0,0]=3 674 B6R0.4 CCCCC(C)N 214315 [0,2,0,0,0,0|0,0,0]=2 675 B6R0.4 CCCCC(N)=O 176500 [0,2,0,0,0,0|0,0,0]=2 676 B6R0.4 CCCCN(C)C 115800 [0,2,0,0,0,0|0,0,0]=2 677 B6R0.4 CCCC[C@@H](C)O 036116 [0,2,0,0,0,0|1,0,0]=3 678 B6R0.4 CCCNC(C)=O 099232 [0,2,0,0,0,0|1,0,1]=4 679 B6R0.4 CCCNC(N)=S 018984 [0,2,0,0,0,0|0,0,1]=3 680 B6R0.4 CCCOC(C)=O 104128 [0,2,0,0,0,0|1,0,1]=4 681 B6R0.4 CCOCC(=O)O 461062 [0,2,0,0,0,0|1,0,1]=4 682 B6R0.4 CCSCC(=O)O 001760 [0,2,0,0,0,0|1,0,1]=4 683 B6R0.4 CN(C)CCC#N 044322 [0,2,0,0,0,0|0,0,2]=4 684 B6R0.4 CN(C)CCCBr 079586 [0,2,0,0,0,0|1,0,0]=3 685 B6R0.4 CN(C)CCCCl 240358 [0,2,0,0,0,0|1,0,0]=3 686 B6R0.4 CN(C)CCCN 094726 [0,2,0,0,0,0|0,0,0]=2 687 B6R0.4 CN(C)CCCO 242665 [0,2,0,0,0,0|1,0,0]=3 688 B6R0.4 CNCCC(C)C 321590 [0,2,0,0,0,0|0,0,0]=2 689 B6R0.4 CNCCN(C)C 236768 [0,2,0,0,0,0|1,0,0]=3 690 B6R0.4 COCCC(=O)Cl 014676 [0,2,0,0,0,0|1,0,1]=4 691 B6R0.4 COCCC(=O)O 091199 [0,2,0,0,0,0|1,0,1]=4 692 B6R0.4 COCCC(N)=O 091205 [0,2,0,0,0,0|0,0,1]=3 693 B6R0.4 CSCCC(=O)O 013666 [0,2,0,0,0,0|1,0,1]=4 694 B6R0.4 NC(=O)NCCO 319865 [0,2,0,0,0,0|1,0,1]=4 695 B6R0.4 NC(=O)OCCCl 103494 [0,2,0,0,0,0|1,0,1]=4 696 B6R0.4 NCCCC(=O)O 005047 [0,2,0,0,0,0|0,0,1]=3 697 B6R0.4 NCCNC(N)=O 033079 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.4 O=C(Cl)CCCBr 001349 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.4 O=C(Cl)CCCCl 099540 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.4 O=C(O)CCCBr 043390 [0,2,0,0,0,0|1,0,1]=4 701 B6R0.5 CC(C)(Br)CCBr 105278 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.5 CC(C)(C)CC=O 049850 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.5 CC(C)(C)CCBr 240396 [0,2,0,0,0,0|1,0,0]=3 704 B6R0.5 CC(C)(C)CCI 104243 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.5 CC(C)(C)CCO 092664 [0,2,0,0,0,0|1,0,0]=3 706 B6R0.5 CC(C)(Cl)CCCl 106056 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.5 CC(C)(O)CC#N 372096 [0,2,0,0,0,0|0,0,2]=4 708 B6R0.5 