0 B4R0.1 C#CC(=O)O 167900 [0,0,0,0,0,0|0,0,2]=2 1 B4R0.1 C#CC(C)=O 009078 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.1 C#CC(C)O 117510 [0,0,0,0,0,0|1,0,3]=4 3 B4R0.1 C#C[C@@H](C)O 093946 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C#C[C@H](C)O 103262 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.1 C=C(C)C=O 533380 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C=C(C)CBr 067665 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C=C(C)CCl 094695 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 C=C(C)CO 358232 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 C=C(C)CS 038481 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C=C(C)OC 032479 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 C=C(Cl)CCl 003399 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 C=CC(=O)O 099597 [0,0,0,0,0,0|0,0,2]=2 13 B4R0.1 C=CC(C)=O 099068 [0,0,0,0,0,0|1,0,2]=3 14 B4R0.1 C=CC(C)O 099331 [0,0,0,0,0,0|1,0,3]=4 15 B4R0.1 C=CC(N)=O 047867 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 C=CC(N)=O 104581 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 CC(=O)C=O 069255 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CC(=O)CCl 099980 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 CC(=O)CN 078537 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 CC(=O)CO 097598 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CC(=O)NN 049751 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.1 CC(=O)NO 078547 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 CC(=O)OO 102863 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.1 CC(=O)O[TlH2] 044421 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 CC(C)=NO 100400 [0,0,0,0,0,0|4,0,0]=4 26 B4R0.1 CC(C)CBr 097876 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 CC(C)CI 005441 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 CC(C)CN 094648 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CC(C)CO 098794 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 CC(C)CS 097785 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CC(Cl)CCl 094620 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CC(N)CN 094789 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 CC(N)CO 092185 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 CC(O)CBr 001137 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.1 CC(O)CN 099022 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.1 CC(O)CO 492646 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.1 CC=C(C)C 102641 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 CCB(O)O 065613 [0,0,0,0,0,0|1,0,1]=2 39 B4R0.1 CCC(=O)Br BR1194 [0,0,0,0,0,0|1,0,0]=1 40 B4R0.1 CCC(=O)Cl 098881 [0,0,0,0,0,0|1,0,0]=1 41 B4R0.1 CCC(=O)O 098214 [0,0,0,0,0,0|0,0,0]=0 42 B4R0.1 CCC(=O)O 104856 [0,0,0,0,0,0|0,0,0]=0 43 B4R0.1 CCC(=O)[O-] 105990 [0,0,0,0,0,0|0,0,1]=1 44 B4R0.1 CCC(=O)[O-] 106505 [0,0,0,0,0,0|0,0,1]=1 45 B4R0.1 CCC(C)=O 046806 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 CCC(C)=O 075238 [0,0,0,0,0,0|1,0,0]=1 47 B4R0.1 CCC(C)=O 101973 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 CCC(C)=O 102570 [0,0,0,0,0,0|1,0,0]=1 49 B4R0.1 