0 B4R0.1 C#CC(=O)O 167900 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(C)=O 009078 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C#CC(C)C 155700 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#CC(C)O 117510 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 C#C[C@@H](C)O 093946 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.1 C#C[C@H](C)O 103262 [0,0,0,0,0,0|1,0,1]=2 6 B4R0.1 C=C(C)C=O 533380 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 C=C(C)CBr 067665 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C=C(C)CCl 094695 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C=C(C)CO 358232 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 C=C(C)CS 038481 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C=C(C)OC 032479 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C=C(Cl)CCl 003399 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 C=CC(=O)O 099597 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 C=CC(C)=O 099068 [0,0,0,0,0,0|1,0,3]=4 15 B4R0.1 C=CC(C)Cl 099655 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C=CC(C)O 099331 [0,0,0,0,0,0|1,0,1]=2 17 B4R0.1 CC(=O)C=O 069255 [0,0,0,0,0,0|1,0,3]=4 18 B4R0.1 CC(=O)CCl 099980 [0,0,0,0,0,0|1,0,2]=3 19 B4R0.1 CC(=O)CN 078537 [0,0,0,0,0,0|0,0,2]=2 20 B4R0.1 CC(=O)CO 097598 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 CC(=O)NN 049751 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.1 CC(=O)NO 078547 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.1 CC(=O)OO 102863 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.1 CC(=O)O[TlH2] 044421 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.1 CC(Br)C#N 242476 [0,0,0,0,0,0|1,0,2]=3 26 B4R0.1 CC(C)=NO 100400 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 CC(C)C#N 095064 [0,0,0,0,0,0|1,0,2]=3 28 B4R0.1 CC(C)C=O 094969 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 CC(C)C=O 102748 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 CC(C)CBr 097876 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 CC(C)CI 005441 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 CC(C)CN 094648 [0,0,0,0,0,0|1,0,0]=1 33 B4R0.1 CC(C)CO 098794 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 CC(C)CS 097785 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 CC(C)NN 023478 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 CC(C)NO 049798 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 CC(C)ON 049806 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.1 CC(C)[Mg]Br 102695 [0,0,0,0,0,0|3,0,0]=3 39 B4R0.1 CC(C)[Mg]Cl 044829 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.1 CC(C)[Mg]Cl 044854 [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 CC(Cl)C#N 076018 [0,0,0,0,0,0|1,0,2]=3 42 B4R0.1 CC(Cl)CCl 094620 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 CC(N)CN 094789 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.1 CC(N)CO 092185 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 CC(O)CBr 001137 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 CC(O)CN 099022 [0,0,0,0,0,0|0,0,0]=0 47 B4R0.1 CC(O)CO 492646 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 CC=C(C)C 102641 [0,0,0,0,0,0|2,0,2]=4 49 B4R0.1 CCB(O)O 065613 [0,0,0,0,0,0|3,0,0]=3 50 B4R0.1 CCC(=O)Br BR1194 [0,0,0,0,0,0|2,0,2]=4 51 B4R0.1 CCC(=O)Cl 098881 [0,0,0,0,0,0|2,0,2]=4 52 B4R0.1 CCC(=O)O 098214 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.1 CCC(=O)O 104856 [0,0,0,0,0,0|2,0,1]=3 54 B4R0.1 CCC(=O)[O-] 105990 [0,0,0,0,0,0|2,0,2]=4 55 B4R0.1 CCC(=O)[O-] 106505 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.1 CCC(C)=O 046806 [0,0,0,0,0,0|1,0,2]=3 57 B4R0.1 CCC(C)=O 075238 [0,0,0,0,0,0|1,0,2]=3 58 B4R0.1 CCC(C)=O 101973 [0,0,0,0,0,0|1,0,2]=3 59 B4R0.1 CCC(C)=O 102570 [0,0,0,0,0,0|1,0,2]=3 60 B4R0.1 CCC(C)Br 110100 [0,0,0,0,0,0|2,0,0]=2 61 B4R0.1 CCC(C)C 105976 [0,0,0,0,0,0|2,0,0]=2 62 B4R0.1 CCC(C)I 099306 [0,0,0,0,0,0|2,0,0]=2 63 B4R0.1 CCC(C)N 094534 [0,0,0,0,0,0|2,0,0]=2 64 B4R0.1 CCC(C)O 080268 [0,0,0,0,0,0|1,0,0]=1 65 B4R0.1 CCC(C)S 098013 [0,0,0,0,0,0|1,1,0]=2 66 B4R0.1 CCC(N)=O 069325 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.1 CCN(C)C 099918 [0,0,0,0,0,0|3,0,0]=3 68 B4R0.1 CCS(=O)[O-] 035597 [0,0,0,0,0,0|3,0,1]=4 69 B4R0.1 CC[C@H](C)O 036066 [0,0,0,0,0,0|1,0,0]=1 70 B4R0.1 CN(C)C#N 099034 [0,0,0,0,0,0|2,0,2]=4 71 B4R0.1 CN(C)C=O 035911 [0,0,0,0,0,0|3,0,1]=4 72 B4R0.1 CN(C)C=O 046776 [0,0,0,0,0,0|3,0,1]=4 73 B4R0.1 CN(C)C=O 094267 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 CN(C)C=O 099894 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 CN(C)C=O 106424 [0,0,0,0,0,0|3,0,1]=4 76 B4R0.1 CN(C)C=S 078450 [0,0,0,0,0,0|3,0,1]=4 77 B4R0.1 CNC(C)=O 154700 [0,0,0,0,0,0|2,0,2]=4 78 B4R0.1 CNC(C)C 094496 [0,0,0,0,0,0|3,0,0]=3 79 B4R0.1 CNN(C)C 040144 [0,0,0,0,0,0|4,0,0]=4 80 B4R0.1 COC(C)=O 098761 [0,0,0,0,0,0|2,0,2]=4 81 B4R0.1 COC(Cl)Cl 239032 [0,0,0,0,0,0|4,0,0]=4 82 B4R0.1 CO[SiH](C)C S07285 [0,0,0,0,0,0|3,1,0]=4 83 B4R0.1 C[C@@H](N)CO M03439 [0,0,0,0,0,0|2,0,0]=2 84 B4R0.1 C[C@@H](O)CN 234011 [0,0,0,0,0,0|0,0,0]=0 85 B4R0.1 C[C@@H](O)CO 166900 [0,0,0,0,0,0|1,0,0]=1 86 B4R0.1 C[C@H](N)CO M03438 [0,0,0,0,0,0|2,0,0]=2 87 B4R0.1 C[C@H](O)CN 079460 [0,0,0,0,0,0|0,0,0]=0 88 B4R0.1 C[C@H](O)CO 049743 [0,0,0,0,0,0|1,0,0]=1 89 B4R0.1 C[N+](C)=CBr 099927 [0,0,0,0,0,0|3,0,1]=4 90 B4R0.1 C[N+](C)=CCl 046921 [0,0,0,0,0,0|3,0,1]=4 91 B4R0.1 C[SH](C)BCl 102603 [0,0,0,0,0,0|4,0,0]=4 92 B4R0.1 C[SH](C)[Au]Cl 101972 [0,0,0,0,0,0|4,0,0]=4 93 B4R0.1 C\C(N)=N\O 075417 [0,0,0,0,0,0|3,0,1]=4 94 B4R0.1 ClCC(Cl)Cl 520890 [0,0,0,0,0,0|3,0,0]=3 95 B4R0.1 FC(F)CI 034707 [0,0,0,0,0,0|3,0,0]=3 96 B4R0.1 N#CC(F)Cl 038385 [0,0,0,0,0,0|2,0,2]=4 97 B4R0.1 N#CC(F)F 033533 [0,0,0,0,0,0|2,0,2]=4 98 B4R0.1 N=C(N)CCl 018354 [0,0,0,0,0,0|3,0,1]=4 99 B4R0.1 N=C(N)NN 047257 [0,0,0,0,0,0|3,0,1]=4 100 B4R0.1 NC(=O)CBr 091505 [0,0,0,0,0,0|2,0,2]=4 101 B4R0.1 NC(=O)CCl 079297 [0,0,0,0,0,0|2,0,2]=4 102 B4R0.1 NC(=O)CI 001085 [0,0,0,0,0,0|2,0,2]=4 103 B4R0.1 NC(=O)CS 069297 [0,0,0,0,0,0|2,0,2]=4 104 B4R0.1 NCC(=O)O 105741 [0,0,0,0,0,0|1,0,1]=2 105 B4R0.1 NCC(=O)O 229198 [0,0,0,0,0,0|1,0,1]=2 106 B4R0.1 NCC(=O)O M03001 [0,0,0,0,0,0|1,0,1]=2 107 B4R0.1 NCC(=O)[O-] 240909 [0,0,0,0,0,0|1,0,2]=3 108 B4R0.1 NCC(F)F 010670 [0,0,0,0,0,0|2,0,0]=2 109 B4R0.1 NCC(N)=O 078516 [0,0,0,0,0,0|1,0,2]=3 110 B4R0.1 NN=C(N)N 245772 [0,0,0,0,0,0|3,0,1]=4 111 B4R0.1 NNC(N)=O 242276 [0,0,0,0,0,0|2,0,2]=4 112 B4R0.1 NNC(N)=S 078446 [0,0,0,0,0,0|2,1,1]=4 113 B4R0.1 O=C(Br)CBr 004136 [0,0,0,0,0,0|2,0,2]=4 114 B4R0.1 O=C(Cl)CBr 109400 [0,0,0,0,0,0|2,0,2]=4 115 B4R0.1 O=C(Cl)CCl 098899 [0,0,0,0,0,0|2,0,2]=4 116 B4R0.1 O=C(Cl)CCl 099381 [0,0,0,0,0,0|2,0,2]=4 117 B4R0.1 O=C(O)CBr 004135 [0,0,0,0,0,0|2,0,1]=3 118 B4R0.1 O=C(O)CCl 095375 [0,0,0,0,0,0|2,0,1]=3 119 B4R0.1 O=C(O)CI 520348 [0,0,0,0,0,0|2,0,1]=3 120 B4R0.1 O=C(O)CO 058235 [0,0,0,0,0,0|2,0,1]=3 121 B4R0.1 O=C(O)CO 103022 [0,0,0,0,0,0|2,0,1]=3 122 B4R0.1 O=C(O)CS 097732 [0,0,0,0,0,0|2,0,1]=3 123 B4R0.1 O=C([O-])CCl 099322 [0,0,0,0,0,0|2,0,2]=4 124 B4R0.1 O=C([O-])CO 195404 [0,0,0,0,0,0|2,0,2]=4 125 B4R0.1 O=C([O-])CS 106508 [0,0,0,0,0,0|2,0,2]=4 126 B4R0.1 O=CC(=O)O 095359 [0,0,0,0,0,0|2,0,2]=4 127 B4R0.1 O=S([O-])CO 450343 [0,0,0,0,0,0|3,0,1]=4 128 B4R0.1 O=[N+]([O-])CBr 002518 [0,0,0,0,0,0|3,0,1]=4 129 B4R0.1 OCC(F)F 001565 [0,0,0,0,0,0|3,0,0]=3 130 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [0,0,0,0,0,0|1,0,1]=2 131 B3R0.1 BrCCBr 050675 [1,0,0,0,0,0|2,0,0]=3 132 B3R0.1 C#CCBr 167400 [1,0,0,0,0,0|1,0,2]=4 133 B3R0.1 C#CCN 046876 [1,0,0,0,0,0|0,0,2]=3 134 B3R0.1 C#CCN 062949 [1,0,0,0,0,0|0,0,2]=3 135 B3R0.1 C#CCO 167200 [1,0,0,0,0,0|1,0,1]=3 136 B3R0.1 C=CCBr BR1119 [1,0,0,0,0,0|1,0,2]=4 137 B3R0.1 C=CCC 098927 [1,0,0,0,0,0|1,0,1]=3 138 B3R0.1 C=CCCl 094723 [1,0,0,0,0,0|1,0,2]=4 139 B3R0.1 C=CCI 001263 [1,0,0,0,0,0|1,0,2]=4 140 B3R0.1 C=CCN 099131 [1,0,0,0,0,0|0,0,2]=3 141 B3R0.1 C=CCO 099676 [1,0,0,0,0,0|1,0,1]=3 142 B3R0.1 C=CCS 099583 [1,0,0,0,0,0|1,0,2]=4 143 B3R0.1 CC#CC 117205 [1,0,0,0,0,0|1,0,2]=4 144 B3R0.1 CCC#N 094907 [1,0,0,0,0,0|0,0,2]=3 145 B3R0.1 CCC=O 094974 [1,0,0,0,0,0|1,0,1]=3 146 B3R0.1 CCCBr BR1117 [1,0,0,0,0,0|1,0,0]=2 147 B3R0.1 CCCI 005438 [1,0,0,0,0,0|1,0,0]=2 148 B3R0.1 CCCN 101445 [1,0,0,0,0,0|0,0,0]=1 149 B3R0.1 CCCO 098913 [1,0,0,0,0,0|1,0,0]=2 150 B3R0.1 CCCO 102042 [1,0,0,0,0,0|1,0,0]=2 151 B3R0.1 CCCS 098010 [1,0,0,0,0,0|1,0,0]=2 152 B3R0.1 CCC[S-] 104640 [1,0,0,0,0,0|1,0,0]=2 153 B3R0.1 CCNC 044624 [1,0,0,0,0,0|2,0,0]=3 154 B3R0.1 CCON 092211 [1,0,0,0,0,0|1,0,0]=2 155 B3R0.1 CNC=O 098971 [1,0,0,0,0,0|2,0,1]=4 156 B3R0.1 CNNC 446438 [1,0,0,0,0,0|3,0,0]=4 157 B3R0.1 CNOC 023913 [1,0,0,0,0,0|3,0,0]=4 158 B3R0.1 COC=O 101914 [1,0,0,0,0,0|2,0,1]=4 159 B3R0.1 COCBr 005432 [1,0,0,0,0,0|2,0,0]=3 160 B3R0.1 CSC#N 002936 [1,0,0,0,0,0|1,0,2]=4 161 B3R0.1 CSCCl 075261 [1,0,0,0,0,0|2,0,0]=3 162 B3R0.1 CSSC 094878 [1,0,0,0,0,0|3,0,0]=4 163 B3R0.1 C\C=C/C 105248 [1,0,0,0,0,0|1,0,2]=4 164 B3R0.1 C\C=C\C 102601 [1,0,0,0,0,0|1,0,2]=4 165 B3R0.1 C\C=N\O 102319 [1,0,0,0,0,0|2,0,1]=4 166 B3R0.1 C\C=N\O 358241 [1,0,0,0,0,0|2,0,1]=4 167 B3R0.1 ClCCBr BR1051 [1,0,0,0,0,0|2,0,0]=3 168 B3R0.1 ClCCCl 043318 [1,0,0,0,0,0|2,0,0]=3 169 B3R0.1 ClCCCl 102594 [1,0,0,0,0,0|2,0,0]=3 170 B3R0.1 ClCCI 001485 [1,0,0,0,0,0|2,0,0]=3 171 B3R0.1 FCCI 095367 [1,0,0,0,0,0|2,0,0]=3 172 B3R0.1 ICCI 103493 [1,0,0,0,0,0|2,0,0]=3 173 B3R0.1 N#CCBr 001264 [1,0,0,0,0,0|1,0,2]=4 174 B3R0.1 N#CCCl 008863 [1,0,0,0,0,0|1,0,2]=4 175 B3R0.1 N#CCI 001086 [1,0,0,0,0,0|1,0,2]=4 176 B3R0.1 N#CCN 079136 [1,0,0,0,0,0|1,0,1]=3 177 B3R0.1 NCCBr 078524 [1,0,0,0,0,0|1,0,0]=2 178 B3R0.1 NCCCl 119280 [1,0,0,0,0,0|1,0,0]=2 179 B3R0.1 NCCCl 362131 [1,0,0,0,0,0|1,0,0]=2 180 B3R0.1 NCCF 078652 [1,0,0,0,0,0|1,0,0]=2 181 B3R0.1 NCCF 364319 [1,0,0,0,0,0|1,0,0]=2 182 B3R0.1 NCCN 043401 [1,0,0,0,0,0|1,0,0]=2 183 B3R0.1 NCCN 105894 [1,0,0,0,0,0|1,0,0]=2 184 B3R0.1 NCCN 139700 [1,0,0,0,0,0|1,0,0]=2 185 B3R0.1 NCCO 043400 [1,0,0,0,0,0|0,0,0]=1 186 B3R0.1 NCCO 103645 [1,0,0,0,0,0|0,0,0]=1 187 B3R0.1 NCCO 492434 [1,0,0,0,0,0|0,0,0]=1 188 B3R0.1 NCCS 003420 [1,0,0,0,0,0|0,1,0]=2 189 B3R0.1 NNC=O 099623 [1,0,0,0,0,0|1,0,2]=4 190 B3R0.1 O=BOO 094453 [1,0,0,0,0,0|3,0,0]=4 191 B3R0.1 O=CCCl 098847 [1,0,0,0,0,0|1,0,2]=4 192 B3R0.1 OCCBr 111300 [1,0,0,0,0,0|1,0,0]=2 193 B3R0.1 OCCCl 094877 [1,0,0,0,0,0|1,0,0]=2 194 B3R0.1 OCCI 001387 [1,0,0,0,0,0|1,0,0]=2 195 B3R0.1 OCCI 102984 [1,0,0,0,0,0|1,0,0]=2 196 B3R0.1 OCCO 044710 [1,0,0,0,0,0|1,0,0]=2 197 B3R0.1 OCCS 003836 [1,0,0,0,0,0|1,0,0]=2 198 B3R0.1 SCCS M03555 [1,0,0,0,0,0|1,1,0]=3 199 B3R0.1 [2H]OCC 101892 [1,0,0,0,0,0|2,0,0]=3 200 B3R0.2 BrC(Br)Br 050494 [1,0,0,0,0,0|3,0,0]=4 201 B3R0.2 BrC(Br)Br 099552 [1,0,0,0,0,0|3,0,0]=4 202 B3R0.2 C(C)(F)F 004814 [1,0,0,0,0,0|2,0,0]=3 203 B3R0.2 C(Cl)(Cl)Cl 035917 [1,0,0,0,0,0|3,0,0]=4 204 B3R0.2 C=C(C)Br 098357 [1,0,0,0,0,0|1,0,2]=4 205 B3R0.2 C=C(C)C 102139 [1,0,0,0,0,0|1,0,1]=3 206 B3R0.2 C=[N+](C)C 051246 [1,0,0,0,0,0|2,0,0]=3 207 B3R0.2 CB(O)O 214665 [1,0,0,0,0,0|2,0,0]=3 208 B3R0.2 CC(=N)N 021800 [1,0,0,0,0,0|1,0,1]=3 209 B3R0.2 CC(=O)Br 003920 [1,0,0,0,0,0|1,0,2]=4 210 B3R0.2 CC(=O)Cl 094104 [1,0,0,0,0,0|1,0,2]=4 211 B3R0.2 CC(=O)O 035907 [1,0,0,0,0,0|1,0,1]=3 212 B3R0.2 CC(=O)O 043868 [1,0,0,0,0,0|1,0,1]=3 213 B3R0.2 CC(=O)O 044721 [1,0,0,0,0,0|1,0,1]=3 214 B3R0.2 CC(=O)O 101598 [1,0,0,0,0,0|1,0,1]=3 215 B3R0.2 CC(=O)O 104750 [1,0,0,0,0,0|1,0,1]=3 216 B3R0.2 CC(=O)O 106044 [1,0,0,0,0,0|1,0,1]=3 217 B3R0.2 CC(=O)O 106057 [1,0,0,0,0,0|1,0,1]=3 218 B3R0.2 CC(=O)O 106058 [1,0,0,0,0,0|1,0,1]=3 219 B3R0.2 CC(=O)O 106164 [1,0,0,0,0,0|1,0,1]=3 220 B3R0.2 CC(=O)S 094692 [1,0,0,0,0,0|1,0,2]=4 221 B3R0.2 CC(=O)[O-] 044838 [1,0,0,0,0,0|1,0,2]=4 222 B3R0.2 CC(=O)[O-] 050331 [1,0,0,0,0,0|1,0,2]=4 223 B3R0.2 CC(=O)[O-] 095373 [1,0,0,0,0,0|1,0,2]=4 224 B3R0.2 CC(=O)[O-] 095810 [1,0,0,0,0,0|1,0,2]=4 225 B3R0.2 CC(=O)[O-] 095811 [1,0,0,0,0,0|1,0,2]=4 226 B3R0.2 CC(=O)[O-] 095813 [1,0,0,0,0,0|1,0,2]=4 227 B3R0.2 CC(=O)[O-] 098592 [1,0,0,0,0,0|1,0,2]=4 228 B3R0.2 CC(=O)[O-] 098906 [1,0,0,0,0,0|1,0,2]=4 229 B3R0.2 CC(=O)[O-] 098951 [1,0,0,0,0,0|1,0,2]=4 230 B3R0.2 CC(=O)[O-] 099265 [1,0,0,0,0,0|1,0,2]=4 231 B3R0.2 CC(=O)[O-] 099279 [1,0,0,0,0,0|1,0,2]=4 232 B3R0.2 CC(=O)[O-] 099299 [1,0,0,0,0,0|1,0,2]=4 233 B3R0.2 CC(=O)[O-] 099359 [1,0,0,0,0,0|1,0,2]=4 234 B3R0.2 CC(=O)[O-] 099374 [1,0,0,0,0,0|1,0,2]=4 235 B3R0.2 CC(=O)[O-] 099561 [1,0,0,0,0,0|1,0,2]=4 236 B3R0.2 CC(=O)[O-] 099735 [1,0,0,0,0,0|1,0,2]=4 237 B3R0.2 CC(=O)[O-] 101990 [1,0,0,0,0,0|1,0,2]=4 238 B3R0.2 CC(=O)[O-] 102370 [1,0,0,0,0,0|1,0,2]=4 239 B3R0.2 CC(=O)[O-] 102576 [1,0,0,0,0,0|1,0,2]=4 240 B3R0.2 CC(=O)[O-] 102577 [1,0,0,0,0,0|1,0,2]=4 241 B3R0.2 CC(=O)[O-] 102751 [1,0,0,0,0,0|1,0,2]=4 242 B3R0.2 CC(=O)[O-] 102954 [1,0,0,0,0,0|1,0,2]=4 243 B3R0.2 CC(=O)[O-] 103004 [1,0,0,0,0,0|1,0,2]=4 244 B3R0.2 CC(=O)[O-] 103454 [1,0,0,0,0,0|1,0,2]=4 245 B3R0.2 CC(=O)[O-] 103547 [1,0,0,0,0,0|1,0,2]=4 246 B3R0.2 CC(=O)[O-] 103666 [1,0,0,0,0,0|1,0,2]=4 247 B3R0.2 CC(=O)[O-] 104120 [1,0,0,0,0,0|1,0,2]=4 248 B3R0.2 CC(=O)[O-] 104124 [1,0,0,0,0,0|1,0,2]=4 249 B3R0.2 CC(=O)[O-] 104255 [1,0,0,0,0,0|1,0,2]=4 250 B3R0.2 CC(=O)[O-] 104267 [1,0,0,0,0,0|1,0,2]=4 251 B3R0.2 CC(=O)[O-] 104268 [1,0,0,0,0,0|1,0,2]=4 252 B3R0.2 CC(=O)[O-] 104731 [1,0,0,0,0,0|1,0,2]=4 253 B3R0.2 CC(=O)[O-] 104732 [1,0,0,0,0,0|1,0,2]=4 254 B3R0.2 CC(=O)[O-] 104830 [1,0,0,0,0,0|1,0,2]=4 255 B3R0.2 CC(=O)[O-] 104834 [1,0,0,0,0,0|1,0,2]=4 256 B3R0.2 CC(=O)[O-] 106015 [1,0,0,0,0,0|1,0,2]=4 257 B3R0.2 CC(=O)[O-] 106936 [1,0,0,0,0,0|1,0,2]=4 258 B3R0.2 CC(=O)[O-] 449646 [1,0,0,0,0,0|1,0,2]=4 259 B3R0.2 CC(=O)[O-] 492414 [1,0,0,0,0,0|1,0,2]=4 260 B3R0.2 CC(=O)[O-] 492458 [1,0,0,0,0,0|1,0,2]=4 261 B3R0.2 CC(=O)[O-] 492460 [1,0,0,0,0,0|1,0,2]=4 262 B3R0.2 CC(=O)[O-] 493837 [1,0,0,0,0,0|1,0,2]=4 263 B3R0.2 CC(=O)[O-] 493847 [1,0,0,0,0,0|1,0,2]=4 264 B3R0.2 CC(=O)[O-] 494093 [1,0,0,0,0,0|1,0,2]=4 265 B3R0.2 CC(=O)[O-] 494137 [1,0,0,0,0,0|1,0,2]=4 266 B3R0.2 CC(=O)[O-] 494138 [1,0,0,0,0,0|1,0,2]=4 267 B3R0.2 CC(=O)[O-] 494390 [1,0,0,0,0,0|1,0,2]=4 268 B3R0.2 CC(=O)[S-] 050515 [1,0,0,0,0,0|1,0,2]=4 269 B3R0.2 CC(C)=O 035905 [1,0,0,0,0,0|0,0,2]=3 270 B3R0.2 CC(C)=O 050332 [1,0,0,0,0,0|0,0,2]=3 271 B3R0.2 CC(C)=O 099892 [1,0,0,0,0,0|0,0,2]=3 272 B3R0.2 CC(C)=O 102148 [1,0,0,0,0,0|0,0,2]=3 273 B3R0.2 CC(C)=O 102613 [1,0,0,0,0,0|0,0,2]=3 274 B3R0.2 CC(C)=O 103138 [1,0,0,0,0,0|0,0,2]=3 275 B3R0.2 CC(C)Br BR1118 [1,0,0,0,0,0|1,0,0]=2 276 B3R0.2 CC(C)Cl 438389 [1,0,0,0,0,0|1,0,0]=2 277 B3R0.2 CC(C)I 094561 [1,0,0,0,0,0|1,0,0]=2 278 B3R0.2 CC(C)N 046833 [1,0,0,0,0,0|1,0,0]=2 279 B3R0.2 CC(C)N 094589 [1,0,0,0,0,0|1,0,0]=2 280 B3R0.2 CC(C)N 102424 [1,0,0,0,0,0|1,0,0]=2 281 B3R0.2 CC(C)O 035913 [1,0,0,0,0,0|0,0,0]=1 282 B3R0.2 CC(C)O 098379 [1,0,0,0,0,0|0,0,0]=1 283 B3R0.2 CC(C)O 102166 [1,0,0,0,0,0|0,0,0]=1 284 B3R0.2 CC(C)O 102226 [1,0,0,0,0,0|0,0,0]=1 285 B3R0.2 CC(C)O 105811 [1,0,0,0,0,0|0,0,0]=1 286 B3R0.2 CC(C)S 098993 [1,0,0,0,0,0|0,1,0]=2 287 B3R0.2 CC(C)[O-] 098874 [1,0,0,0,0,0|0,0,1]=2 288 B3R0.2 CC(C)[O-] 099441 [1,0,0,0,0,0|0,0,1]=2 289 B3R0.2 CC(C)[S-] 103566 [1,0,0,0,0,0|0,1,0]=2 290 B3R0.2 CC(Cl)Cl 047063 [1,0,0,0,0,0|2,0,0]=3 291 B3R0.2 CC(N)=O 044859 [1,0,0,0,0,0|0,0,2]=3 292 B3R0.2 CC(N)=S 012744 [1,0,0,0,0,0|0,1,1]=3 293 B3R0.2 CC(N)=S 099460 [1,0,0,0,0,0|0,1,1]=3 294 B3R0.2 CN(C)C 094483 [1,0,0,0,0,0|2,0,0]=3 295 B3R0.2 CN(C)C 099336 [1,0,0,0,0,0|2,0,0]=3 296 B3R0.2 CN(C)C 101873 [1,0,0,0,0,0|2,0,0]=3 297 B3R0.2 CN(C)C 102008 [1,0,0,0,0,0|2,0,0]=3 298 B3R0.2 CN(C)C 102395 [1,0,0,0,0,0|2,0,0]=3 299 B3R0.2 CN(C)C 102396 [1,0,0,0,0,0|2,0,0]=3 300 B3R0.2 CN(C)C 358045 [1,0,0,0,0,0|2,0,0]=3 301 B3R0.2 CN(C)N 245913 [1,0,0,0,0,0|2,0,0]=3 302 B3R0.2 CN(C)O 104141 [1,0,0,0,0,0|1,0,0]=2 303 B3R0.2 CP(C)C 104924 [1,0,0,0,0,0|2,0,0]=3 304 B3R0.2 CS(=O)[O-] 001284 [1,0,0,0,0,0|2,0,1]=4 305 B3R0.2 CS(C)=O 046777 [1,0,0,0,0,0|1,0,1]=3 306 B3R0.2 CS(C)=O 099368 [1,0,0,0,0,0|1,0,1]=3 307 B3R0.2 CS(C)=O 102741 [1,0,0,0,0,0|1,0,1]=3 308 B3R0.2 C[N+](=O)[O-] 099354 [1,0,0,0,0,0|2,0,1]=4 309 B3R0.2 C[N+](=O)[O-] 104857 [1,0,0,0,0,0|2,0,1]=4 310 B3R0.2 C[N+](=O)[O-] BR1297 [1,0,0,0,0,0|2,0,1]=4 311 B3R0.2 C[S+](C)C 175000 [1,0,0,0,0,0|2,0,0]=3 312 B3R0.2 C[SiH](C)Cl S06975 [1,0,0,0,0,0|1,1,0]=3 313 B3R0.2 ClC(Br)Br 001073 [1,0,0,0,0,0|3,0,0]=4 314 B3R0.2 ClC(Cl)Cl 095000 [1,0,0,0,0,0|3,0,0]=4 315 B3R0.2 ClC(Cl)Cl 101614 [1,0,0,0,0,0|3,0,0]=4 316 B3R0.2 FC(F)I 106958 [1,0,0,0,0,0|3,0,0]=4 317 B3R0.2 IC(I)I 102350 [1,0,0,0,0,0|3,0,0]=4 318 B3R0.2 N=C(N)Cl 075371 [1,0,0,0,0,0|2,0,1]=4 319 B3R0.2 N=C(N)N 044943 [1,0,0,0,0,0|2,0,1]=4 320 B3R0.2 N=C(N)N 098811 [1,0,0,0,0,0|2,0,1]=4 321 B3R0.2 N=C(N)N 104266 [1,0,0,0,0,0|2,0,1]=4 322 B3R0.2 N=C(N)N 143800 [1,0,0,0,0,0|2,0,1]=4 323 B3R0.2 N=C(N)N M01833 [1,0,0,0,0,0|2,0,1]=4 324 B3R0.2 NC(=O)[O-] 240898 [1,0,0,0,0,0|1,0,2]=4 325 B3R0.2 NC(N)=O 044699 [1,0,0,0,0,0|1,0,2]=4 326 B3R0.2 NC(N)=O 094887 [1,0,0,0,0,0|1,0,2]=4 327 B3R0.2 NC(N)=O 245966 [1,0,0,0,0,0|1,0,2]=4 328 B3R0.2 NC(N)=O M02656 [1,0,0,0,0,0|1,0,2]=4 329 B3R0.2 NC(N)=S 044741 [1,0,0,0,0,0|1,1,1]=4 330 B3R0.2 NC(N)=S 103320 [1,0,0,0,0,0|1,1,1]=4 331 B3R0.2 O=C(O)O 094746 [1,0,0,0,0,0|2,0,1]=4 332 B3R0.2 O=C(O)O 105338 [1,0,0,0,0,0|2,0,1]=4 333 B3R0.2 O=C(O)O 105407 [1,0,0,0,0,0|2,0,1]=4 334 B3R0.2 O=C([O-])O 044705 [1,0,0,0,0,0|2,0,1]=4 335 B3R0.2 O=C([O-])O 044759 [1,0,0,0,0,0|2,0,1]=4 336 B3R0.2 O=C([O-])O 095377 [1,0,0,0,0,0|2,0,1]=4 337 B3R0.2 O=C([O-])O 099274 [1,0,0,0,0,0|2,0,1]=4 338 B3R0.2 O=C([O-])O 099353 [1,0,0,0,0,0|2,0,1]=4 339 B3R0.2 O=C([O-])O 099941 [1,0,0,0,0,0|2,0,1]=4 340 B3R0.2 O=C([O-])O 101989 [1,0,0,0,0,0|2,0,1]=4 341 B3R0.2 O=C([O-])O 102030 [1,0,0,0,0,0|2,0,1]=4 342 B3R0.2 O=C([O-])O 102774 [1,0,0,0,0,0|2,0,1]=4 343 B3R0.2 O=C([O-])O 102942 [1,0,0,0,0,0|2,0,1]=4 344 B3R0.2 O=C([O-])O 104315 [1,0,0,0,0,0|2,0,1]=4 345 B3R0.2 O=I(=O)O 106429 [1,0,0,0,0,0|3,0,0]=4 346 B3R0.2 O=S([O-])O 075234 [1,0,0,0,0,0|3,0,0]=4 347 B3R0.2 O=S([O-])O 099416 [1,0,0,0,0,0|3,0,0]=4 348 B3R0.2 O=S([O-])O 106048 [1,0,0,0,0,0|3,0,0]=4 349 B3R0.2 O=[N+]([O-])O 099784 [1,0,0,0,0,0|3,0,0]=4 350 B3R0.2 O=[N+]([O-])O 102498 [1,0,0,0,0,0|3,0,0]=4 351 B3R0.2 O=[Si](O)O 101481 [1,0,0,0,0,0|2,1,0]=4 352 B3R0.2 OB(O)O 094443 [1,0,0,0,0,0|3,0,0]=4 353 B3R0.2 OB(O)O 099748 [1,0,0,0,0,0|3,0,0]=4 354 B3R0.2 OB(O)O 103993 [1,0,0,0,0,0|3,0,0]=4 355 B3R0.2 OB(O)O 104270 [1,0,0,0,0,0|3,0,0]=4 356 B3R0.2 OB(O)O 104328 [1,0,0,0,0,0|3,0,0]=4 357 B5R0.1 C#CCC(C)C 104535 [0,1,0,0,0,0|2,0,0]=3 358 B5R0.1 C#CCC(C)O 532537 [0,1,0,0,0,0|1,0,0]=2 359 B5R0.1 C=C(C)CCBr 223736 [0,1,0,0,0,0|2,0,1]=4 360 B5R0.1 C=C(C)CCO 358461 [0,1,0,0,0,0|2,0,1]=4 361 B5R0.1 C=C(C)OCC 471668 [0,1,0,0,0,0|2,0,1]=4 362 B5R0.1 C=CCC(C)C 106337 [0,1,0,0,0,0|2,0,0]=3 363 B5R0.1 CC(=O)CCCl 069833 [0,1,0,0,0,0|1,0,2]=4 364 B5R0.1 CC(=O)CCO 358442 [0,1,0,0,0,0|1,0,2]=4 365 B5R0.1 CC(=O)NCO 430081 [0,1,0,0,0,0|1,0,2]=4 366 B5R0.1 CC(Br)CCBr BR1240 [0,1,0,0,0,0|2,0,0]=3 367 B5R0.1 CC(C)=CCBr 053316 [0,1,0,0,0,0|2,0,1]=4 368 B5R0.1 CC(C)=CCCl 349314 [0,1,0,0,0,0|2,0,1]=4 369 B5R0.1 CC(C)=CCO 358414 [0,1,0,0,0,0|2,0,1]=4 370 B5R0.1 CC(C)CC#N 386919 [0,1,0,0,0,0|1,0,1]=3 371 B5R0.1 CC(C)CC=O 094970 [0,1,0,0,0,0|2,0,0]=3 372 B5R0.1 CC(C)CCBr BR1353 [0,1,0,0,0,0|2,0,0]=3 373 B5R0.1 CC(C)CCI 046949 [0,1,0,0,0,0|2,0,0]=3 374 B5R0.1 CC(C)CCN 097749 [0,1,0,0,0,0|1,0,0]=2 375 B5R0.1 CC(C)CCO 097704 [0,1,0,0,0,0|2,0,0]=3 376 B5R0.1 CC(C)CCO 103352 [0,1,0,0,0,0|2,0,0]=3 377 B5R0.1 CC(C)CCS 358459 [0,1,0,0,0,0|2,0,0]=3 378 B5R0.1 CC(C)CNN 023508 [0,1,0,0,0,0|1,0,0]=2 379 B5R0.1 CC(C)N=C=S 008986 [0,1,0,0,0,0|2,0,1]=4 380 B5R0.1 CC(C)NC=O 103706 [0,1,0,0,0,0|2,0,1]=4 381 B5R0.1 CC(C)SC#N 005915 [0,1,0,0,0,0|1,0,2]=4 382 B5R0.1 CC(O)CCO 099380 [0,1,0,0,0,0|1,0,0]=2 383 B5R0.1 CCCB(O)O 092177 [0,1,0,0,0,0|3,0,0]=4 384 B5R0.1 CCCC(=O)O 102473 [0,1,0,0,0,0|2,0,1]=4 385 B5R0.1 CCCC(C)Br 024476 [0,1,0,0,0,0|2,0,0]=3 386 B5R0.1 CCCC(C)Br BR1101 [0,1,0,0,0,0|2,0,0]=3 387 B5R0.1 CCCC(C)C 098758 [0,1,0,0,0,0|2,0,0]=3 388 B5R0.1 CCCC(C)N 097754 [0,1,0,0,0,0|2,0,0]=3 389 B5R0.1 CCCC(C)O 099024 [0,1,0,0,0,0|1,0,0]=2 390 B5R0.1 CCCC(C)S 070734 [0,1,0,0,0,0|1,1,0]=3 391 B5R0.1 CCC[C@H](C)O 036089 [0,1,0,0,0,0|1,0,0]=2 392 B5R0.1 CCNC(C)C 057128 [0,1,0,0,0,0|2,0,0]=3 393 B5R0.1 CCOC(C)=N 239394 [0,1,0,0,0,0|2,0,1]=4 394 B5R0.1 CCOC(C)=O 035909 [0,1,0,0,0,0|1,0,2]=4 395 B5R0.1 CCOC(C)=O 099553 [0,1,0,0,0,0|1,0,2]=4 396 B5R0.1 CCOC(C)=O 099895 [0,1,0,0,0,0|1,0,2]=4 397 B5R0.1 CN(C)CCBr 077959 [0,1,0,0,0,0|3,0,0]=4 398 B5R0.1 CN(C)CCCl 077638 [0,1,0,0,0,0|3,0,0]=4 399 B5R0.1 CN(C)CCN 043851 [0,1,0,0,0,0|2,0,0]=3 400 B5R0.1 CN(C)CCO 044665 [0,1,0,0,0,0|3,0,0]=4 401 B5R0.1 CN(C)CCS 450419 [0,1,0,0,0,0|3,0,0]=4 402 B5R0.1 CNCC(=O)O 095119 [0,1,0,0,0,0|1,0,1]=3 403 B5R0.1 CNCC(C)C 047078 [0,1,0,0,0,0|1,0,0]=2 404 B5R0.1 COCC(=O)O 237785 [0,1,0,0,0,0|2,0,1]=4 405 B5R0.1 COCC(C)=O 002450 [0,1,0,0,0,0|1,0,2]=4 406 B5R0.1 COCC(C)N 402335 [0,1,0,0,0,0|2,0,0]=3 407 B5R0.1 COCC(C)O 093985 [0,1,0,0,0,0|1,0,0]=2 408 B5R0.1 COC[C@@H](C)N 079780 [0,1,0,0,0,0|2,0,0]=3 409 B5R0.1 COC[C@@H](C)O 036090 [0,1,0,0,0,0|1,0,0]=2 410 B5R0.1 CSCC(=O)O 010416 [0,1,0,0,0,0|2,0,1]=4 411 B5R0.1 CSCS(C)=O 303199 [0,1,0,0,0,0|2,0,1]=4 412 B5R0.1 C[C@@H](N)CCO 092790 [0,1,0,0,0,0|2,0,0]=3 413 B5R0.1 C[C@@H](O)CCO 041923 [0,1,0,0,0,0|1,0,0]=2 414 B5R0.1 C[C@H](N)CCO 092789 [0,1,0,0,0,0|2,0,0]=3 415 B5R0.1 C[C@H](O)CCO 041922 [0,1,0,0,0,0|1,0,0]=2 416 B5R0.1 N#CCC(=O)O 098058 [0,1,0,0,0,0|1,0,2]=4 417 B5R0.1 NCCC(=O)O 044720 [0,1,0,0,0,0|1,0,1]=3 418 B5R0.1 NCCC(N)=O 221578 [0,1,0,0,0,0|1,0,2]=4 419 B5R0.1 NOCC(=O)O 222804 [0,1,0,0,0,0|1,0,1]=3 420 B5R0.1 O=C(O)CCBr 003025 [0,1,0,0,0,0|2,0,1]=4 421 B5R0.1 O=C(O)CCCl 242740 [0,1,0,0,0,0|2,0,1]=4 422 B5R0.1 O=C(O)CCI 003069 [0,1,0,0,0,0|2,0,1]=4 423 B5R0.1 O=C(O)CCO 147100 [0,1,0,0,0,0|2,0,1]=4 424 B5R0.1 O=C(O)CCS 094485 [0,1,0,0,0,0|2,0,1]=4 425 B5R0.3 BrCC(Br)CBr 001242 [0,1,0,0,0,0|2,0,0]=3 426 B5R0.3 C#CC(O)CC 164300 [0,1,0,0,0,0|1,0,1]=3 427 B5R0.3 C=C(CCl)CCl 386371 [0,1,0,0,0,0|2,0,1]=4 428 B5R0.3 C=C(CO)CO 079496 [0,1,0,0,0,0|1,0,2]=4 429 B5R0.3 C=CC(C)C#N 106335 [0,1,0,0,0,0|1,0,2]=4 430 B5R0.3 C=CC(O)CC 464567 [0,1,0,0,0,0|1,0,1]=3 431 B5R0.3 C=CC(O)CO 099464 [0,1,0,0,0,0|1,0,1]=3 432 B5R0.3 CC(CBr)CBr 229847 [0,1,0,0,0,0|2,0,0]=3 433 B5R0.3 CC(CCl)CBr 239837 [0,1,0,0,0,0|2,0,0]=3 434 B5R0.3 CC(CO)CO 242900 [0,1,0,0,0,0|1,0,0]=2 435 B5R0.3 CCC(=O)CBr 002514 [0,1,0,0,0,0|1,0,2]=4 436 B5R0.3 CCC(=O)CC 094591 [0,1,0,0,0,0|1,0,2]=4 437 B5R0.3 CCC(=O)NC 103047 [0,1,0,0,0,0|1,0,2]=4 438 B5R0.3 CCC(=O)NN 026652 [0,1,0,0,0,0|1,0,2]=4 439 B5R0.3 CCC(Br)CC 358240 [0,1,0,0,0,0|2,0,0]=3 440 B5R0.3 CCC(C)C=O 103622 [0,1,0,0,0,0|1,0,1]=3 441 B5R0.3 CCC(C)CC 098988 [0,1,0,0,0,0|2,0,0]=3 442 B5R0.3 CCC(C)CN 013636 [0,1,0,0,0,0|1,0,0]=2 443 B5R0.3 CCC(C)CO 358145 [0,1,0,0,0,0|1,0,0]=2 444 B5R0.3 CCC(C)NN 046283 [0,1,0,0,0,0|2,0,0]=3 445 B5R0.3 CCC(N)CC 094499 [0,1,0,0,0,0|2,0,0]=3 446 B5R0.3 CCC(N)CO 091481 [0,1,0,0,0,0|2,0,0]=3 447 B5R0.3 CCC(O)C#N 103338 [0,1,0,0,0,0|0,0,2]=3 448 B5R0.3 CCC(O)CC 358049 [0,1,0,0,0,0|1,0,0]=2 449 B5R0.3 CCC(O)CN 002496 [0,1,0,0,0,0|0,0,0]=1 450 B5R0.3 CCN(C)CC 493739 [0,1,0,0,0,0|3,0,0]=4 451 B5R0.3 CCN(O)CC 105777 [0,1,0,0,0,0|2,0,0]=3 452 B5R0.3 CCN(O)CC 129600 [0,1,0,0,0,0|2,0,0]=3 453 B5R0.3 CCS(=O)CC 094782 [0,1,0,0,0,0|2,0,1]=4 454 B5R0.3 CC[C@@H](N)CO 012703 [0,1,0,0,0,0|2,0,0]=3 455 B5R0.3 CC[C@H](C)CO 473128 [0,1,0,0,0,0|1,0,0]=2 456 B5R0.3 CC[C@H](N)CO 012704 [0,1,0,0,0,0|2,0,0]=3 457 B5R0.3 CC\C(C)=N\O 099127 [0,1,0,0,0,0|1,0,1]=3 458 B5R0.3 CNC(=O)CBr 043828 [0,1,0,0,0,0|1,0,2]=4 459 B5R0.3 CNC(=O)CCl 094091 [0,1,0,0,0,0|1,0,2]=4 460 B5R0.3 CNC(=O)CN 075035 [0,1,0,0,0,0|0,0,2]=3 461 B5R0.3 CNC(=S)NN 018882 [0,1,0,0,0,0|1,1,1]=4 462 B5R0.3 COC(=O)CBr 006774 [0,1,0,0,0,0|1,0,2]=4 463 B5R0.3 COC(=O)CCl 095344 [0,1,0,0,0,0|1,0,2]=4 464 B5R0.3 COC(=O)CI 103193 [0,1,0,0,0,0|1,0,2]=4 465 B5R0.3 COC(=O)CN M03021 [0,1,0,0,0,0|0,0,2]=3 466 B5R0.3 COC(=O)CO 227696 [0,1,0,0,0,0|1,0,2]=4 467 B5R0.3 COC(=O)CS 011917 [0,1,0,0,0,0|1,0,2]=4 468 B5R0.3 COC(=O)NN 094656 [0,1,0,0,0,0|1,0,2]=4 469 B5R0.3 COC(C)OC 104486 [0,1,0,0,0,0|2,0,0]=3 470 B5R0.3 ClCC(Cl)CCl 099132 [0,1,0,0,0,0|2,0,0]=3 471 B5R0.3 NC(CO)CO 043594 [0,1,0,0,0,0|2,0,0]=3 472 B5R0.3 NCC(=O)CN 245676 [0,1,0,0,0,0|0,0,2]=3 473 B5R0.3 NCC(O)CN 013503 [0,1,0,0,0,0|0,0,0]=1 474 B5R0.3 NCC(O)CO 093744 [0,1,0,0,0,0|0,0,0]=1 475 B5R0.3 NC[C@@H](O)CO 036807 [0,1,0,0,0,0|0,0,0]=1 476 B5R0.3 NC[C@H](O)CCl 320853 [0,1,0,0,0,0|0,0,0]=1 477 B5R0.3 NNC(=O)CO 069267 [0,1,0,0,0,0|1,0,2]=4 478 B5R0.3 O=C(CCl)CCl 469912 [0,1,0,0,0,0|1,0,2]=4 479 B5R0.3 O=C(CO)CO 093516 [0,1,0,0,0,0|1,0,2]=4 480 B5R0.3 OC(CBr)CBr 242654 [0,1,0,0,0,0|1,0,0]=2 481 B5R0.3 OC(CCl)CCl 214775 [0,1,0,0,0,0|1,0,0]=2 482 B5R0.3 OCC(O)CCl 242924 [0,1,0,0,0,0|1,0,0]=2 483 B5R0.3 OCC(O)CO 094580 [0,1,0,0,0,0|1,0,0]=2 484 B5R0.3 OCC(O)CO 102072 [0,1,0,0,0,0|1,0,0]=2 485 B5R0.3 OCC(O)CO 104202 [0,1,0,0,0,0|1,0,0]=2 486 B5R0.3 OCC(O)CS 104512 [0,1,0,0,0,0|1,0,0]=2 487 B5R0.3 OC[C@@H](O)CCl 079187 [0,1,0,0,0,0|1,0,0]=2 488 B5R0.4 BNC(C)(C)C 101999 [0,1,0,0,0,0|3,0,0]=4 489 B5R0.4 C#CC(C)(C)C 134000 [0,1,0,0,0,0|2,0,1]=4 490 B5R0.4 C#CC(C)(C)Cl 009094 [0,1,0,0,0,0|2,0,1]=4 491 B5R0.4 C#CC(C)(C)N 030955 [0,1,0,0,0,0|2,0,1]=4 492 B5R0.4 C#CC(C)(C)O 077701 [0,1,0,0,0,0|1,0,1]=3 493 B5R0.4 C=CC(C)(C)C 098818 [0,1,0,0,0,0|2,0,1]=4 494 B5R0.4 C=CC(C)(C)O 051281 [0,1,0,0,0,0|1,0,1]=3 495 B5R0.4 CC(C)(Br)CBr 003878 [0,1,0,0,0,0|2,0,0]=3 496 B5R0.4 CC(C)(C)C#N 350843 [0,1,0,0,0,0|1,0,2]=4 497 B5R0.4 CC(C)(C)C=O 095838 [0,1,0,0,0,0|2,0,1]=4 498 B5R0.4 CC(C)(C)CI 099189 [0,1,0,0,0,0|2,0,0]=3 499 B5R0.4 CC(C)(C)CN 160000 [0,1,0,0,0,0|1,0,0]=2 500 B5R0.4 CC(C)(C)CO 094979 [0,1,0,0,0,0|2,0,0]=3 501 B5R0.4 CC(C)(C)NN 042252 [0,1,0,0,0,0|2,0,0]=3 502 B5R0.4 CC(C)(C)NO 069319 [0,1,0,0,0,0|3,0,0]=4 503 B5R0.4 CC(C)(C)[Mg]Cl 102582 [0,1,0,0,0,0|3,0,0]=4 504 B5R0.4 CC(C)(C)[Mg]Cl 104904 [0,1,0,0,0,0|3,0,0]=4 505 B5R0.4 CC(C)(N)CN 051242 [0,1,0,0,0,0|1,0,0]=2 506 B5R0.4 CC(C)(N)CO 094438 [0,1,0,0,0,0|2,0,0]=3 507 B5R0.4 CC(C)(O)C#N 102614 [0,1,0,0,0,0|0,0,2]=3 508 B5R0.4 CC(C)(O)CCl 120400 [0,1,0,0,0,0|1,0,0]=2 509 B5R0.4 CC(C)(O)CN 041912 [0,1,0,0,0,0|0,0,0]=1 510 B5R0.4 CC(C)(O)CO 080226 [0,1,0,0,0,0|1,0,0]=2 511 B5R0.4 CC(F)(F)CO 034700 [0,1,0,0,0,0|2,0,0]=3 512 B5R0.4 CCC(C)(C)Br 005914 [0,1,0,0,0,0|2,0,0]=3 513 B5R0.4 CCC(C)(C)N 102046 [0,1,0,0,0,0|2,0,0]=3 514 B5R0.4 CCC(C)(C)O 094937 [0,1,0,0,0,0|1,0,0]=2 515 B5R0.4 CCC(C)(C)O 094938 [0,1,0,0,0,0|1,0,0]=2 516 B5R0.4 CCC(C)(C)O 098852 [0,1,0,0,0,0|1,0,0]=2 517 B5R0.4 CCC(C)(C)[O-] 094579 [0,1,0,0,0,0|1,0,1]=3 518 