CC(C)(O)CCO 099109 [0,2,0,0,0,0|1,0,0]=3 709 B6R0.5 CCCC(C)(C)O 356177 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.5 CCCP(=O)(O)O 102644 [0,2,0,0,0,0|2,0,0]=4 711 B6R0.5 CCCS(=O)(=O)Cl 094413 [0,2,0,0,0,0|2,0,0]=4 712 B6R0.5 CNCC(C)(C)O 323417 [0,2,0,0,0,0|2,0,0]=4 713 B6R0.5 CNCC(F)(F)F 041890 [0,2,0,0,0,0|2,0,0]=4 714 B6R0.5 CNCC(F)(F)F 044280 [0,2,0,0,0,0|2,0,0]=4 715 B6R0.5 COCC(C)(C)N 044656 [0,2,0,0,0,0|1,0,0]=3 716 B6R0.5 COCC(C)(C)O 304271 [0,2,0,0,0,0|2,0,0]=4 717 B6R0.5 CS(=O)(=O)CCN 035902 [0,2,0,0,0,0|1,0,0]=3 718 B6R0.5 CS(=O)(=O)CCO 002961 [0,2,0,0,0,0|2,0,0]=4 719 B6R0.5 C[N+](C)(C)CCO 358031 [0,2,0,0,0,0|2,0,0]=4 720 B6R0.5 C[Si](C)(C)CCO S19375 [0,2,0,0,0,0|1,1,0]=4 721 B6R0.5 C[Si](C)(C)CCS S10370 [0,2,0,0,0,0|1,1,0]=4 722 B6R0.5 FC(F)(F)CCI 001547 [0,2,0,0,0,0|2,0,0]=4 723 B6R0.5 FC(F)(F)CCS 038350 [0,2,0,0,0,0|2,0,0]=4 724 B6R0.5 NCCC(F)(F)F 007712 [0,2,0,0,0,0|1,0,0]=3 725 B6R0.5 NCCC(F)(F)F 038244 [0,2,0,0,0,0|1,0,0]=3 726 B6R0.5 NCCP(=O)(O)O 240267 [0,2,0,0,0,0|2,0,0]=4 727 B6R0.5 NCCS(=O)(=O)O 094516 [0,2,0,0,0,0|2,0,0]=4 728 B6R0.5 NCCS(N)(=O)=O 044164 [0,2,0,0,0,0|2,0,0]=4 729 B6R0.5 NNCC(F)(F)F 007519 [0,2,0,0,0,0|2,0,0]=4 730 B6R0.5 OCCC(F)(F)F 001557 [0,2,0,0,0,0|2,0,0]=4 731 B6R0.6 BrCCCCCBr 001044 [0,2,0,0,0,0|1,0,0]=3 732 B6R0.6 BrCCOCCBr 005451 [0,2,0,0,0,0|1,0,0]=3 733 B6R0.6 C#CCCCC#C 009258 [0,2,0,0,0,0|1,0,1]=4 734 B6R0.6 C#CCCCC#N 009109 [0,2,0,0,0,0|0,0,2]=4 735 B6R0.6 C#CCCCCC 144400 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.6 C#CCCCCCl 009091 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.6 C#CCCCCO 145808 [0,2,0,0,0,0|1,0,0]=3 738 B6R0.6 C=CCCCCBr 002415 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.6 C=CCCCCBr 013446 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.6 C=CCCCCCl 024635 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.6 C=CCCCCI 103321 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.6 C=CCCCCO 