CCC(C)Br 110100 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 CCC(C)C 105976 [0,0,0,0,0,0|2,0,1]=3 51 B4R0.1 CCC(C)I 099306 [0,0,0,0,0,0|2,0,1]=3 52 B4R0.1 CCC(C)N 094534 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.1 CCC(C)O 080268 [0,0,0,0,0,0|1,0,1]=2 54 B4R0.1 CCC(C)S 098013 [0,0,0,0,0,0|1,1,1]=3 55 B4R0.1 CCC(N)=O 069325 [0,0,0,0,0,0|1,0,0]=1 56 B4R0.1 CCN(C)C 099918 [0,0,0,0,0,0|3,0,0]=3 57 B4R0.1 CCS(=O)[O-] 035597 [0,0,0,0,0,0|1,0,1]=2 58 B4R0.1 CC[C@H](C)O 036066 [0,0,0,0,0,0|1,0,1]=2 59 B4R0.1 CNC(=O)Cl 358405 [0,0,0,0,0,0|2,0,0]=2 60 B4R0.1 CNC(C)=O 154700 [0,0,0,0,0,0|2,0,0]=2 61 B4R0.1 CNC(C)C 094496 [0,0,0,0,0,0|3,0,1]=4 62 B4R0.1 CNC(N)=O 227727 [0,0,0,0,0,0|2,0,0]=2 63 B4R0.1 CNC(N)=S 018883 [0,0,0,0,0,0|2,1,0]=3 64 B4R0.1 CNN(C)C 040144 [0,0,0,0,0,0|4,0,0]=4 65 B4R0.1 COC(=N)N 242831 [0,0,0,0,0,0|3,0,0]=3 66 B4R0.1 COC(=N)N 449588 [0,0,0,0,0,0|3,0,0]=3 67 B4R0.1 COC(=O)Cl 099160 [0,0,0,0,0,0|2,0,0]=2 68 B4R0.1 COC(C)=O 098761 [0,0,0,0,0,0|2,0,0]=2 69 B4R0.1 COC(Cl)Cl 239032 [0,0,0,0,0,0|3,0,1]=4 70 B4R0.1 COC(N)=O 080112 [0,0,0,0,0,0|2,0,0]=2 71 B4R0.1 COC(N)=[NH2+] 079024 [0,0,0,0,0,0|3,0,0]=3 72 B4R0.1 CO[SiH](C)C S07285 [0,0,0,0,0,0|3,1,0]=4 73 B4R0.1 CSC(=N)N 221462 [0,0,0,0,0,0|3,0,0]=3 74 B4R0.1 C[C@@H](N)CO M03439 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 C[C@@H](O)CN 234011 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.1 C[C@@H](O)CO 166900 [0,0,0,0,0,0|2,0,1]=3 77 B4R0.1 C[C@H](N)CO M03438 [0,0,0,0,0,0|3,0,1]=4 78 B4R0.1 C[C@H](O)CN 079460 [0,0,0,0,0,0|2,0,1]=3 79 B4R0.1 C[C@H](O)CO 049743 [0,0,0,0,0,0|2,0,1]=3 80 B4R0.1 C\C(N)=N\O 075417 [0,0,0,0,0,0|4,0,0]=4 81 B4R0.1 ClC=C(Cl)Cl 095063 [0,0,0,0,0,0|3,0,1]=4 82 B4R0.1 ClCC(Cl)Cl 520890 [0,0,0,0,0,0|3,0,1]=4 83 B4R0.1 FC(F)CI 034707 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 N=C(N)CCl 018354 [0,0,0,0,0,0|3,0,0]=3 85 B4R0.1 N=C(N)NN 047257 [0,0,0,0,0,0|4,0,0]=4 86 B4R0.1 NC(=O)CBr 091505 [0,0,0,0,0,0|2,0,0]=2 87 B4R0.1 NC(=O)CCl 079297 [0,0,0,0,0,0|2,0,0]=2 88 B4R0.1 NC(=O)CI 001085 [0,0,0,0,0,0|2,0,0]=2 89 B4R0.1 NC(=O)CS 069297 [0,0,0,0,0,0|2,0,0]=2 90 B4R0.1 NC(=O)NO 043351 [0,0,0,0,0,0|3,0,0]=3 91 B4R0.1 NCC(=O)O 105741 [0,0,0,0,0,0|1,0,0]=1 92 B4R0.1 NCC(=O)O 229198 [0,0,0,0,0,0|1,0,0]=1 93 B4R0.1 NCC(=O)O M03001 [0,0,0,0,0,0|1,0,0]=1 94 B4R0.1 NCC(=O)[O-] 240909 [0,0,0,0,0,0|1,0,1]=2 95 B4R0.1 NCC(F)F 010670 [0,0,0,0,0,0|3,0,1]=4 96 B4R0.1 NCC(N)=O 078516 [0,0,0,0,0,0|2,0,0]=2 97 B4R0.1 NN=C(N)N 245772 [0,0,0,0,0,0|4,0,0]=4 98 B4R0.1 NNC(N)=O 242276 [0,0,0,0,0,0|3,0,0]=3 99 B4R0.1 NNC(N)=S 078446 [0,0,0,0,0,0|3,1,0]=4 100 B4R0.1 O=C(Br)CBr 004136 [0,0,0,0,0,0|2,0,0]=2 101 B4R0.1 O=C(Cl)CBr 109400 [0,0,0,0,0,0|2,0,0]=2 102 B4R0.1 O=C(Cl)CCl 098899 [0,0,0,0,0,0|2,0,0]=2 103 B4R0.1 O=C(Cl)CCl 099381 [0,0,0,0,0,0|2,0,0]=2 104 B4R0.1 O=C(Cl)SCl 019067 [0,0,0,0,0,0|3,0,0]=3 105 B4R0.1 O=C(O)CBr 004135 [0,0,0,0,0,0|1,0,0]=1 106 B4R0.1 O=C(O)CCl 095375 [0,0,0,0,0,0|1,0,0]=1 107 B4R0.1 O=C(O)CI 520348 [0,0,0,0,0,0|1,0,0]=1 108 B4R0.1 O=C(O)CO 058235 [0,0,0,0,0,0|1,0,0]=1 109 B4R0.1 O=C(O)CO 103022 [0,0,0,0,0,0|1,0,0]=1 110 B4R0.1 O=C(O)CS 097732 [0,0,0,0,0,0|1,0,0]=1 