B5R0.4 CCC(C)(C)[O-] 104770 [0,1,0,0,0,0|1,0,1]=3 519 B5R0.4 CCC(C)(C)[O-] 105003 [0,1,0,0,0,0|1,0,1]=3 520 B5R0.4 CC[Si](C)(C)Cl 005276 [0,1,0,0,0,0|2,1,0]=4 521 B5R0.4 CNC(C)(C)C 024302 [0,1,0,0,0,0|3,0,0]=4 522 B5R0.4 COC(C)(C)C 044713 [0,1,0,0,0,0|3,0,0]=4 523 B5R0.4 COC(C)(C)C 044713 [0,1,0,0,0,0|3,0,0]=4 524 B5R0.4 COC(C)(C)C 099538 [0,1,0,0,0,0|3,0,0]=4 525 B5R0.4 CS(=O)(=O)NN 321633 [0,1,0,0,0,0|2,0,1]=4 526 B5R0.4 C[Si](C)(C)CBr S02925 [0,1,0,0,0,0|2,1,0]=4 527 B5R0.4 C[Si](C)(C)CCl S04425 [0,1,0,0,0,0|2,1,0]=4 528 B5R0.4 C[Si](C)(C)CI S10025 [0,1,0,0,0,0|2,1,0]=4 529 B5R0.4 C[Si](C)(Cl)CBr S02900 [0,1,0,0,0,0|2,1,0]=4 530 B5R0.4 C[Si](C)(Cl)CCl 005267 [0,1,0,0,0,0|2,1,0]=4 531 B5R0.4 FC(F)(F)CI 001536 [0,1,0,0,0,0|3,0,0]=4 532 B5R0.4 NCC(F)(F)F 003057 [0,1,0,0,0,0|2,0,0]=3 533 B5R0.4 NCC(F)(F)F 007517 [0,1,0,0,0,0|2,0,0]=3 534 B5R0.4 NCP(=O)(O)O 386319 [0,1,0,0,0,0|2,0,0]=3 535 B5R0.4 NOS(=O)(=O)O 078667 [0,1,0,0,0,0|3,0,0]=4 536 B5R0.4 OCC(Cl)(Cl)Cl 239911 [0,1,0,0,0,0|3,0,0]=4 537 B5R0.4 OCC(F)(F)F 001273 [0,1,0,0,0,0|3,0,0]=4 538 B5R0.4 OCC(F)(F)F 102144 [0,1,0,0,0,0|3,0,0]=4 539 B5R0.4 [C-]#[N+]C(C)(C)C 021022 [0,1,0,0,0,0|3,0,0]=4 540 B5R0.5 BrC(Br)C(Br)Br 106529 [0,1,0,0,0,0|3,0,0]=4 541 B5R0.5 C=C(C)C(N)=O 098987 [0,1,0,0,0,0|1,0,2]=4 542 B5R0.5 CC(=O)C(C)C 098965 [0,1,0,0,0,0|1,0,2]=4 543 B5R0.5 CC(=O)C(C)Cl 520345 [0,1,0,0,0,0|1,0,2]=4 544 B5R0.5 CC(=O)C(C)O 449308 [0,1,0,0,0,0|1,0,1]=3 545 B5R0.5 CC(=O)C(F)F 025165 [0,1,0,0,0,0|1,0,2]=4 546 B5R0.5 CC(Br)C(=O)Br BR1124 [0,1,0,0,0,0|2,0,1]=4 547 B5R0.5 CC(Br)C(=O)O BR1120 [0,1,0,0,0,0|2,0,1]=4 548 B5R0.5 CC(Br)C(C)Br 001074 [0,1,0,0,0,0|2,0,0]=3 549 B5R0.5 CC(Br)C(N)=O 222852 [0,1,0,0,0,0|1,0,1]=3 550 B5R0.5 CC(C)B(O)O 065614 [0,1,0,0,0,0|3,0,0]=4 551 B5R0.5 CC(C)C(=N)N 017191 [0,1,0,0,0,0|1,0,1]=3 552 B5R0.5 CC(C)C(=O)Cl 005019 [0,1,0,0,0,0|2,0,1]=4 553 B5R0.5 CC(C)C(=O)O 099395 [0,1,0,0,0,0|2,0,1]=4 554 B5R0.5 CC(C)C(C)C 101556 [0,1,0,0,0,0|2,0,0]=3 555 B5R0.5 CC(C)C(N)=O 091536 [0,1,0,0,0,0|1,0,1]=3 556 B5R0.5 CC(C)N(C)C 103843 [0,1,0,0,0,0|3,0,0]=4 557 B5R0.5 CC(C)S(=O)[O-] 035599 [0,1,0,0,0,0|3,0,0]=4 558 B5R0.5 CC(C)[N+](=O)[O-] 098355 [0,1,0,0,0,0|3,0,0]=4 559 B5R0.5 CC(Cl)C(=O)Cl 099576 [0,1,0,0,0,0|2,0,1]=4 560 B5R0.5 CC(Cl)C(=O)O 240303 [0,1,0,0,0,0|2,0,1]=4 561 B5R0.5 CC(Cl)C(N)=O 369655 [0,1,0,0,0,0|1,0,1]=3 562 B5R0.5 CC(F)C(=O)O 024847 [0,1,0,0,0,0|2,0,1]=4 563 B5R0.5 CC(N)C(=O)O 094978 [0,1,0,0,0,0|1,0,1]=3 564 B5R0.5 CC(O)C(=O)O 995229 [0,1,0,0,0,0|1,0,1]=3 565 B5R0.5 CC(O)C(=O)[O-] 492494 [0,1,0,0,0,0|1,0,1]=3 566 B5R0.5 CC(O)C(N)=O 341750 [0,1,0,0,0,0|0,0,1]=2 567 B5R0.5 CC(S)C(=O)O 520330 [0,1,0,0,0,0|1,1,1]=4 568 B5R0.5 CN(C)C(=N)N 094628 [0,1,0,0,0,0|2,0,1]=4 569 B5R0.5 CN(C)C(N)=O 342088 [0,1,0,0,0,0|2,0,1]=4 570 B5R0.5 CN(C)C(N)=S 369470 [0,1,0,0,0,0|2,0,1]=4 571 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [0,1,0,0,0,0|2,0,1]=4 572 B5R0.5 C[C@@H](N)C(=O)O M02932 [0,1,0,0,0,0|1,0,1]=3 573 B5R0.5 C[C@@H](N)C(N)=O 076723 [0,1,0,0,0,0|1,0,1]=3 574 B5R0.5 C[C@@H](O)C(=O)O 208594 [0,1,0,0,0,0|1,0,1]=3 575 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [0,1,0,0,0,0|1,0,1]=3 576 B5R0.5 C[C@@H](O)C(N)=O 094768 [0,1,0,0,0,0|0,0,1]=2 577 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [0,1,0,0,0,0|1,0,0]=2 578 B5R0.5 C[C@H](Br)C(=O)O 094052 [0,1,0,0,0,0|2,0,1]=4 579 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [0,1,0,0,0,0|2,0,0]=3 580 B5R0.5 C[C@H](Cl)C(=O)O 216004 [0,1,0,0,0,0|2,0,1]=4 581 B5R0.5 C[C@H](N)C(=O)O 080323 [0,1,0,0,0,0|1,0,1]=3 582 B5R0.5 C[C@H](N)C(N)=O 092189 [0,1,0,0,0,0|1,0,1]=3 583 B5R0.5 C[C@H](O)C(=O)O 103316 [0,1,0,0,0,0|1,0,1]=3 584 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [0,1,0,0,0,0|1,0,1]=3 585 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [0,1,0,0,0,0|1,0,0]=2 586 B5R0.5 C[C@H](O)[C@H](C)O 044770 [0,1,0,0,0,0|1,0,0]=2 587 B5R0.5 ClC(Cl)C(Cl)Cl 349292 [0,1,0,0,0,0|3,0,0]=4 588 B5R0.5 N=C(N)S(=O)O 358143 [0,1,0,0,0,0|2,0,1]=4 589 B5R0.5 NC(=O)C(=O)O 240454 [0,1,0,0,0,0|1,0,2]=4 590 B5R0.5 NC(=O)C(F)Cl 038384 [0,1,0,0,0,0|2,0,1]=4 591 B5R0.5 NC(=O)C(F)F 033531 [0,1,0,0,0,0|2,0,1]=4 592 B5R0.5 O=C(O)C(Br)Br 103029 [0,1,0,0,0,0|2,0,1]=4 593 B5R0.5 O=C(O)C(Cl)Cl 095059 [0,1,0,0,0,0|2,0,1]=4 594 B5R0.5 O=C(O)C(F)F 001231 [0,1,0,0,0,0|2,0,1]=4 595 B5R0.5 O=C(O)C(F)F 019092 [0,1,0,0,0,0|2,0,1]=4 596 B5R0.5 O=C(O)C(O)O 143700 [0,1,0,0,0,0|2,0,1]=4 597 B5R1.2 BrC1COC1 107040 [0,0,0,1,0,0|2,0,0]=3 598 B5R1.2 BrC1COC1 223475 [0,0,0,1,0,0|2,0,0]=3 599 B5R1.2 IC1COC1 242158 [0,0,0,1,0,0|2,0,0]=3 600 B5R1.2 NC1CCC1 003370 [0,0,0,1,0,0|2,0,0]=3 601 B5R1.2 NC1COC1 320095 [0,0,0,1,0,0|2,0,0]=3 602 B5R1.2 O=C1CCC1 033237 [0,0,0,1,0,0|1,0,2]=4 603 B5R1.2 O=C1CCO1 167800 [0,0,0,1,0,0|2,0,1]=4 604 B5R1.2 O=C1COC1 044814 [0,0,0,1,0,0|1,0,2]=4 605 B5R1.2 OC1CCC1 003407 [0,0,0,1,0,0|1,0,0]=2 606 B5R1.2 OC1CNC1 013898 [0,0,0,1,0,0|0,0,0]=1 607 B5R1.2 OC1COC1 069085 [0,0,0,1,0,0|1,0,0]=2 608 B5R1.3 BrCC1CC1 003713 [0,0,0,1,0,0|2,0,0]=3 609 B5R1.3 BrCC1CO1 BR1167 [0,0,0,1,0,0|1,0,0]=2 610 B5R1.3 C#CC1CC1 358398 [0,0,0,1,0,0|2,0,1]=4 611 B5R1.3 CCC1CO1 046729 [0,0,0,1,0,0|1,0,0]=2 612 B5R1.3 ClCC1CC1 049157 [0,0,0,1,0,0|2,0,0]=3 613 B5R1.3 ClCC1CO1 095340 [0,0,0,1,0,0|1,0,0]=2 614 B5R1.3 ClC[C@@H]1CO1 023907 [0,0,0,1,0,0|1,0,0]=2 615 B5R1.3 ClC[C@H]1CO1 023906 [0,0,0,1,0,0|1,0,0]=2 616 B5R1.3 ICC1CC1 062968 [0,0,0,1,0,0|2,0,0]=3 617 B5R1.3 N#CC1CC1 005110 [0,0,0,1,0,0|1,0,2]=4 618 B5R1.3 NCC1CC1 044419 [0,0,0,1,0,0|1,0,0]=2 619 B5R1.3 NCC1CC1 329340 [0,0,0,1,0,0|1,0,0]=2 620 B5R1.3 O=CC1CC1 065337 [0,0,0,1,0,0|2,0,1]=4 621 B5R1.3 OCC1CC1 003372 [0,0,0,1,0,0|2,0,0]=3 622 B5R1.3 OCC1CO1 349304 [0,0,0,1,0,0|1,0,0]=2 623 B5R1.3 OC[C@@H]1CO1 208588 [0,0,0,1,0,0|1,0,0]=2 624 B5R1.3 OC[C@H]1CO1 091841 [0,0,0,1,0,0|1,0,0]=2 625 B5R1.5 CC1(C)CO1 150500 [0,0,0,1,0,0|2,0,0]=3 626 B2R0.1 BrCBr 098925 [2,0,0,0,0,0|2,0,0]=4 627 B2R0.1 CC#N 035906 [2,0,0,0,0,0|0,0,2]=4 628 B2R0.1 CC#N 046131 [2,0,0,0,0,0|0,0,2]=4 629 B2R0.1 CC#N 099891 [2,0,0,0,0,0|0,0,2]=4 630 B2R0.1 CC#N 102928 [2,0,0,0,0,0|0,0,2]=4 631 B2R0.1 CC#N 105527 [2,0,0,0,0,0|0,0,2]=4 632 B2R0.1 CC#N 995231 [2,0,0,0,0,0|0,0,2]=4 633 B2R0.1 CCBr 099072 [2,0,0,0,0,0|1,0,0]=3 634 B2R0.1 CCI 043865 [2,0,0,0,0,0|1,0,0]=3 635 B2R0.1 CCO 098441 [2,0,0,0,0,0|0,0,0]=2 636 B2R0.1 CCS 094484 [2,0,0,0,0,0|0,1,0]=3 637 B2R0.1 CC[Mg+] 102036 [2,0,0,0,0,0|1,0,0]=3 638 B2R0.1 CC[O-] 098858 [2,0,0,0,0,0|0,0,1]=3 639 B2R0.1 CC[O-] 099616 [2,0,0,0,0,0|0,0,1]=3 640 B2R0.1 CC[O-] 101878 [2,0,0,0,0,0|0,0,1]=3 641 B2R0.1 CC[O-] 103437 [2,0,0,0,0,0|0,0,1]=3 642 B2R0.1 CC[S-] 513565 [2,0,0,0,0,0|0,1,0]=3 643 B2R0.1 CNC 005043 [2,0,0,0,0,0|1,0,0]=3 