078461 [0,2,0,0,0,0|1,0,0]=3 743 B6R0.6 C=CCOCCO 099544 [0,2,0,0,0,0|1,0,1]=4 744 B6R0.6 C=COCCCC 106580 [0,2,0,0,0,0|1,0,0]=3 745 B6R0.6 CCC#CCCO 145806 [0,2,0,0,0,0|1,0,0]=3 746 B6R0.6 CCCC#CCO 145805 [0,2,0,0,0,0|1,0,0]=3 747 B6R0.6 CCCCCC#N 002444 [0,2,0,0,0,0|0,0,1]=3 748 B6R0.6 CCCCCC=O 094968 [0,2,0,0,0,0|1,0,0]=3 749 B6R0.6 CCCCCCBr 098897 [0,2,0,0,0,0|1,0,0]=3 750 B6R0.6 CCCCCCC 044743 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.6 CCCCCCC 099896 [0,2,0,0,0,0|1,0,0]=3 752 B6R0.6 CCCCCCC 107019 [0,2,0,0,0,0|1,0,0]=3 753 B6R0.6 CCCCCCC 995188 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.6 CCCCCCN 094631 [0,2,0,0,0,0|0,0,0]=2 755 B6R0.6 CCCCCCO 349294 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.6 CCCCCCS 145400 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.6 CCCCCNC 056875 [0,2,0,0,0,0|0,0,0]=2 758 B6R0.6 CCCCN=C=O 102722 [0,2,0,0,0,0|0,0,1]=3 759 B6R0.6 CCCCN=C=S 008752 [0,2,0,0,0,0|0,0,1]=3 760 B6R0.6 CCCCNC=O 103559 [0,2,0,0,0,0|0,0,0]=2 761 B6R0.6 CCCCNCC 097790 [0,2,0,0,0,0|0,0,0]=2 762 B6R0.6 CCCNCCC 102049 [0,2,0,0,0,0|1,0,0]=3 763 B6R0.6 CCCNCCN 050965 [0,2,0,0,0,0|0,0,0]=2 764 B6R0.6 CCCNCCO 069279 [0,2,0,0,0,0|1,0,0]=3 765 B6R0.6 CCCOCCN 038577 [0,2,0,0,0,0|0,0,0]=2 766 B6R0.6 CCC\C=C\C=O 098868 [0,2,0,0,0,0|1,0,1]=4 767 B6R0.6 CCNCCC#N 013570 [0,2,0,0,0,0|0,0,1]=3 768 B6R0.6 CCNCCCN 544204 [0,2,0,0,0,0|0,0,0]=2 769 B6R0.6 CCNCCCO 387141 [0,2,0,0,0,0|1,0,0]=3 770 B6R0.6 CCNCCNC 024572 [0,2,0,0,0,0|0,0,0]=2 771 B6R0.6 CCOCCC#N 208601 [0,2,0,0,0,0|0,0,1]=3 772 B6R0.6 CCOCCCN 097753 [0,2,0,0,0,0|0,0,0]=2 773 B6R0.6 CCOCOCC 094651 [0,2,0,0,0,0|1,0,0]=3 774 B6R0.6 CC\C=C/CCO 240925 [0,2,0,0,0,0|1,0,0]=3 775 B6R0.6 CNCCCCO 239842 [0,2,0,0,0,0|0,0,0]=2 776 B6R0.6 CNCCCNC 236622 [0,2,0,0,0,0|0,0,0]=2 777 B6R0.6 CNCCCOC 309894 [0,2,0,0,0,0|0,0,0]=2 778 B6R0.6 COCCCCBr 079657 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.6 COCCCCO 236682 [0,2,0,0,0,0|1,0,0]=3 