111 B4R0.1 O=C([O-])CCl 099322 [0,0,0,0,0,0|1,0,1]=2 112 B4R0.1 O=C([O-])CO 195404 [0,0,0,0,0,0|1,0,1]=2 113 B4R0.1 O=C([O-])CS 106508 [0,0,0,0,0,0|1,0,1]=2 114 B4R0.1 O=CC(=O)O 095359 [0,0,0,0,0,0|1,0,1]=2 115 B4R0.1 O=S([O-])CO 450343 [0,0,0,0,0,0|2,0,1]=3 116 B4R0.1 O=[N+]([O-])CBr 002518 [0,0,0,0,0,0|2,0,1]=3 117 B4R0.1 OCC(F)F 001565 [0,0,0,0,0,0|3,0,1]=4 118 B4R0.1 ON=C(Br)Br 016179 [0,0,0,0,0,0|4,0,0]=4 119 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [0,0,0,0,0,0|1,0,0]=1 120 B3R0.1 BrCCBr 050675 [1,0,0,0,0,0|2,0,1]=4 121 B3R0.1 C#CCBr 167400 [1,0,0,0,0,0|2,0,1]=4 122 B3R0.1 C#CCN 046876 [1,0,0,0,0,0|2,0,1]=4 123 B3R0.1 C#CCN 062949 [1,0,0,0,0,0|2,0,1]=4 124 B3R0.1 C#CCO 167200 [1,0,0,0,0,0|0,0,3]=4 125 B3R0.1 C=CC#N 102466 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.1 C=CCBr BR1119 [1,0,0,0,0,0|2,0,0]=3 127 B3R0.1 C=CCC 098927 [1,0,0,0,0,0|1,0,0]=2 128 B3R0.1 C=CCCl 094723 [1,0,0,0,0,0|2,0,0]=3 129 B3R0.1 C=CCI 001263 [1,0,0,0,0,0|2,0,0]=3 130 B3R0.1 C=CCN 099131 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.1 C=CCO 099676 [1,0,0,0,0,0|2,0,0]=3 132 B3R0.1 C=CCS 099583 [1,0,0,0,0,0|2,0,0]=3 133 B3R0.1 CC#CC 117205 [1,0,0,0,0,0|1,0,2]=4 134 B3R0.1 CCC#N 094907 [1,0,0,0,0,0|1,0,1]=3 135 B3R0.1 CCC=O 094974 [1,0,0,0,0,0|0,0,0]=1 136 B3R0.1 CCCBr BR1117 [1,0,0,0,0,0|1,0,1]=3 137 B3R0.1 CCCI 005438 [1,0,0,0,0,0|1,0,1]=3 138 B3R0.1 CCCN 101445 [1,0,0,0,0,0|1,0,1]=3 139 B3R0.1 CCCO 098913 [1,0,0,0,0,0|0,0,1]=2 140 B3R0.1 CCCO 102042 [1,0,0,0,0,0|0,0,1]=2 141 B3R0.1 CCCS 098010 [1,0,0,0,0,0|0,1,1]=3 142 B3R0.1 CCC[S-] 104640 [1,0,0,0,0,0|0,1,1]=3 143 B3R0.1 CCNC 044624 [1,0,0,0,0,0|2,0,0]=3 144 B3R0.1 CCON 092211 [1,0,0,0,0,0|2,0,0]=3 145 B3R0.1 CNC=O 098971 [1,0,0,0,0,0|1,0,0]=2 146 B3R0.1 CNNC 446438 [1,0,0,0,0,0|3,0,0]=4 147 B3R0.1 CNOC 023913 [1,0,0,0,0,0|3,0,0]=4 148 B3R0.1 COC=O 101914 [1,0,0,0,0,0|1,0,0]=2 149 B3R0.1 COCBr 005432 [1,0,0,0,0,0|2,0,1]=4 150 B3R0.1 CSC#N 002936 [1,0,0,0,0,0|2,0,1]=4 151 B3R0.1 CSCCl 075261 [1,0,0,0,0,0|2,0,1]=4 152 B3R0.1 CSSC 094878 [1,0,0,0,0,0|3,0,0]=4 153 B3R0.1 C\C=C/C 105248 [1,0,0,0,0,0|1,0,1]=3 154 B3R0.1 C\C=C\C 102601 [1,0,0,0,0,0|1,0,1]=3 155 B3R0.1 C\C=N\O 102319 [1,0,0,0,0,0|1,0,1]=3 156 B3R0.1 C\C=N\O 358241 [1,0,0,0,0,0|1,0,1]=3 157 B3R0.1 ClCCBr BR1051 [1,0,0,0,0,0|2,0,1]=4 158 B3R0.1 ClCCCl 043318 [1,0,0,0,0,0|2,0,1]=4 159 B3R0.1 ClCCCl 102594 [1,0,0,0,0,0|2,0,1]=4 160 B3R0.1 ClCCI 001485 [1,0,0,0,0,0|2,0,1]=4 161 B3R0.1 FCCI 095367 [1,0,0,0,0,0|2,0,1]=4 162 B3R0.1 ICCI 103493 [1,0,0,0,0,0|2,0,1]=4 163 B3R0.1 N#CCBr 001264 [1,0,0,0,0,0|2,0,1]=4 164 B3R0.1 N#CCCl 008863 [1,0,0,0,0,0|2,0,1]=4 165 B3R0.1 N#CCI 001086 [1,0,0,0,0,0|2,0,1]=4 166 B3R0.1 N#CCN 079136 [1,0,0,0,0,0|2,0,1]=4 167 B3R0.1 NCCBr 078524 [1,0,0,0,0,0|2,0,1]=4 168 B3R0.1 NCCCl 119280 [1,0,0,0,0,0|2,0,1]=4 169 B3R0.1 NCCCl 362131 [1,0,0,0,0,0|2,0,1]=4 170 B3R0.1 NCCF 078652 [1,0,0,0,0,0|2,0,1]=4 171 B3R0.1 NCCF 364319 [1,0,0,0,0,0|2,0,1]=4 172 B3R0.1 NCCN 043401 [1,0,0,0,0,0|2,0,1]=4 173 B3R0.1 NCCN 105894 [1,0,0,0,0,0|2,0,1]=4 174 B3R0.1 NCCN 139700 [1,0,0,0,0,0|2,0,1]=4 175 B3R0.1 NCCO 043400 [1,0,0,0,0,0|1,0,1]=3 176 B3R0.1 