644 B2R0.1 CNC 043439 [2,0,0,0,0,0|1,0,0]=3 645 B2R0.1 CNC 044754 [2,0,0,0,0,0|1,0,0]=3 646 B2R0.1 CNC 051280 [2,0,0,0,0,0|1,0,0]=3 647 B2R0.1 CNC 094464 [2,0,0,0,0,0|1,0,0]=3 648 B2R0.1 CNC 099111 [2,0,0,0,0,0|1,0,0]=3 649 B2R0.1 CNC 102391 [2,0,0,0,0,0|1,0,0]=3 650 B2R0.1 CNN 098853 [2,0,0,0,0,0|1,0,0]=3 651 B2R0.1 CNO 216314 [2,0,0,0,0,0|1,0,0]=3 652 B2R0.1 COC 106294 [2,0,0,0,0,0|1,0,0]=3 653 B2R0.1 CON 078603 [2,0,0,0,0,0|1,0,0]=3 654 B2R0.1 CON 102867 [2,0,0,0,0,0|1,0,0]=3 655 B2R0.1 CON 103750 [2,0,0,0,0,0|1,0,0]=3 656 B2R0.1 CSC 043438 [2,0,0,0,0,0|1,0,0]=3 657 B2R0.1 CSC 094888 [2,0,0,0,0,0|1,0,0]=3 658 B2R0.1 CSC 097632 [2,0,0,0,0,0|1,0,0]=3 659 B2R0.1 C[Mg]Br 102010 [2,0,0,0,0,0|2,0,0]=4 660 B2R0.1 C[Mg]Cl 051152 [2,0,0,0,0,0|2,0,0]=4 661 B2R0.1 ClCCl 035912 [2,0,0,0,0,0|2,0,0]=4 662 B2R0.1 ClCCl 044694 [2,0,0,0,0,0|2,0,0]=4 663 B2R0.1 ClCCl 099900 [2,0,0,0,0,0|2,0,0]=4 664 B2R0.1 ClCI 067664 [2,0,0,0,0,0|2,0,0]=4 665 B2R0.1 ICI 043330 [2,0,0,0,0,0|2,0,0]=4 666 B2R0.1 N#CN 094456 [2,0,0,0,0,0|1,0,1]=4 667 B2R0.1 N=CN 091852 [2,0,0,0,0,0|1,0,1]=4 668 B2R0.1 NC=O 099032 [2,0,0,0,0,0|0,0,2]=4 669 B2R0.1 NC=O 099410 [2,0,0,0,0,0|0,0,2]=4 670 B2R0.1 O=CO 080324 [2,0,0,0,0,0|1,0,1]=4 671 B2R0.1 O=CO 093996 [2,0,0,0,0,0|1,0,1]=4 672 B2R0.1 O=CO 105096 [2,0,0,0,0,0|1,0,1]=4 673 B2R0.1 O=CO 105523 [2,0,0,0,0,0|1,0,1]=4 674 B2R0.1 O[Ba]O 098840 [2,0,0,0,0,0|2,0,0]=4 675 B2R0.1 O[Pd]O 075132 [2,0,0,0,0,0|2,0,0]=4 676 B2R0.1 [2H]OC 105206 [2,0,0,0,0,0|2,0,0]=4 677 B4R0.2 BrCCCBr 003830 [1,1,0,0,0,0|1,0,0]=3 678 B4R0.2 C#CCCBr 093952 [1,1,0,0,0,0|1,0,1]=4 679 B4R0.2 C#CCCC 164100 [1,1,0,0,0,0|1,0,0]=3 680 B4R0.2 C#CCCN 235851 [1,1,0,0,0,0|0,0,1]=3 681 B4R0.2 C#CCCO 009077 [1,1,0,0,0,0|1,0,0]=3 682 B4R0.2 C#CCOC 044755 [1,1,0,0,0,0|1,0,1]=4 683 B4R0.2 C#COCC 050428 [1,1,0,0,0,0|1,0,1]=4 684 B4R0.2 C=CCCBr 010654 [1,1,0,0,0,0|1,0,1]=4 685 B4R0.2 C=CCCCl 106339 [1,1,0,0,0,0|1,0,1]=4 686 B4R0.2 C=CCCI 103032 [1,1,0,0,0,0|1,0,1]=4 687 B4R0.2 C=CCCO 114900 [1,1,0,0,0,0|1,0,0]=3 688 B4R0.2 C=CCNC 069326 [1,1,0,0,0,0|0,0,2]=4 689 B4R0.2 C=CCON 471484 [1,1,0,0,0,0|0,0,2]=4 690 B4R0.2 C=CCSC 106338 [1,1,0,0,0,0|1,0,1]=4 691 B4R0.2 CC#CCBr 009057 [1,1,0,0,0,0|1,0,1]=4 692 B4R0.2 CC#CCO 009076 [1,1,0,0,0,0|1,0,1]=4 693 B4R0.2 CCCC#N 046731 [1,1,0,0,0,0|0,0,1]=3 694 B4R0.2 CCCC=O 094987 [1,1,0,0,0,0|1,0,0]=3 695 B4R0.2 CCCCBr 098944 [1,1,0,0,0,0|1,0,0]=3 696 B4R0.2 CCCCC 995196 [1,1,0,0,0,0|1,0,0]=3 697 B4R0.2 CCCCI 094442 [1,1,0,0,0,0|1,0,0]=3 698 B4R0.2 CCCCN 094792 [1,1,0,0,0,0|0,0,0]=2 699 B4R0.2 CCCCO 035921 [1,1,0,0,0,0|1,0,0]=3 700 B4R0.2 CCCCO 075156 [1,1,0,0,0,0|1,0,0]=3 701 B4R0.2 CCCCO 101601 [1,1,0,0,0,0|1,0,0]=3 702 B4R0.2 CCCCS 046727 [1,1,0,0,0,0|1,0,0]=3 703 B4R0.2 CCCC[Mg+] 102041 [1,1,0,0,0,0|1,0,0]=3 704 B4R0.2 CCCC[S-] 104802 [1,1,0,0,0,0|1,0,0]=3 705 B4R0.2 CCCNC 056258 [1,1,0,0,0,0|0,0,0]=2 706 B4R0.2 CCN=C=S 053245 [1,1,0,0,0,0|1,0,1]=4 707 B4R0.2 CCNC=O 099258 [1,1,0,0,0,0|1,0,1]=4 708 B4R0.2 CCNCC 043314 [1,1,0,0,0,0|1,0,0]=3 709 B4R0.2 CCNCC 129100 [1,1,0,0,0,0|1,0,0]=3 710 B4R0.2 CCOC=N 099169 [1,1,0,0,0,0|0,0,2]=4 711 B4R0.2 CCOC=O 044728 [1,1,0,0,0,0|1,0,1]=4 712 B4R0.2 CCOCC 075236 [1,1,0,0,0,0|1,0,0]=3 713 B4R0.2 CCOCC 099494 [1,1,0,0,0,0|1,0,0]=3 714 B4R0.2 CCOCC 101608 [1,1,0,0,0,0|1,0,0]=3 715 B4R0.2 CCOCC 105564 [1,1,0,0,0,0|1,0,0]=3 716 B4R0.2 CCOCCl 005431 [1,1,0,0,0,0|1,0,0]=3 717 B4R0.2 CC[SiH2]CC S06500 [1,1,0,0,0,0|1,0,0]=3 718 B4R0.2 CC[Zn]CC 098867 [1,1,0,0,0,0|1,0,0]=3 719 B4R0.2 CC[Zn]CC 098978 [1,1,0,0,0,0|1,0,0]=3 720 B4R0.2 CNCC#N 078723 [1,1,0,0,0,0|0,0,2]=4 721 B4R0.2 CNCC#N 238940 [1,1,0,0,0,0|0,0,2]=4 722 B4R0.2 CNCCN 094592 [1,1,0,0,0,0|0,0,0]=2 723 B4R0.2 CNCCO 095022 [1,1,0,0,0,0|0,0,0]=2 724 B4R0.2 COCC#N 002451 [1,1,0,0,0,0|0,0,2]=4 725 B4R0.2 COCCBr 005433 [1,1,0,0,0,0|1,0,0]=3 726 B4R0.2 COCCN 046846 [1,1,0,0,0,0|0,0,0]=2 727 B4R0.2 COCCO 043320 [1,1,0,0,0,0|1,0,0]=3 728 B4R0.2 COCCO 102150 [1,1,0,0,0,0|1,0,0]=3 729 B4R0.2 COCOC 094560 [1,1,0,0,0,0|2,0,0]=4 730 B4R0.2 CSCCCl 044921 [1,1,0,0,0,0|1,0,0]=3 731 B4R0.2 CSCCO 003087 [1,1,0,0,0,0|1,0,0]=3 732 B4R0.2 C\C=C\CBr 103776 [1,1,0,0,0,0|1,0,1]=4 733 B4R0.2 C\C=C\CO 103771 [1,1,0,0,0,0|1,0,1]=4 734 B4R0.2 ClCCCBr 094507 [1,1,0,0,0,0|1,0,0]=3 735 B4R0.2 ClCCCCl 101461 [1,1,0,0,0,0|1,0,0]=3 736 B4R0.2 ClCCCI 001486 [1,1,0,0,0,0|1,0,0]=3 737 B4R0.2 ClCSCCl 108200 [1,1,0,0,0,0|2,0,0]=4 738 B4R0.2 FCCCI 095368 [1,1,0,0,0,0|1,0,0]=3 739 B4R0.2 ICCCI 003098 [1,1,0,0,0,0|1,0,0]=3 740 B4R0.2 N#CCCBr 227728 [1,1,0,0,0,0|0,0,2]=4 741 B4R0.2 N#CCCCl 076020 [1,1,0,0,0,0|0,0,2]=4 742 B4R0.2 N#CCCI 101901 [1,1,0,0,0,0|0,0,2]=4 743 B4R0.2 N#CCCN 105100 [1,1,0,0,0,0|0,0,1]=3 744 B4R0.2 N#CCCO 005000 [1,1,0,0,0,0|0,0,1]=3 745 B4R0.2 NCCCBr 079493 [1,1,0,0,0,0|0,0,0]=2 746 B4R0.2 NCCCCl 095817 [1,1,0,0,0,0|0,0,0]=2 747 B4R0.2 NCCCN 094590 [1,1,0,0,0,0|0,0,0]=2 748 B4R0.2 NCCCO 099680 [1,1,0,0,0,0|0,0,0]=2 749 B4R0.2 NNCCO 069293 [1,1,0,0,0,0|0,0,0]=2 750 B4R0.2 OCCCBr 047460 [1,1,0,0,0,0|1,0,0]=3 751 B4R0.2 OCCCCl 024840 [1,1,0,0,0,0|1,0,0]=3 752 B4R0.2 OCCCF 010306 [1,1,0,0,0,0|1,0,0]=3 753 B4R0.2 OCCCI 002583 [1,1,0,0,0,0|1,0,0]=3 754 B4R0.2 OCCCO 095066 [1,1,0,0,0,0|1,0,0]=3 755 B4R0.2 SCCCCl 099136 [1,1,0,0,0,0|1,0,0]=3 756 B4R0.2 SCCCS 101936 [1,1,0,0,0,0|1,0,0]=3 757 B4R0.2 [Li]CCCC 044819 [1,1,0,0,0,0|1,0,0]=3 758 B4R0.3 CC(C)(C)Br 001130 [1,1,0,0,0,0|1,0,0]=3 759 B4R0.3 CC(C)(C)Cl 098402 [1,1,0,0,0,0|1,0,0]=3 760 B4R0.3 CC(C)(C)I 099993 [1,1,0,0,0,0|1,0,0]=3 761 B4R0.3 CC(C)(C)N 115200 [1,1,0,0,0,0|1,0,0]=3 762 B4R0.3 CC(C)(C)O 099337 [1,1,0,0,0,0|0,0,0]=2 763 B4R0.3 CC(C)(C)O 101619 [1,1,0,0,0,0|0,0,0]=2 764 B4R0.3 CC(C)(C)O 114800 [1,1,0,0,0,0|0,0,0]=2 765 B4R0.3 CC(C)(C)S 098849 [1,1,0,0,0,0|0,1,0]=3 766 B4R0.3 CC(C)(C)[NH3+] 180020 [1,1,0,0,0,0|1,0,0]=3 767 B4R0.3 CC(C)(C)[O-] 075285 [1,1,0,0,0,0|0,0,1]=3 768 B4R0.3 CC(C)(C)[O-] 094715 [1,1,0,0,0,0|0,0,1]=3 769 B4R0.3 CC(C)(C)[O-] 098876 [1,1,0,0,0,0|0,0,1]=3 770 B4R0.3 CC(C)(C)[O-] 099909 [1,1,0,0,0,0|0,0,1]=3 771 B4R0.3 CC(C)(C)[O-] 099913 [1,1,0,0,0,0|0,0,1]=3 772 B4R0.3 CC(C)(C)[O-] 101995 [1,1,0,0,0,0|0,0,1]=3 773 B4R0.3 CC(C)(C)[O-] 101996 [1,1,0,0,0,0|0,0,1]=3 774 B4R0.3 CC(C)(C)[O-] 102718 [1,1,0,0,0,0|0,0,1]=3 775 B4R0.3 CC(C)(C)[O-] 102924 [1,1,0,0,0,0|0,0,1]=3 776 B4R0.3 CC(C)(C)[O-] 102975 [1,1,0,0,0,0|0,0,1]=3 777 B4R0.3 CC(C)(C)[O-] 166800 [1,1,0,0,0,0|0,0,1]=3 778 B4R0.3 CC(C)(C)[S-] 094744 [1,1,0,0,0,0|0,1,0]=3 779 B4R0.3 CS(=O)(=O)O 104028 [1,1,0,0,0,0|2,0,0]=4 780 B4R0.3 CS(=O)(=O)O 152800 [1,1,0,0,0,0|2,0,0]=4 781 B4R0.3 CS(C)(=O)=O 358427 [1,1,0,0,0,0|1,0,1]=4 782 B4R0.3 CS(N)(=O)=O 003505 [1,1,0,0,0,0|1,0,1]=4 783 B4R0.3 