780 B6R0.6 COCCN=C=O 044433 [0,2,0,0,0,0|1,0,1]=4 781 B6R0.6 COCCN=C=S 009506 [0,2,0,0,0,0|1,0,1]=4 782 B6R0.6 CSCCCCO 035889 [0,2,0,0,0,0|1,0,0]=3 783 B6R0.6 C\C=C\CCCO 433438 [0,2,0,0,0,0|1,0,0]=3 784 B6R0.6 ClCCCCCBr 002448 [0,2,0,0,0,0|1,0,0]=3 785 B6R0.6 ClCCCCCCl 101915 [0,2,0,0,0,0|1,0,0]=3 786 B6R0.6 ClCCCCCI 098274 [0,2,0,0,0,0|1,0,0]=3 787 B6R0.6 ClCCNCCCl 078560 [0,2,0,0,0,0|1,0,0]=3 788 B6R0.6 ClCCOCCCl 002891 [0,2,0,0,0,0|1,0,0]=3 789 B6R0.6 FCCCCCBr 218989 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.6 ICCCCCI 239847 [0,2,0,0,0,0|1,0,0]=3 791 B6R0.6 ICCOCCI 241645 [0,2,0,0,0,0|1,0,0]=3 792 B6R0.6 N#CCCCC#N 241206 [0,2,0,0,0,0|0,0,2]=4 793 B6R0.6 N#CCCCCBr 001007 [0,2,0,0,0,0|0,0,1]=3 794 B6R0.6 N#CCCCCCl 024253 [0,2,0,0,0,0|0,0,1]=3 795 B6R0.6 NCCCCCN 208616 [0,2,0,0,0,0|0,0,0]=2 796 B6R0.6 NCCCCCO 463575 [0,2,0,0,0,0|0,0,0]=2 797 B6R0.6 NCCNCCN 098826 [0,2,0,0,0,0|0,0,0]=2 798 B6R0.6 NCCNCCO 245937 [0,2,0,0,0,0|0,0,0]=2 799 B6R0.6 NCCOCCO 336044 [0,2,0,0,0,0|0,0,0]=2 800 B6R0.6 O=C=NCCCCl 013917 [0,2,0,0,0,0|1,0,1]=4 801 B6R0.6 O=CCCCCCl 238851 [0,2,0,0,0,0|1,0,0]=3 802 B6R0.6 OCCCCCBr 079429 [0,2,0,0,0,0|1,0,0]=3 803 B6R0.6 OCCCCCCl 008844 [0,2,0,0,0,0|1,0,0]=3 804 B6R0.6 OCCCCCO 240419 [0,2,0,0,0,0|1,0,0]=3 805 B6R0.6 OCCNCCO 099502 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.6 OCCNCCO 103514 [0,2,0,0,0,0|1,0,0]=3 807 B6R0.6 OCCNCCO 234996 [0,2,0,0,0,0|1,0,0]=3 808 B6R0.6 OCCOCCCl 241221 [0,2,0,0,0,0|1,0,0]=3 809 B6R0.6 OCCOCCO 044689 [0,2,0,0,0,0|1,0,0]=3 810 B6R0.6 OCCSCCO 095104 [0,2,0,0,0,0|1,0,0]=3 811 B6R0.6 S=C=NCCCBr 008751 [0,2,0,0,0,0|1,0,1]=4 812 B6R0.6 S=C=NCCCCl 002535 [0,2,0,0,0,0|1,0,1]=4 813 B6R0.6 [N-]=[N+]=NCCCN 093907 [0,2,0,0,0,0|1,0,0]=3 814 B6R0.8 C#CC(C)(O)CC 506763 [0,2,0,0,0,0|1,0,1]=4 815 B6R0.8 CC(C)(CCl)CCl 134320 [0,2,0,0,0,0|2,0,0]=4 816 B6R0.8 CC(C)(CN)CN 240612 [0,2,0,0,0,0|1,0,0]=3 817 B6R0.8 CC(C)(CN)CO 033048 [0,2,0,0,0,0|1,0,0]=3 