NCCO 103645 [1,0,0,0,0,0|1,0,1]=3 177 B3R0.1 NCCO 492434 [1,0,0,0,0,0|1,0,1]=3 178 B3R0.1 NCCS 003420 [1,0,0,0,0,0|1,1,1]=4 179 B3R0.1 NNC=O 099623 [1,0,0,0,0,0|2,0,0]=3 180 B3R0.1 O=BOO 094453 [1,0,0,0,0,0|3,0,0]=4 181 B3R0.1 O=CC=O 094007 [1,0,0,0,0,0|1,0,1]=3 182 B3R0.1 O=CCCl 098847 [1,0,0,0,0,0|1,0,0]=2 183 B3R0.1 OCCBr 111300 [1,0,0,0,0,0|1,0,1]=3 184 B3R0.1 OCCCl 094877 [1,0,0,0,0,0|1,0,1]=3 185 B3R0.1 OCCI 001387 [1,0,0,0,0,0|1,0,1]=3 186 B3R0.1 OCCI 102984 [1,0,0,0,0,0|1,0,1]=3 187 B3R0.1 OCCO 044710 [1,0,0,0,0,0|1,0,1]=3 188 B3R0.1 OCCS 003836 [1,0,0,0,0,0|1,0,1]=3 189 B3R0.1 SCCS M03555 [1,0,0,0,0,0|1,1,1]=4 190 B3R0.1 [2H]OCC 101892 [1,0,0,0,0,0|2,0,0]=3 191 B3R0.2 C(C)(F)F 004814 [1,0,0,0,0,0|2,0,1]=4 192 B3R0.2 C=C(C)Br 098357 [1,0,0,0,0,0|2,0,0]=3 193 B3R0.2 C=C(C)C 102139 [1,0,0,0,0,0|2,0,0]=3 194 B3R0.2 C=[N+](C)C 051246 [1,0,0,0,0,0|3,0,0]=4 195 B3R0.2 CB(O)O 214665 [1,0,0,0,0,0|1,0,1]=3 196 B3R0.2 CC(=N)N 021800 [1,0,0,0,0,0|2,0,0]=3 197 B3R0.2 CC(=O)Br 003920 [1,0,0,0,0,0|1,0,0]=2 198 B3R0.2 CC(=O)Cl 094104 [1,0,0,0,0,0|1,0,0]=2 199 B3R0.2 CC(=O)O 035907 [1,0,0,0,0,0|0,0,0]=1 200 B3R0.2 CC(=O)O 043868 [1,0,0,0,0,0|0,0,0]=1 201 B3R0.2 CC(=O)O 044721 [1,0,0,0,0,0|0,0,0]=1 202 B3R0.2 CC(=O)O 101598 [1,0,0,0,0,0|0,0,0]=1 203 B3R0.2 CC(=O)O 104750 [1,0,0,0,0,0|0,0,0]=1 204 B3R0.2 CC(=O)O 106044 [1,0,0,0,0,0|0,0,0]=1 205 B3R0.2 CC(=O)O 106057 [1,0,0,0,0,0|0,0,0]=1 206 B3R0.2 CC(=O)O 106058 [1,0,0,0,0,0|0,0,0]=1 207 B3R0.2 CC(=O)O 106164 [1,0,0,0,0,0|0,0,0]=1 208 B3R0.2 CC(=O)S 094692 [1,0,0,0,0,0|0,1,0]=2 209 B3R0.2 CC(=O)[O-] 044838 [1,0,0,0,0,0|0,0,1]=2 210 B3R0.2 CC(=O)[O-] 050331 [1,0,0,0,0,0|0,0,1]=2 211 B3R0.2 CC(=O)[O-] 095373 [1,0,0,0,0,0|0,0,1]=2 212 B3R0.2 CC(=O)[O-] 095810 [1,0,0,0,0,0|0,0,1]=2 213 B3R0.2 CC(=O)[O-] 095811 [1,0,0,0,0,0|0,0,1]=2 214 B3R0.2 CC(=O)[O-] 095813 [1,0,0,0,0,0|0,0,1]=2 215 B3R0.2 CC(=O)[O-] 098592 [1,0,0,0,0,0|0,0,1]=2 216 B3R0.2 CC(=O)[O-] 098906 [1,0,0,0,0,0|0,0,1]=2 217 B3R0.2 CC(=O)[O-] 098951 [1,0,0,0,0,0|0,0,1]=2 218 B3R0.2 CC(=O)[O-] 099265 [1,0,0,0,0,0|0,0,1]=2 219 B3R0.2 CC(=O)[O-] 099279 [1,0,0,0,0,0|0,0,1]=2 220 B3R0.2 CC(=O)[O-] 099299 [1,0,0,0,0,0|0,0,1]=2 221 B3R0.2 CC(=O)[O-] 099359 [1,0,0,0,0,0|0,0,1]=2 222 B3R0.2 CC(=O)[O-] 099374 [1,0,0,0,0,0|0,0,1]=2 223 B3R0.2 CC(=O)[O-] 099561 [1,0,0,0,0,0|0,0,1]=2 224 B3R0.2 CC(=O)[O-] 099735 [1,0,0,0,0,0|0,0,1]=2 225 B3R0.2 CC(=O)[O-] 101990 [1,0,0,0,0,0|0,0,1]=2 226 B3R0.2 CC(=O)[O-] 102370 [1,0,0,0,0,0|0,0,1]=2 227 B3R0.2 CC(=O)[O-] 102576 [1,0,0,0,0,0|0,0,1]=2 228 B3R0.2 CC(=O)[O-] 102577 [1,0,0,0,0,0|0,0,1]=2 229 B3R0.2 CC(=O)[O-] 102751 [1,0,0,0,0,0|0,0,1]=2 230 B3R0.2 CC(=O)[O-] 102954 [1,0,0,0,0,0|0,0,1]=2 231 B3R0.2 CC(=O)[O-] 103004 [1,0,0,0,0,0|0,0,1]=2 232 B3R0.2 CC(=O)[O-] 103454 [1,0,0,0,0,0|0,0,1]=2 233 B3R0.2 CC(=O)[O-] 103547 [1,0,0,0,0,0|0,0,1]=2 234 B3R0.2 CC(=O)[O-] 103666 [1,0,0,0,0,0|0,0,1]=2 235 B3R0.2 CC(=O)[O-] 104120 [1,0,0,0,0,0|0,0,1]=2 236 B3R0.2 CC(=O)[O-] 104124 [1,0,0,0,0,0|0,0,1]=2 237 B3R0.2 CC(=O)[O-] 104255 [1,0,0,0,0,0|0,0,1]=2 238 B3R0.2 CC(=O)[O-] 104267 [1,0,0,0,0,0|0,0,1]=2 239 B3R0.2 CC(=O)[O-] 104268 [1,0,0,0,0,0|0,0,1]=2 240 B3R0.2 