C[N+](C)(C)C 007410 [1,1,0,0,0,0|2,0,0]=4 784 B4R0.3 C[N+](C)(C)C 094874 [1,1,0,0,0,0|2,0,0]=4 785 B4R0.3 C[N+](C)(C)C 235638 [1,1,0,0,0,0|2,0,0]=4 786 B4R0.3 C[N+](C)(C)C 235648 [1,1,0,0,0,0|2,0,0]=4 787 B4R0.3 C[N+](C)(C)C 243001 [1,1,0,0,0,0|2,0,0]=4 788 B4R0.3 C[N+](C)(C)C 243005 [1,1,0,0,0,0|2,0,0]=4 789 B4R0.3 C[N+](C)(C)C 243009 [1,1,0,0,0,0|2,0,0]=4 790 B4R0.3 C[N+](C)(C)C 245926 [1,1,0,0,0,0|2,0,0]=4 791 B4R0.3 C[N+](C)(C)C 494404 [1,1,0,0,0,0|2,0,0]=4 792 B4R0.3 C[N+](C)(C)N 180739 [1,1,0,0,0,0|2,0,0]=4 793 B4R0.3 C[N+](C)(C)[O-] 099503 [1,1,0,0,0,0|1,0,1]=4 794 B4R0.3 C[S+](C)(C)=O 053301 [1,1,0,0,0,0|1,0,1]=4 795 B4R0.3 C[S+](C)(C)=O 175100 [1,1,0,0,0,0|1,0,1]=4 796 B4R0.3 C[Si](C)(C)Br S03130 [1,1,0,0,0,0|1,1,0]=4 797 B4R0.3 C[Si](C)(C)C 245777 [1,1,0,0,0,0|1,1,0]=4 798 B4R0.3 C[Si](C)(C)C S16225 [1,1,0,0,0,0|1,1,0]=4 799 B4R0.3 C[Si](C)(C)Cl 005289 [1,1,0,0,0,0|1,1,0]=4 800 B4R0.3 C[Si](C)(C)I 002677 [1,1,0,0,0,0|1,1,0]=4 801 B4R0.3 C[Si](C)(C)O 078729 [1,1,0,0,0,0|0,1,0]=3 802 B4R0.3 C[Si](C)(C)[O-] 097626 [1,1,0,0,0,0|0,1,1]=4 803 B4R0.3 C[Si](C)(C)[O-] S15125 [1,1,0,0,0,0|0,1,1]=4 804 B4R0.3 C[Si](C)(C)[O-] S25261 [1,1,0,0,0,0|0,1,1]=4 805 B4R0.3 C[Si]([O-])(O)O S15050 [1,1,0,0,0,0|1,1,0]=4 806 B4R0.3 C[Sn](C)(C)C 095068 [1,1,0,0,0,0|2,0,0]=4 807 B4R0.3 NS(=O)(=O)O 093965 [1,1,0,0,0,0|2,0,0]=4 808 B4R0.3 NS(=O)(=O)O 103807 [1,1,0,0,0,0|2,0,0]=4 809 B6R0.1 C(=O)CC(C)SC 002806 [0,2,0,0,0,0|1,1,0]=4 810 B6R0.1 C=CC(O)CCC 241561 [0,2,0,0,0,0|1,0,1]=4 811 B6R0.1 CCC(C)N=C=O 365573 [0,2,0,0,0,0|1,0,1]=4 812 B6R0.1 CCC(C)N=C=S 008753 [0,2,0,0,0,0|1,1,0]=4 813 B6R0.1 CCC(C)SC#N 024156 [0,2,0,0,0,0|1,1,0]=4 814 B6R0.1 CCC(N)CCN 479098 [0,2,0,0,0,0|1,0,0]=3 815 B6R0.1 CCC(N)COC 046850 [0,2,0,0,0,0|2,0,0]=4 816 B6R0.1 CCC(O)COC 375173 [0,2,0,0,0,0|1,0,0]=3 817 B6R0.1 CCCC(C)C=O 520881 [0,2,0,0,0,0|1,0,1]=4 818 B6R0.1 CCCC(O)CO 242929 [0,2,0,0,0,0|1,0,0]=3 819 B6R0.1 CCNC(=O)CN 075036 [0,2,0,0,0,0|0,0,2]=4 820 B6R0.1 CCOC(=O)CN 094472 [0,2,0,0,0,0|0,0,2]=4 821 B6R0.1 CCO\C(C)=N/O 036372 [0,2,0,0,0,0|1,0,1]=4 822 B6R0.1 CC[C@@H](N)CC#N 012701 [0,2,0,0,0,0|1,0,1]=4 823 B6R0.1 CC[C@H](N)CC#N 012702 [0,2,0,0,0,0|1,0,1]=4 824 B6R0.1 CNCC(=O)OC M03234 [0,2,0,0,0,0|0,0,2]=4 825 B6R0.1 CNCC(O)CO 208621 [0,2,0,0,0,0|0,0,0]=2 826 B6R0.1 COC(=O)CCN 032703 [0,2,0,0,0,0|0,0,2]=4 827 B6R0.1 C[C@@H](CO)CCN 103282 [0,2,0,0,0,0|0,0,0]=2 828 B6R0.1 N#CC[C@H](O)CCl 092339 [0,2,0,0,0,0|0,0,1]=3 829 B6R0.1 OC(CBr)CCBr BR1637 [0,2,0,0,0,0|1,0,0]=3 830 B6R0.2 CC(=O)CC(C)C 044985 [0,2,0,0,0,0|2,0,0]=4 831 B6R0.2 CC(=O)CC(C)C 102383 [0,2,0,0,0,0|2,0,0]=4 832 B6R0.2 CC(=O)CC(N)=O 444419 [0,2,0,0,0,0|0,0,2]=4 833 B6R0.2 CC(C)CB(O)O 045297 [0,2,0,0,0,0|2,0,0]=4 834 B6R0.2 CC(C)CC(=O)Cl 520885 [0,2,0,0,0,0|2,0,0]=4 835 B6R0.2 CC(C)CC(=O)O 242835 [0,2,0,0,0,0|2,0,0]=4 836 B6R0.2 CC(C)CC(C)N 214337 [0,2,0,0,0,0|1,0,0]=3 837 B6R0.2 CC(C)CC(C)O 242810 [0,2,0,0,0,0|1,0,0]=3 838 B6R0.2 CC(C)CC(N)=O 342138 [0,2,0,0,0,0|1,0,0]=3 839 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,2,0,0,0,0|2,0,0]=4 840 B6R0.2 CC(C)NC(C)C 005001 [0,2,0,0,0,0|2,0,0]=4 841 B6R0.2 CC(C)NC(C)C 995001 [0,2,0,0,0,0|2,0,0]=4 842 B6R0.2 CC(C)NC(N)=O 101565 [0,2,0,0,0,0|1,0,1]=4 843 B6R0.2 CC(C)NC(N)=S 018760 [0,2,0,0,0,0|1,0,1]=4 844 B6R0.2 CC(C)SC(C)C 105009 [0,2,0,0,0,0|2,0,0]=4 845 B6R0.2 CC(Cl)CN(C)C 434039 [0,2,0,0,0,0|1,0,0]=3 846 B6R0.2 CC(N)CC(=O)O 208617 [0,2,0,0,0,0|1,0,1]=4 847 B6R0.2 CC(O)CN(C)C 092070 [0,2,0,0,0,0|0,0,0]=2 848 B6R0.2 CN(C)CC(=O)O 044353 [0,2,0,0,0,0|1,0,1]=4 849 B6R0.2 CN(C)CC(=O)O 216339 [0,2,0,0,0,0|1,0,1]=4 850 B6R0.2 CN(C)CN(C)C 464556 [0,2,0,0,0,0|2,0,0]=4 851 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,2,0,0,0,0|1,0,1]=4 852 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,2,0,0,0,0|1,0,1]=4 853 B6R0.3 C#CC(O)C(C)C 104538 [0,2,0,0,0,0|1,0,1]=4 854 B6R0.3 CC(C)C(=O)CBr 079016 [0,2,0,0,0,0|2,0,0]=4 855 B6R0.3 CC(C)C(=O)NN 019317 [0,2,0,0,0,0|1,0,1]=4 856 B6R0.3 CC(C)C(N)CO 323960 [0,2,0,0,0,0|1,0,0]=3 857 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,2,0,0,0,0|1,0,0]=3 858 B6R0.3 CC(C)[C@H](N)CO M03447 [0,2,0,0,0,0|1,0,0]=3 859 B6R0.3 CC(C)\C(N)=N\O 061505 [0,2,0,0,0,0|1,0,1]=4 860 B6R0.3 CC(CN)C(=O)O 226386 [0,2,0,0,0,0|0,0,0]=2 861 B6R0.3 CCC(=O)C(C)C 386812 [0,2,0,0,0,0|2,0,0]=4 862 B6R0.3 CCC(Br)C(=O)O 242857 [0,2,0,0,0,0|2,0,0]=4 863 B6R0.3 CCC(C)B(O)O 208610 [0,2,0,0,0,0|1,0,0]=3 864 B6R0.3 CCC(C)C(=O)Cl 102938 [0,2,0,0,0,0|1,0,1]=4 865 B6R0.3 CCC(C)C(=O)O 155900 [0,2,0,0,0,0|1,0,0]=3 866 B6R0.3 CCC(C)C(C)O 103328 [0,2,0,0,0,0|1,0,0]=3 867 B6R0.3 CCC(C)C(N)=O 102996 [0,2,0,0,0,0|1,0,1]=4 868 B6R0.3 CCC(N)C(=O)O M01290 [0,2,0,0,0,0|1,0,1]=4 869 B6R0.3 CCC(O)C(C)C 240664 [0,2,0,0,0,0|1,0,0]=3 870 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,2,0,0,0,0|1,0,1]=4 871 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,2,0,0,0,0|1,0,1]=4 872 B6R0.3 CN(C)C(=O)CN 463150 [0,2,0,0,0,0|0,0,2]=4 873 B6R0.3 CNC(=O)C(C)Br 369255 [0,2,0,0,0,0|1,0,1]=4 874 B6R0.3 CNC(=O)C(C)C 541993 [0,2,0,0,0,0|1,0,1]=4 875 B6R0.3 CNC(=O)C(C)Cl 310451 [0,2,0,0,0,0|1,0,1]=4 876 B6R0.3 CNC(C)C(=O)O 075290 [0,2,0,0,0,0|1,0,1]=4 877 B6R0.3 CN[C@@H](C)C(=O)O 075289 [0,2,0,0,0,0|1,0,1]=4 878 B6R0.3 CN[C@H](C)C(=O)O 075291 [0,2,0,0,0,0|1,0,1]=4 879 B6R0.3 COC(=O)C(C)N 003683 [0,2,0,0,0,0|0,0,2]=4 880 B6R0.3 COC(=O)C(C)N 003684 [0,2,0,0,0,0|0,0,2]=4 881 B6R0.3 COC(=O)C(C)O 103470 [0,2,0,0,0,0|1,0,1]=4 882 B6R0.3 COC(=O)[C@@H](C)N 005452 [0,2,0,0,0,0|0,0,2]=4 883 B6R0.3 COC(=O)[C@@H](C)O 219745 [0,2,0,0,0,0|1,0,1]=4 884 B6R0.3 COC(=O)[C@H](C)O 099823 [0,2,0,0,0,0|1,0,1]=4 885 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,2,0,0,0,0|0,0,0]=2 886 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,2,0,0,0,0|1,0,1]=4 887 B6R0.3 NC(CO)C(=O)O 093750 [0,2,0,0,0,0|1,0,1]=4 888 B6R0.3 NC(CS)C(=O)O 241173 [0,2,0,0,0,0|1,0,1]=4 889 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,2,0,0,0,0|0,0,1]=3 890 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,2,0,0,0,0|1,0,1]=4 891 B6R0.3 N[C@@H](CS)C(=O)O 093727 [0,2,0,0,0,0|1,0,1]=4 892 B6R0.3 N[C@@H](CS)C(=O)O 102087 [0,2,0,0,0,0|1,0,1]=4 893 B6R0.3 N[C@@H](CS)C(=O)O 318726 [0,2,0,0,0,0|1,0,1]=4 894 B6R0.3 N[C@@H](CS)C(=O)O M03086 [0,2,0,0,0,0|1,0,1]=4 895 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,2,0,0,0,0|1,0,1]=4 896 B6R0.3 N[C@H](CS)C(=O)O 036386 [0,2,0,0,0,0|1,0,1]=4 897 B6R0.3 N[C@H](CS)C(=O)O 049424 [0,2,0,0,0,0|1,0,1]=4 898 B6R0.3 O=C(O)C(Br)CBr 077984 [0,2,0,0,0,0|2,0,0]=4 899 B6R0.3 O=C(O)C(O)CO 143500 [0,2,0,0,0,0|1,0,1]=4 900 B6R0.4 C=C(C)CNCC 098963 [0,2,0,0,0,0|1,0,1]=4 901 B6R0.4 C=COCC(C)C 103137 [0,2,0,0,0,0|2,0,0]=4 902 B6R0.4 