818 B6R0.8 CC(C)(CO)CBr 403120 [0,2,0,0,0,0|2,0,0]=4 819 B6R0.8 CC(C)(CO)CO 235831 [0,2,0,0,0,0|2,0,0]=4 820 B6R0.8 CC(N)(CO)CO 098943 [0,2,0,0,0,0|2,0,0]=4 821 B6R0.8 CNC(C)(C)CO 340517 [0,2,0,0,0,0|2,0,0]=4 822 B6R0.8 COC(C)(C)CN 043506 [0,2,0,0,0,0|1,0,0]=3 823 B6R0.9 CCC(C=O)CC 245909 [0,2,0,0,0,0|1,0,0]=3 824 B6R0.9 CCC(CC)CO 093975 [0,2,0,0,0,0|1,0,0]=3 825 B6R0.9 CCC(CC)NN 047022 [0,2,0,0,0,0|1,0,0]=3 826 B6R0.9 CCC(CN)OC 041816 [0,2,0,0,0,0|0,0,0]=2 827 B6R0.9 CCN(C#N)CC 375201 [0,2,0,0,0,0|2,0,0]=4 828 B6R0.9 CCN(C=O)CC 049814 [0,2,0,0,0,0|2,0,0]=4 829 B6R0.9 CCN(CC)CC 003029 [0,2,0,0,0,0|2,0,0]=4 830 B6R0.9 CCN(CC)CC 005055 [0,2,0,0,0,0|2,0,0]=4 831 B6R0.9 CCN(CC)CC 005055 [0,2,0,0,0,0|2,0,0]=4 832 B6R0.9 CCN(CC)CC 005055 [0,2,0,0,0,0|2,0,0]=4 833 B6R0.9 CCN(CC)CC 102572 [0,2,0,0,0,0|2,0,0]=4 834 B6R0.9 CCN(CC)CC 104858 [0,2,0,0,0,0|2,0,0]=4 835 B6R0.9 CCN(CC)CC 105729 [0,2,0,0,0,0|2,0,0]=4 836 B6R0.9 CCN(CC)CC 173850 [0,2,0,0,0,0|2,0,0]=4 837 B6R0.9 CCP(CC)CC 101862 [0,2,0,0,0,0|2,0,0]=4 838 B6R0.9 CC[SiH](CC)CC 005243 [0,2,0,0,0,0|1,1,0]=4 839 B6R0.9 COC(CBr)OC 003454 [0,2,0,0,0,0|2,0,0]=4 840 B6R0.9 COC(CCl)OC 099309 [0,2,0,0,0,0|2,0,0]=4 841 B6R0.9 COC(CN)OC 094452 [0,2,0,0,0,0|1,0,0]=3 842 B6R0.9 OCC(CO)CO 222829 [0,2,0,0,0,0|2,0,0]=4 843 B4R1.1 C1CNC1 036832 [1,0,0,1,0,0|0,0,0]=2 844 B4R1.2 BrC1CC1 003373 [1,0,0,1,0,0|1,0,0]=3 845 B4R1.2 CC1CN1 099002 [1,0,0,1,0,0|0,0,0]=2 846 B4R1.2 CC1CO1 099315 [1,0,0,1,0,0|1,0,0]=3 847 B4R1.2 C[C@@H]1CO1 044883 [1,0,0,1,0,0|1,0,0]=3 848 B4R1.2 C[C@H]1CO1 216312 [1,0,0,1,0,0|1,0,0]=3 849 B4R1.2 NC1CC1 003712 [1,0,0,1,0,0|0,0,0]=2 850 B6R1.2 BrC1CCCC1 021866 [0,1,0,1,0,0|1,0,0]=3 851 B6R1.2 BrC1CCNC1 211447 [0,1,0,1,0,0|0,0,0]=2 852 B6R1.2 CC1=CCCC1 103763 [0,1,0,1,0,0|1,0,0]=3 853 B6R1.2 CC1=NCCN1 103446 [0,1,0,1,0,0|0,0,1]=3 854 B6R1.2 CC1=NCCO1 099141 [0,1,0,1,0,0|0,0,2]=4 855 B6R1.2 CC1CCCC1 101560 [0,1,0,1,0,0|1,0,0]=3 856 B6R1.2 