CC(=O)[O-] 104731 [1,0,0,0,0,0|0,0,1]=2 241 B3R0.2 CC(=O)[O-] 104732 [1,0,0,0,0,0|0,0,1]=2 242 B3R0.2 CC(=O)[O-] 104830 [1,0,0,0,0,0|0,0,1]=2 243 B3R0.2 CC(=O)[O-] 104834 [1,0,0,0,0,0|0,0,1]=2 244 B3R0.2 CC(=O)[O-] 106015 [1,0,0,0,0,0|0,0,1]=2 245 B3R0.2 CC(=O)[O-] 106936 [1,0,0,0,0,0|0,0,1]=2 246 B3R0.2 CC(=O)[O-] 449646 [1,0,0,0,0,0|0,0,1]=2 247 B3R0.2 CC(=O)[O-] 492414 [1,0,0,0,0,0|0,0,1]=2 248 B3R0.2 CC(=O)[O-] 492458 [1,0,0,0,0,0|0,0,1]=2 249 B3R0.2 CC(=O)[O-] 492460 [1,0,0,0,0,0|0,0,1]=2 250 B3R0.2 CC(=O)[O-] 493837 [1,0,0,0,0,0|0,0,1]=2 251 B3R0.2 CC(=O)[O-] 493847 [1,0,0,0,0,0|0,0,1]=2 252 B3R0.2 CC(=O)[O-] 494093 [1,0,0,0,0,0|0,0,1]=2 253 B3R0.2 CC(=O)[O-] 494137 [1,0,0,0,0,0|0,0,1]=2 254 B3R0.2 CC(=O)[O-] 494138 [1,0,0,0,0,0|0,0,1]=2 255 B3R0.2 CC(=O)[O-] 494390 [1,0,0,0,0,0|0,0,1]=2 256 B3R0.2 CC(=O)[S-] 050515 [1,0,0,0,0,0|0,1,0]=2 257 B3R0.2 CC(C)=O 035905 [1,0,0,0,0,0|1,0,0]=2 258 B3R0.2 CC(C)=O 050332 [1,0,0,0,0,0|1,0,0]=2 259 B3R0.2 CC(C)=O 099892 [1,0,0,0,0,0|1,0,0]=2 260 B3R0.2 CC(C)=O 102148 [1,0,0,0,0,0|1,0,0]=2 261 B3R0.2 CC(C)=O 102613 [1,0,0,0,0,0|1,0,0]=2 262 B3R0.2 CC(C)=O 103138 [1,0,0,0,0,0|1,0,0]=2 263 B3R0.2 CC(C)Br BR1118 [1,0,0,0,0,0|2,0,1]=4 264 B3R0.2 CC(C)Cl 438389 [1,0,0,0,0,0|2,0,1]=4 265 B3R0.2 CC(C)I 094561 [1,0,0,0,0,0|2,0,1]=4 266 B3R0.2 CC(C)N 046833 [1,0,0,0,0,0|2,0,1]=4 267 B3R0.2 CC(C)N 094589 [1,0,0,0,0,0|2,0,1]=4 268 B3R0.2 CC(C)N 102424 [1,0,0,0,0,0|2,0,1]=4 269 B3R0.2 CC(C)O 035913 [1,0,0,0,0,0|1,0,1]=3 270 B3R0.2 CC(C)O 098379 [1,0,0,0,0,0|1,0,1]=3 271 B3R0.2 CC(C)O 102166 [1,0,0,0,0,0|1,0,1]=3 272 B3R0.2 CC(C)O 102226 [1,0,0,0,0,0|1,0,1]=3 273 B3R0.2 CC(C)O 105811 [1,0,0,0,0,0|1,0,1]=3 274 B3R0.2 CC(C)S 098993 [1,0,0,0,0,0|1,1,1]=4 275 B3R0.2 CC(C)[O-] 098874 [1,0,0,0,0,0|1,0,2]=4 276 B3R0.2 CC(C)[O-] 099441 [1,0,0,0,0,0|1,0,2]=4 277 B3R0.2 CC(C)[S-] 103566 [1,0,0,0,0,0|1,1,1]=4 278 B3R0.2 CC(Cl)Cl 047063 [1,0,0,0,0,0|2,0,1]=4 279 B3R0.2 CC(N)=O 044859 [1,0,0,0,0,0|1,0,0]=2 280 B3R0.2 CC(N)=S 012744 [1,0,0,0,0,0|1,1,0]=3 281 B3R0.2 CC(N)=S 099460 [1,0,0,0,0,0|1,1,0]=3 282 B3R0.2 CN(C)C 094483 [1,0,0,0,0,0|3,0,0]=4 283 B3R0.2 CN(C)C 099336 [1,0,0,0,0,0|3,0,0]=4 284 B3R0.2 CN(C)C 101873 [1,0,0,0,0,0|3,0,0]=4 285 B3R0.2 CN(C)C 102008 [1,0,0,0,0,0|3,0,0]=4 286 B3R0.2 CN(C)C 102395 [1,0,0,0,0,0|3,0,0]=4 287 B3R0.2 CN(C)C 102396 [1,0,0,0,0,0|3,0,0]=4 288 B3R0.2 CN(C)C 358045 [1,0,0,0,0,0|3,0,0]=4 289 B3R0.2 CN(C)N 245913 [1,0,0,0,0,0|3,0,0]=4 290 B3R0.2 CN(C)O 104141 [1,0,0,0,0,0|2,0,0]=3 291 B3R0.2 CP(C)C 104924 [1,0,0,0,0,0|3,0,0]=4 292 B3R0.2 CS(=O)[O-] 001284 [1,0,0,0,0,0|1,0,1]=3 293 B3R0.2 CS(C)=O 046777 [1,0,0,0,0,0|2,0,0]=3 294 B3R0.2 CS(C)=O 099368 [1,0,0,0,0,0|2,0,0]=3 295 B3R0.2 CS(C)=O 102741 [1,0,0,0,0,0|2,0,0]=3 296 B3R0.2 C[N+](=O)[O-] 099354 [1,0,0,0,0,0|1,0,1]=3 297 B3R0.2 C[N+](=O)[O-] 104857 [1,0,0,0,0,0|1,0,1]=3 298 B3R0.2 C[N+](=O)[O-] BR1297 [1,0,0,0,0,0|1,0,1]=3 299 B3R0.2 C[S+](C)C 175000 [1,0,0,0,0,0|3,0,0]=4 300 B3R0.2 C[SiH](C)Cl S06975 [1,0,0,0,0,0|2,1,0]=4 301 B3R0.2 N=C(N)Cl 075371 [1,0,0,0,0,0|3,0,0]=4 302 B3R0.2 N=C(N)N 044943 [1,0,0,0,0,0|3,0,0]=4 303 B3R0.2 N=C(N)N 098811 [1,0,0,0,0,0|3,0,0]=4 304 