CC(=O)NCCN 226270 [0,2,0,0,0,0|0,0,2]=4 903 B6R0.4 CC(Br)CCCBr 001096 [0,2,0,0,0,0|2,0,0]=4 904 B6R0.4 CC(C)CN=C=O 044447 [0,2,0,0,0,0|1,0,1]=4 905 B6R0.4 CC(C)CN=C=S 008985 [0,2,0,0,0,0|1,0,1]=4 906 B6R0.4 CC(C)CON=O 099090 [0,2,0,0,0,0|1,0,1]=4 907 B6R0.4 CC(C)NCCO 069257 [0,2,0,0,0,0|2,0,0]=4 908 B6R0.4 CC(C)OCCO 150900 [0,2,0,0,0,0|2,0,0]=4 909 B6R0.4 CC(O)CCCO 386330 [0,2,0,0,0,0|1,0,0]=3 910 B6R0.4 CCC#CC(C)O 105445 [0,2,0,0,0,0|1,0,0]=3 911 B6R0.4 CCCCC(C)N 214315 [0,2,0,0,0,0|2,0,0]=4 912 B6R0.4 CCCC[C@@H](C)O 036116 [0,2,0,0,0,0|1,0,0]=3 913 B6R0.4 CN(C)CCCN 094726 [0,2,0,0,0,0|2,0,0]=4 914 B6R0.4 CNCCC(C)C 321590 [0,2,0,0,0,0|1,0,0]=3 915 B6R0.4 CNCCN(C)C 236768 [0,2,0,0,0,0|2,0,0]=4 916 B6R0.4 NCCCC(=O)O 005047 [0,2,0,0,0,0|1,0,1]=4 917 B6R0.5 CC#CC(C)(C)O 103636 [0,2,0,0,0,0|1,0,1]=4 918 B6R0.5 CC(C)(Br)CCBr 105278 [0,2,0,0,0,0|2,0,0]=4 919 B6R0.5 CC(C)(C)CC=O 049850 [0,2,0,0,0,0|2,0,0]=4 920 B6R0.5 CC(C)(C)CCBr 240396 [0,2,0,0,0,0|2,0,0]=4 921 B6R0.5 CC(C)(C)CCI 104243 [0,2,0,0,0,0|2,0,0]=4 922 B6R0.5 CC(C)(C)CCO 092664 [0,2,0,0,0,0|2,0,0]=4 923 B6R0.5 CC(C)(Cl)CCCl 106056 [0,2,0,0,0,0|2,0,0]=4 924 B6R0.5 CC(C)(O)CC#N 372096 [0,2,0,0,0,0|0,0,1]=3 925 B6R0.5 CC(C)(O)CCO 099109 [0,2,0,0,0,0|1,0,0]=3 926 B6R0.5 CCCC(C)(C)O 356177 [0,2,0,0,0,0|1,0,0]=3 927 B6R0.5 CNCC(C)(C)O 323417 [0,2,0,0,0,0|0,0,0]=2 928 B6R0.5 CNCC(F)(F)F 041890 [0,2,0,0,0,0|2,0,0]=4 929 B6R0.5 CNCC(F)(F)F 044280 [0,2,0,0,0,0|2,0,0]=4 930 B6R0.5 COCC(C)(C)N 044656 [0,2,0,0,0,0|2,0,0]=4 931 B6R0.5 COCC(C)(C)O 304271 [0,2,0,0,0,0|1,0,0]=3 932 B6R0.5 CS(=O)(=O)CCN 035902 [0,2,0,0,0,0|1,0,1]=4 933 B6R0.5 NCCC(F)(F)F 007712 [0,2,0,0,0,0|2,0,0]=4 934 B6R0.5 NCCC(F)(F)F 038244 [0,2,0,0,0,0|2,0,0]=4 935 B6R0.5 NCCP(=O)(O)O 240267 [0,2,0,0,0,0|2,0,0]=4 936 B6R0.5 NCCS(=O)(=O)O 094516 [0,2,0,0,0,0|2,0,0]=4 937 B6R0.5 NNCC(F)(F)F 007519 [0,2,0,0,0,0|2,0,0]=4 938 B6R0.8 C#CC(C)(O)C=C 013659 [0,2,0,0,0,0|1,0,1]=4 939 B6R0.8 C#CC(C)(O)CC 506763 [0,2,0,0,0,0|1,0,0]=3 940 B6R0.8 CC(C)(CCl)CCl 134320 [0,2,0,0,0,0|2,0,0]=4 941 B6R0.8 CC(C)(CN)CN 240612 [0,2,0,0,0,0|1,0,0]=3 942 B6R0.8 CC(C)(CN)CO 033048 [0,2,0,0,0,0|0,0,0]=2 943 B6R0.8 CC(C)(CO)CBr 403120 [0,2,0,0,0,0|1,0,0]=3 944 B6R0.8 CC(C)(CO)CO 235831 [0,2,0,0,0,0|1,0,0]=3 945 B6R0.8 CC(N)(CO)CO 098943 [0,2,0,0,0,0|1,0,0]=3 946 B6R0.8 CNC(C)(C)CO 340517 [0,2,0,0,0,0|2,0,0]=4 947 B6R0.8 COC(C)(C)CN 043506 [0,2,0,0,0,0|0,0,0]=2 948 B6R0.8 COC(C)(C)OC 032480 [0,2,0,0,0,0|2,0,0]=4 949 B6R0.9 CCC(C=O)CC 245909 [0,2,0,0,0,0|1,0,1]=4 950 B6R0.9 CCC(CC)CO 093975 [0,2,0,0,0,0|1,0,0]=3 951 B6R0.9 CCC(CC)NN 047022 [0,2,0,0,0,0|2,0,0]=4 952 B6R0.9 CCC(CN)OC 041816 [0,2,0,0,0,0|0,0,0]=2 953 B6R0.9 COC(C=O)OC 105790 [0,2,0,0,0,0|1,0,1]=4 954 B6R0.9 COC(CBr)OC 003454 [0,2,0,0,0,0|1,0,0]=3 955 B6R0.9 COC(CCl)OC 099309 [0,2,0,0,0,0|1,0,0]=3 956 B6R0.9 COC(CN)OC 094452 [0,2,0,0,0,0|0,0,0]=2 957 B6R0.9 COC(OC)OC 095019 [0,2,0,0,0,0|2,0,0]=4 958 B6R0.9 OCC(CO)CO 222829 [0,2,0,0,0,0|1,0,0]=3 959 B6R0.7 CC(=O)C(C)(C)O 092081 [0,2,0,0,0,0|1,0,1]=4 960 B6R0.7 CC(C)(Br)C(N)=O 323860 [0,2,0,0,0,0|1,0,1]=4 961 B6R0.7 CC(C)(C)C(=N)N 069303 [0,2,0,0,0,0|1,0,1]=4 962 B6R0.7 CC(C)(C)C(N)=O 093938 [0,2,0,0,0,0|1,0,1]=4 963 B6R0.7 CC(C)(C)C(N)=S 044516 [0,2,0,0,0,0|1,0,1]=4 964 B6R0.7 CC(C)(C)S(N)=O 034514 [0,2,0,0,0,0|2,0,0]=4 965 B6R0.7 CC(C)(C)[S@@](N)=O 034299 [0,2,0,0,0,0|2,0,0]=4 966 B6R0.7 CC(C)(C)[S@@](N)=O 102733 [0,2,0,0,0,0|2,0,0]=4 967 B6R0.7 CC(C)(C)[S@](N)=O 040040 [0,2,0,0,0,0|2,0,0]=4 968 B6R0.7 CC(C)(F)C(N)=O 062794 [0,2,0,0,0,0|1,0,1]=4 969 B6R0.7 CC(C)(N)C(=O)O 078899 [0,2,0,0,0,0|1,0,1]=4 970 B6R0.7 CC(C)(O)C(=O)O 214584 [0,2,0,0,0,0|1,0,1]=4 971 B6R0.7 CC(C)S(N)(=O)=O 230484 [0,2,0,0,0,0|2,0,0]=4 972 B6R0.7 CC(F)(F)C(N)=O 037202 [0,2,0,0,0,0|1,0,1]=4 973 B6R0.7 CC(N)C(F)(F)F 043368 [0,2,0,0,0,0|2,0,0]=4 974 B6R0.7 CC(N)C(F)(F)F 093834 [0,2,0,0,0,0|2,0,0]=4 975 B6R0.7 CC(O)C(C)(C)C 103394 [0,2,0,0,0,0|1,0,0]=3 976 B6R0.7 CC(O)C(F)(F)F 001252 [0,2,0,0,0,0|1,0,0]=3 977 B6R0.7 C[C@@H](N)C(F)(F)F 044271 [0,2,0,0,0,0|2,0,0]=4 978 B6R0.7 C[C@@H](N)C(F)(F)F 093835 [0,2,0,0,0,0|2,0,0]=4 979 B6R0.7 C[C@H](N)C(F)(F)F 044272 [0,2,0,0,0,0|2,0,0]=4 980 B6R0.7 C[C@H](N)C(F)(F)F 093836 [0,2,0,0,0,0|2,0,0]=4 981 B6R0.7 OC(O)C(F)(F)F 044404 [0,2,0,0,0,0|2,0,0]=4 982 B4R1.1 C1CNC1 036832 [1,0,0,1,0,0|0,0,0]=2 983 B4R1.2 BrC1CC1 003373 [1,0,0,1,0,0|1,0,0]=3 984 B4R1.2 CC1CN1 099002 [1,0,0,1,0,0|0,0,0]=2 985 B4R1.2 CC1CO1 099315 [1,0,0,1,0,0|1,0,0]=3 986 B4R1.2 C[C@@H]1CO1 044883 [1,0,0,1,0,0|1,0,0]=3 987 B4R1.2 C[C@H]1CO1 216312 [1,0,0,1,0,0|1,0,0]=3 988 B4R1.2 NC1CC1 003712 [1,0,0,1,0,0|0,0,0]=2 989 B6R1.2 BrC1CCCC1 021866 [0,1,0,1,0,0|2,0,0]=4 990 B6R1.2 BrC1CCNC1 211447 [0,1,0,1,0,0|1,0,0]=3 991 B6R1.2 CC1=NCCO1 099141 [0,1,0,1,0,0|1,0,1]=4 992 B6R1.2 CC1CCCC1 101560 [0,1,0,1,0,0|2,0,0]=4 993 B6R1.2 CC1CCCO1 094054 [0,1,0,1,0,0|1,0,0]=3 994 B6R1.2 ClC1CCCC1 098808 [0,1,0,1,0,0|2,0,0]=4 995 B6R1.2 F[C@@H]1CCNC1 013156 [0,1,0,1,0,0|1,0,0]=3 996 B6R1.2 F[C@H]1CCNC1 013157 [0,1,0,1,0,0|1,0,0]=3 997 B6R1.2 IC1CCCC1 097746 [0,1,0,1,0,0|2,0,0]=4 998 B6R1.2 NC1CC=CC1 011352 [0,1,0,1,0,0|2,0,0]=4 999 B6R1.2 NC1CCCC1 049405 [0,1,0,1,0,0|2,0,0]=4 1000 B6R1.2 NC1CCNC1 024526 [0,1,0,1,0,0|1,0,0]=3 1001 B6R1.2 NC1CCOC1 208592 [0,1,0,1,0,0|2,0,0]=4 1002 B6R1.2 O=C1CCNC1 078709 [0,1,0,1,0,0|0,0,2]=4 1003 B6R1.2 O=C1CNCN1 079854 [0,1,0,1,0,0|0,0,2]=4 1004 B6R1.2 OC1CC=CC1 011661 [0,1,0,1,0,0|1,0,0]=3 1005 B6R1.2 OC1CCCC1 044840 [0,1,0,1,0,0|1,0,0]=3 1006 B6R1.2 OC1CCNC1 011341 [0,1,0,1,0,0|0,0,0]=2 1007 B6R1.2 OC1CCOC1 005327 [0,1,0,1,0,0|1,0,0]=3 1008 B6R1.2 O[C@@H]1CCNC1 076549 [0,1,0,1,0,0|0,0,0]=2 1009 B6R1.2 O[C@@H]1CCOC1 093765 [0,1,0,1,0,0|1,0,0]=3 1010 B6R1.2 O[C@H]1CCNC1 011760 [0,1,0,1,0,0|0,0,0]=2 1011 B6R1.2 O[C@H]1CCNC1 093058 [0,1,0,1,0,0|0,0,0]=2 1012 B6R1.2 O[C@H]1CCOC1 078070 [0,1,0,1,0,0|1,0,0]=3 1013 B6R1.2 SC1CCCC1 075248 [0,1,0,1,0,0|1,1,0]=4 1014 B6R1.3 CNCC1CC1 065548 [0,1,0,1,0,0|1,0,0]=3 1015 B6R1.3 N#CCC1CC1 003711 [0,1,0,1,0,0|1,0,1]=4 1016 B6R1.10 CC1(N)CCC1 041889 [0,1,0,1,0,0|2,0,0]=4 1017 B6R1.10 FC1(F)CNC1 013896 [0,1,0,1,0,0|1,0,0]=3 1018 B6R1.11 CC(N)C1CC1 095360 [0,1,0,1,0,0|1,0,0]=3 1019 B6R1.11 CC(O)C1CC1 354573 [0,1,0,1,0,0|1,0,0]=3 1020 B6R1.11 N=C(N)C1CC1 017190 [0,1,0,1,0,0|1,0,1]=4 1021 B6R1.11 NC(=O)C1CC1 079247 [0,1,0,1,0,0|1,0,1]=4 1022 B6R1.6 BrCC1CCC1 067868 [0,1,0,1,0,0|2,0,0]=4 1023 B6R1.6 COC1CNC1 077415 [0,1,0,1,0,0|0,0,0]=2 1024 B6R1.6 ICC1CCC1 099276 [0,1,0,1,0,0|2,0,0]=4 1025 B6R1.6 N#CC1CCC1 003364 [0,1,0,1,0,0|2,0,0]=4 1026 B6R1.6 OCC1CCC1 009111 [0,1,0,1,0,0|1,0,0]=3 1027 B6R1.6 OCC1CNC1 078174 [0,1,0,1,0,0|0,0,0]=2 1028 B6R1.7 CC1(CCl)CO1 067862 [0,1,0,1,0,0|1,0,0]=3