CC1CCCO1 094054 [0,1,0,1,0,0|1,0,0]=3 857 B6R1.2 CN1CCCC1 046845 [0,1,0,1,0,0|0,0,0]=2 858 B6R1.2 ClC1CCCC1 098808 [0,1,0,1,0,0|1,0,0]=3 859 B6R1.2 F[C@@H]1CCNC1 013156 [0,1,0,1,0,0|0,0,0]=2 860 B6R1.2 F[C@H]1CCNC1 013157 [0,1,0,1,0,0|0,0,0]=2 861 B6R1.2 IC1CCCC1 097746 [0,1,0,1,0,0|1,0,0]=3 862 B6R1.2 NC1=NCCS1 018191 [0,1,0,1,0,0|1,0,1]=4 863 B6R1.2 NC1=NCCS1 995255 [0,1,0,1,0,0|1,0,1]=4 864 B6R1.2 NC1CC=CC1 011352 [0,1,0,1,0,0|0,0,1]=3 865 B6R1.2 NC1CCCC1 049405 [0,1,0,1,0,0|0,0,0]=2 866 B6R1.2 NC1CCNC1 024526 [0,1,0,1,0,0|0,0,0]=2 867 B6R1.2 NC1CCOC1 208592 [0,1,0,1,0,0|0,0,0]=2 868 B6R1.2 O=C1CCCC1 044205 [0,1,0,1,0,0|1,0,0]=3 869 B6R1.2 O=C1CCCN1 095374 [0,1,0,1,0,0|0,0,1]=3 870 B6R1.2 O=C1CCCN1 098215 [0,1,0,1,0,0|0,0,1]=3 871 B6R1.2 O=C1CCNC1 078709 [0,1,0,1,0,0|0,0,1]=3 872 B6R1.2 O=C1CCNN1 092652 [0,1,0,1,0,0|1,0,1]=4 873 B6R1.2 O=C1CCOC1 076836 [0,1,0,1,0,0|1,0,1]=4 874 B6R1.2 O=C1CCSC1 214765 [0,1,0,1,0,0|1,0,1]=4 875 B6R1.2 O=C1CNCN1 079854 [0,1,0,1,0,0|1,0,1]=4 876 B6R1.2 O=C1NCCN1 078654 [0,1,0,1,0,0|1,0,1]=4 877 B6R1.2 O=C1NCCO1 216566 [0,1,0,1,0,0|1,0,1]=4 878 B6R1.2 O=C1NCCS1 215692 [0,1,0,1,0,0|1,0,1]=4 879 B6R1.2 O=S1CCCC1 001093 [0,1,0,1,0,0|1,0,0]=3 880 B6R1.2 OC1CC=CC1 011661 [0,1,0,1,0,0|1,0,1]=4 881 B6R1.2 OC1CCCC1 044840 [0,1,0,1,0,0|1,0,0]=3 882 B6R1.2 OC1CCNC1 011341 [0,1,0,1,0,0|0,0,0]=2 883 B6R1.2 OC1CCOC1 005327 [0,1,0,1,0,0|1,0,0]=3 884 B6R1.2 O[C@@H]1CCNC1 076549 [0,1,0,1,0,0|0,0,0]=2 885 B6R1.2 O[C@@H]1CCOC1 093765 [0,1,0,1,0,0|1,0,0]=3 886 B6R1.2 O[C@H]1CCNC1 011760 [0,1,0,1,0,0|0,0,0]=2 887 B6R1.2 O[C@H]1CCNC1 093058 [0,1,0,1,0,0|0,0,0]=2 888 B6R1.2 O[C@H]1CCOC1 078070 [0,1,0,1,0,0|1,0,0]=3 889 B6R1.2 S=C1NCCN1 099092 [0,1,0,1,0,0|1,0,1]=4 890 B6R1.2 S=C1NCCS1 038194 [0,1,0,1,0,0|1,0,1]=4 891 B6R1.2 SC1CCCC1 075248 [0,1,0,1,0,0|1,0,0]=3 892 B6R1.3 CNCC1CC1 065548 [0,1,0,1,0,0|0,0,0]=2 893 B6R1.3 N#CCC1CC1 003711 [0,1,0,1,0,0|0,0,1]=3 894 B6R1.3 O=C=NC1CC1 075691 [0,1,0,1,0,0|1,0,1]=4 895 B6R1.3 O=CNC1CC1 237812 [0,1,0,1,0,0|1,0,1]=4 896 B6R1.3 OCCN1CC1 216355 [0,1,0,1,0,0|1,0,0]=3 897 B6R1.3 S=C=NC1CC1 008786 [0,1,0,1,0,0|1,0,1]=4 898 B6R1.10 CC1(N)CCC1 041889 [0,1,0,1,0,0|0,0,0]=2 899 B6R1.10 FC1(F)CNC1 013896 [0,1,0,1,0,0|2,0,0]=4 900 B6R1.11 CC(=O)C1CC1 005112 [0,1,0,1,0,0|1,0,1]=4 901 B6R1.11 CC(N)C1CC1 095360 [0,1,0,1,0,0|0,0,0]=2 902 B6R1.11 CC(O)C1CC1 354573 [0,1,0,1,0,0|1,0,0]=3 903 B6R1.11 N=C(N)C1CC1 017190 [0,1,0,1,0,0|0,0,1]=3 904 B6R1.11 NC(=O)C1CC1 079247 [0,1,0,1,0,0|0,0,1]=3 905 B6R1.11 O=C(Cl)C1CC1 066721 [0,1,0,1,0,0|1,0,1]=4 906 B6R1.11 O=C(O)C1CC1 009113 [0,1,0,1,0,0|1,0,1]=4 907 B6R1.11 O=S([O-])C1CC1 024941 [0,1,0,1,0,0|2,0,0]=4 908 B6R1.11 OB(O)C1CC1 023296 [0,1,0,1,0,0|2,0,0]=4 909 B6R1.1 C1=CCCCC1 094563 [0,1,0,1,0,0|1,0,0]=3 910 B6R1.1 C1=COCCC1 130700 [0,1,0,1,0,0|1,0,1]=4 911 B6R1.1 C1=NCCCN1 099043 [0,1,0,1,0,0|0,0,1]=3 912 B6R1.1 C1CCCCC1 046756 [0,1,0,1,0,0|1,0,0]=3 913 B6R1.1 C1CCCCC1 102944 [0,1,0,1,0,0|1,0,0]=3 914 B6R1.1 C1CCOCC1 005006 [0,1,0,1,0,0|1,0,0]=3 915 B6R1.1 C1CNCCN1 097595 [0,1,0,1,0,0|0,0,0]=2 916 B6R1.1 C1CNCCN1 102045 [0,1,0,1,0,0|0,0,0]=2 917 B6R1.1 C1COCCN1 043315 [0,1,0,1,0,0|0,0,0]=2 918 B6R1.1 C1COCCN1 101454 [0,1,0,1,0,0|0,0,0]=2 919 B6R1.1 C1COCCO1 044719 [0,1,0,1,0,0|1,0,0]=3 920 B6R1.1 C1COCCO1 102493 [0,1,0,1,0,0|1,0,0]=3 921 B6R1.1 C1CSCCN1 019453 [0,1,0,1,0,0|0,0,0]=2 922 B6R1.1 C1CSCCO1 001450 [0,1,0,1,0,0|1,0,0]=3 923 B6R1.1 C1CSCSC1 214605 [0,1,0,1,0,0|1,0,0]=3 924 B6R1.1 C1OCOCO1 043874 [0,1,0,1,0,0|2,0,0]=4 925 B6R1.6 BrCC1CCC1 067868 [0,1,0,1,0,0|1,0,0]=3 926 B6R1.6 COC1CNC1 077415 [0,1,0,1,0,0|1,0,0]=3 927 B6R1.6 ICC1CCC1 099276 [0,1,0,1,0,0|1,0,0]=3 928 B6R1.6 N#CC1CCC1 003364 [0,1,0,1,0,0|0,0,1]=3 929 B6R1.6 OCC1CCC1 009111 [0,1,0,1,0,0|1,0,0]=3 930 B6R1.6 OCC1CNC1 078174 [0,1,0,1,0,0|1,0,0]=3 931 B6R1.7 CC1(CCl)CO1 067862 [0,1,0,1,0,0|2,0,0]=4 932 B6R1.7 N#CC1(N)CC1 050232 [0,1,0,1,0,0|0,0,2]=4