B3R0.2 N=C(N)N 104266 [1,0,0,0,0,0|3,0,0]=4 305 B3R0.2 N=C(N)N 143800 [1,0,0,0,0,0|3,0,0]=4 306 B3R0.2 N=C(N)N M01833 [1,0,0,0,0,0|3,0,0]=4 307 B3R0.2 NC(=O)[O-] 240898 [1,0,0,0,0,0|1,0,1]=3 308 B3R0.2 NC(N)=O 044699 [1,0,0,0,0,0|2,0,0]=3 309 B3R0.2 NC(N)=O 094887 [1,0,0,0,0,0|2,0,0]=3 310 B3R0.2 NC(N)=O 245966 [1,0,0,0,0,0|2,0,0]=3 311 B3R0.2 NC(N)=O M02656 [1,0,0,0,0,0|2,0,0]=3 312 B3R0.2 NC(N)=S 044741 [1,0,0,0,0,0|2,1,0]=4 313 B3R0.2 NC(N)=S 103320 [1,0,0,0,0,0|2,1,0]=4 314 B3R0.2 O=Br(=O)[O-] 101547 [1,0,0,0,0,0|2,0,1]=4 315 B3R0.2 O=Br(=O)[O-] BR1192 [1,0,0,0,0,0|2,0,1]=4 316 B3R0.2 O=Br(=O)[O-] BR1198 [1,0,0,0,0,0|2,0,1]=4 317 B3R0.2 O=C(Cl)Cl 098039 [1,0,0,0,0,0|2,0,0]=3 318 B3R0.2 O=C(O)O 094746 [1,0,0,0,0,0|1,0,0]=2 319 B3R0.2 O=C(O)O 105338 [1,0,0,0,0,0|1,0,0]=2 320 B3R0.2 O=C(O)O 105407 [1,0,0,0,0,0|1,0,0]=2 321 B3R0.2 O=C([O-])O 044705 [1,0,0,0,0,0|1,0,0]=2 322 B3R0.2 O=C([O-])O 044759 [1,0,0,0,0,0|1,0,0]=2 323 B3R0.2 O=C([O-])O 095377 [1,0,0,0,0,0|1,0,0]=2 324 B3R0.2 O=C([O-])O 099274 [1,0,0,0,0,0|1,0,0]=2 325 B3R0.2 O=C([O-])O 099353 [1,0,0,0,0,0|1,0,0]=2 326 B3R0.2 O=C([O-])O 099941 [1,0,0,0,0,0|1,0,0]=2 327 B3R0.2 O=C([O-])O 101989 [1,0,0,0,0,0|1,0,0]=2 328 B3R0.2 O=C([O-])O 102030 [1,0,0,0,0,0|1,0,0]=2 329 B3R0.2 O=C([O-])O 102774 [1,0,0,0,0,0|1,0,0]=2 330 B3R0.2 O=C([O-])O 102942 [1,0,0,0,0,0|1,0,0]=2 331 B3R0.2 O=C([O-])O 104315 [1,0,0,0,0,0|1,0,0]=2 332 B3R0.2 O=C([O-])[O-] 024862 [1,0,0,0,0,0|1,0,1]=3 333 B3R0.2 O=C([O-])[O-] 044706 [1,0,0,0,0,0|1,0,1]=3 334 B3R0.2 O=C([O-])[O-] 044708 [1,0,0,0,0,0|1,0,1]=3 335 B3R0.2 O=C([O-])[O-] 050215 [1,0,0,0,0,0|1,0,1]=3 336 B3R0.2 O=C([O-])[O-] 094638 [1,0,0,0,0,0|1,0,1]=3 337 B3R0.2 O=C([O-])[O-] 095386 [1,0,0,0,0,0|1,0,1]=3 338 B3R0.2 O=C([O-])[O-] 097603 [1,0,0,0,0,0|1,0,1]=3 339 B3R0.2 O=C([O-])[O-] 097701 [1,0,0,0,0,0|1,0,1]=3 340 B3R0.2 O=C([O-])[O-] 098684 [1,0,0,0,0,0|1,0,1]=3 341 B3R0.2 O=C([O-])[O-] 099296 [1,0,0,0,0,0|1,0,1]=3 342 B3R0.2 O=C([O-])[O-] 099356 [1,0,0,0,0,0|1,0,1]=3 343 B3R0.2 O=C([O-])[O-] 099751 [1,0,0,0,0,0|1,0,1]=3 344 B3R0.2 O=C([O-])[O-] 099971 [1,0,0,0,0,0|1,0,1]=3 345 B3R0.2 O=C([O-])[O-] 101890 [1,0,0,0,0,0|1,0,1]=3 346 B3R0.2 O=C([O-])[O-] 101937 [1,0,0,0,0,0|1,0,1]=3 347 B3R0.2 O=C([O-])[O-] 102038 [1,0,0,0,0,0|1,0,1]=3 348 B3R0.2 O=C([O-])[O-] 102078 [1,0,0,0,0,0|1,0,1]=3 349 B3R0.2 O=C([O-])[O-] 102093 [1,0,0,0,0,0|1,0,1]=3 350 B3R0.2 O=C([O-])[O-] 102094 [1,0,0,0,0,0|1,0,1]=3 351 B3R0.2 O=C([O-])[O-] 102095 [1,0,0,0,0,0|1,0,1]=3 352 B3R0.2 O=C([O-])[O-] 102476 [1,0,0,0,0,0|1,0,1]=3 353 B3R0.2 O=C([O-])[O-] 102675 [1,0,0,0,0,0|1,0,1]=3 354 B3R0.2 O=C([O-])[O-] 102731 [1,0,0,0,0,0|1,0,1]=3 355 B3R0.2 O=C([O-])[O-] 102831 [1,0,0,0,0,0|1,0,1]=3 356 B3R0.2 O=C([O-])[O-] 102941 [1,0,0,0,0,0|1,0,1]=3 357 B3R0.2 O=C([O-])[O-] 103440 [1,0,0,0,0,0|1,0,1]=3 358 B3R0.2 O=C([O-])[O-] 103688 [1,0,0,0,0,0|1,0,1]=3 359 B3R0.2 O=C([O-])[O-] 103830 [1,0,0,0,0,0|1,0,1]=3 360 B3R0.2 O=C([O-])[O-] 104678 [1,0,0,0,0,0|1,0,1]=3 361 B3R0.2 O=C([O-])[O-] 245855 [1,0,0,0,0,0|1,0,1]=3 362 B3R0.2 O=C([O-])[O-] 245931 [1,0,0,0,0,0|1,0,1]=3 363 B3R0.2 O=Cl(=O)[O-] 098534 [1,0,0,0,0,0|2,0,1]=4 364 B3R0.2 O=I(=O)O 106429 [1,0,0,0,0,0|2,0,0]=3 365 B3R0.2 O=I(=O)[O-] 103987 [1,0,0,0,0,0|2,0,1]=4 366 B3R0.2 O=I(=O)[O-] 104264 [1,0,0,0,0,0|2,0,1]=4 367 B3R0.2 O=N(=O)[O-] 080282 [1,0,0,0,0,0|2,0,1]=4 368 B3R0.2 O=N(=O)[O-] 099052 [1,0,0,0,0,0|2,0,1]=4 369 B3R0.2 O=N(=O)[O-] 099736 [1,0,0,0,0,0|2,0,1]=4 370 B3R0.2 O=N(=O)[O-] 102371 [1,0,0,0,0,0|2,0,1]=4 371 B3R0.2 O=P(=O)[O-] 007293 [1,0,0,0,0,0|2,0,1]=4 372 B3R0.2 O=S(Br)Br 099917 [1,0,0,0,0,0|3,0,0]=4 373 B3R0.2 O=S(Cl)Cl 033128 [1,0,0,0,0,0|3,0,0]=4 374 B3R0.2 O=S([O-])O 075234 [1,0,0,0,0,0|2,0,0]=3 375 B3R0.2 O=S([O-])O 099416 [1,0,0,0,0,0|2,0,0]=3 376 B3R0.2 O=S([O-])O 106048 [1,0,0,0,0,0|2,0,0]=3 377 B3R0.2 O=S([O-])[O-] 044726 [1,0,0,0,0,0|2,0,1]=4 378 B3R0.2 O=S([O-])[O-] 101575 [1,0,0,0,0,0|2,0,1]=4 379 B3R0.2 O=[Cr](=O)=O 094433 [1,0,0,0,0,0|2,0,1]=4 380 B3R0.2 O=[Mo](=O)=O 494341 [1,0,0,0,0,0|2,0,1]=4 381 B3R0.2 O=[N+]([O-])O 099784 [1,0,0,0,0,0|2,0,0]=3 382 B3R0.2 O=[N+]([O-])O 102498 [1,0,0,0,0,0|2,0,0]=3 383 B3R0.2 O=[N+]([O-])[O-] 094449 [1,0,0,0,0,0|2,0,1]=4 384 B3R0.2 O=[N+]([O-])[O-] 094795 [1,0,0,0,0,0|2,0,1]=4 385 B3R0.2 O=[N+]([O-])[O-] 097684 [1,0,0,0,0,0|2,0,1]=4 386 B3R0.2 O=[N+]([O-])[O-] 098767 [1,0,0,0,0,0|2,0,1]=4 387 B3R0.2 O=[N+]([O-])[O-] 098875 [1,0,0,0,0,0|2,0,1]=4 388 B3R0.2 O=[N+]([O-])[O-] 098901 [1,0,0,0,0,0|2,0,1]=4 389 B3R0.2 O=[N+]([O-])[O-] 098949 [1,0,0,0,0,0|2,0,1]=4 390 B3R0.2 O=[N+]([O-])[O-] 099379 [1,0,0,0,0,0|2,0,1]=4 391 B3R0.2 O=[N+]([O-])[O-] 099724 [1,0,0,0,0,0|2,0,1]=4 392 B3R0.2 O=[N+]([O-])[O-] 099727 [1,0,0,0,0,0|2,0,1]=4 393 B3R0.2 O=[N+]([O-])[O-] 101541 [1,0,0,0,0,0|2,0,1]=4 394 B3R0.2 O=[N+]([O-])[O-] 101958 [1,0,0,0,0,0|2,0,1]=4 395 B3R0.2 O=[N+]([O-])[O-] 102539 [1,0,0,0,0,0|2,0,1]=4 396 B3R0.2 O=[N+]([O-])[O-] 102943 [1,0,0,0,0,0|2,0,1]=4 397 B3R0.2 O=[N+]([O-])[O-] 103357 [1,0,0,0,0,0|2,0,1]=4 398 B3R0.2 O=[N+]([O-])[O-] 103434 [1,0,0,0,0,0|2,0,1]=4 399 B3R0.2 O=[N+]([O-])[O-] 103689 [1,0,0,0,0,0|2,0,1]=4 400 B3R0.2 O=[N+]([O-])[O-] 104014 [1,0,0,0,0,0|2,0,1]=4 401 B3R0.2 O=[N+]([O-])[O-] 104137 [1,0,0,0,0,0|2,0,1]=4 402 B3R0.2 O=[N+]([O-])[O-] 104766 [1,0,0,0,0,0|2,0,1]=4 403 B3R0.2 O=[N+]([O-])[O-] 104767 [1,0,0,0,0,0|2,0,1]=4 404 B3R0.2 O=[N+]([O-])[O-] 104921 [1,0,0,0,0,0|2,0,1]=4 405 B3R0.2 O=[N+]([O-])[O-] 106004 [1,0,0,0,0,0|2,0,1]=4 406 B3R0.2 O=[N+]([O-])[O-] 106005 [1,0,0,0,0,0|2,0,1]=4 407 B3R0.2 O=[N+]([O-])[O-] 492476 [1,0,0,0,0,0|2,0,1]=4 408 B3R0.2 O=[N+]([O-])[O-] 493798 [1,0,0,0,0,0|2,0,1]=4 409 B3R0.2 O=[N+]([O-])[O-] 493811 [1,0,0,0,0,0|2,0,1]=4 410 B3R0.2 O=[N+]([O-])[O-] 493934 [1,0,0,0,0,0|2,0,1]=4 411 B3R0.2 O=[N+]([O-])[O-] 494354 [1,0,0,0,0,0|2,0,1]=4 412 B3R0.2 O=[N+]([O-])[O-] 494365 [1,0,0,0,0,0|2,0,1]=4 413 B3R0.2 O=[N+]([O-])[O-] 494384 [1,0,0,0,0,0|2,0,1]=4 414 B3R0.2 O=[Se]([O-])[O-] 492419 [1,0,0,0,0,0|2,0,1]=4 415 B3R0.2 O=[Si](O)O 101481 [1,0,0,0,0,0|1,1,0]=3 416 B3R0.2 O=[Si]([O-])[O-] 098683 [1,0,0,0,0,0|1,1,1]=4 417 B3R0.2 O=[Si]([O-])[O-] 101483 [1,0,0,0,0,0|1,1,1]=4 418 B3R0.2 O=[Si]([O-])[O-] 105864 [1,0,0,0,0,0|1,1,1]=4 419 B3R0.2 O=[Si]([O-])[O-] S15025 [1,0,0,0,0,0|1,1,1]=4 420 B3R0.2 O=[Si]([O-])[O-] S25205 [1,0,0,0,0,0|1,1,1]=4 421 B3R0.2 O=[Sn]([O-])[O-] 098427 [1,0,0,0,0,0|2,0,1]=4 422 B3R0.2 OB(O)O 094443 [1,0,0,0,0,0|2,0,1]=4 423 B3R0.2 OB(O)O 099748 [1,0,0,0,0,0|2,0,1]=4 424 B3R0.2 OB(O)O 103993 [1,0,0,0,0,0|2,0,1]=4 425 B3R0.2 OB(O)O 104270 [1,0,0,0,0,0|2,0,1]=4 426 B3R0.2 OB(O)O 104328 [1,0,0,0,0,0|2,0,1]=4 427 B3R0.2 S=C(Cl)Cl 005987 [1,0,0,0,0,0|2,1,0]=4 428 B5R0.1 C#CCC(C)O 532537 [0,1,0,0,0,0|1,0,2]=4 429 B5R0.1 C=C(C)CCBr 223736 [0,1,0,0,0,0|2,0,0]=3 430 B5R0.1 C=C(C)CCO 358461 [0,1,0,0,0,0|2,0,0]=3 431 B5R0.1 C=C(C)OCC 471668 [0,1,0,0,0,0|2,0,0]=3 432 B5R0.1 C=COC(C)=O 098012 [0,1,0,0,0,0|1,0,2]=4 433 B5R0.1 CC#CC(=O)O 009075 [0,1,0,0,0,0|0,0,1]=2 434 B5R0.1 CC(=O)CCCl 069833 [0,1,0,0,0,0|1,0,0]=2 435 B5R0.1 CC(=O)CCO 358442 [0,1,0,0,0,0|1,0,0]=2 436 B5R0.1 CC(=O)NCO 430081 [0,1,0,0,0,0|2,0,0]=3 437 B5R0.1 CC(Br)CCBr BR1240 [0,1,0,0,0,0|2,0,1]=4 438 B5R0.1 CC(C)=CCBr 053316 [0,1,0,0,0,0|2,0,1]=4 439 B5R0.1 CC(C)=CCCl 349314 [0,1,0,0,0,0|2,0,1]=4 440 B5R0.1 CC(C)=CCO 358414 [0,1,0,0,0,0|2,0,1]=4 441 B5R0.1 CC(C)CCBr BR1353 [0,1,0,0,0,0|2,0,1]=4 442 B5R0.1 CC(C)CCI 046949 [0,1,0,0,0,0|2,0,1]=4 443 B5R0.1 CC(C)CCN 097749 [0,1,0,0,0,0|2,0,1]=4 444 B5R0.1 CC(C)CCO 097704 [0,1,0,0,0,0|2,0,1]=4 445 B5R0.1 CC(C)CCO 103352 [0,1,0,0,0,0|2,0,1]=4 446 B5R0.1 CC(C)CCS 358459 [0,1,0,0,0,0|2,0,1]=4 447 B5R0.1 CC(O)CCO 099380 [0,1,0,0,0,0|1,0,1]=3 448 B5R0.1 CCCB(O)O 092177 [0,1,0,0,0,0|1,0,1]=3 449 B5R0.1 CCCC(=O)Cl 098879 [0,1,0,0,0,0|1,0,0]=2 450 B5R0.1 CCCC(=O)O 102473 [0,1,0,0,0,0|0,0,0]=1 451 B5R0.1 CCCC(C)Br 024476 [0,1,0,0,0,0|2,0,1]=4 452 B5R0.1 CCCC(C)Br BR1101 [0,1,0,0,0,0|2,0,1]=4 453 B5R0.1 CCCC(C)C 098758 [0,1,0,0,0,0|2,0,1]=4 454 B5R0.1 CCCC(C)N 097754 [0,1,0,0,0,0|2,0,1]=4 455 B5R0.1 CCCC(C)O 099024 [0,1,0,0,0,0|1,0,1]=3 456 B5R0.1 CCCC(C)S 070734 [0,1,0,0,0,0|1,1,1]=4 457 B5R0.1 CCCC(N)=O 356018 [0,1,0,0,0,0|1,0,0]=2 458 B5R0.1 CCC[C@H](C)O 036089 [0,1,0,0,0,0|1,0,1]=3 459 B5R0.1 CCC[N+](=O)[O-] 520877 [0,1,0,0,0,0|1,0,1]=3 460 B5R0.1 CCNC(C)C 057128 [0,1,0,0,0,0|2,0,1]=4 461 B5R0.1 CCNC(N)=S 099168 [0,1,0,0,0,0|1,1,0]=3 462 B5R0.1 CCOC(=N)N 069301 [0,1,0,0,0,0|2,0,0]=3 463 B5R0.1 CCOC(=O)Cl 099901 [0,1,0,0,0,0|1,0,0]=2 464 B5R0.1 CCOC(C)=N 239394 [0,1,0,0,0,0|2,0,0]=3 465 B5R0.1 CCOC(C)=O 035909 [0,1,0,0,0,0|1,0,0]=2 466 B5R0.1 CCOC(C)=O 099553 [0,1,0,0,0,0|1,0,0]=2 467 B5R0.1 CCOC(C)=O 099895 [0,1,0,0,0,0|1,0,0]=2 468 B5R0.1 CCOC(N)=O 099367 [0,1,0,0,0,0|1,0,0]=2 469 B5R0.1 CCSC(=N)N 358408 [0,1,0,0,0,0|2,0,0]=3 470 B5R0.1 CN(C)CCBr 077959 [0,1,0,0,0,0|3,0,0]=4 471 B5R0.1 CN(C)CCCl 077638 [0,1,0,0,0,0|3,0,0]=4 472 B5R0.1 CN(C)CCN 043851 [0,1,0,0,0,0|3,0,0]=4 473 B5R0.1 CN(C)CCO 044665 [0,1,0,0,0,0|3,0,0]=4 474 B5R0.1 CN(C)CCS 450419 [0,1,0,0,0,0|3,0,0]=4 475 B5R0.1 CNCC(=O)O 095119 [0,1,0,0,0,0|0,0,0]=1 476 B5R0.1 CNCC(C)C 047078 [0,1,0,0,0,0|2,0,1]=4 477 B5R0.1 COCC(=O)Cl 053542 [0,1,0,0,0,0|1,0,0]=2 478 B5R0.1 COCC(=O)O 237785 [0,1,0,0,0,0|0,0,0]=1 479 B5R0.1 COCC(C)=O 002450 [0,1,0,0,0,0|1,0,0]=2 480 B5R0.1 COCC(C)N 402335 [0,1,0,0,0,0|2,0,1]=4 481 B5R0.1 COCC(C)O 093985 [0,1,0,0,0,0|1,0,1]=3 482 B5R0.1 COC[C@@H](C)N 079780 [0,1,0,0,0,0|2,0,1]=4 483 B5R0.1 COC[C@@H](C)O 036090 [0,1,0,0,0,0|1,0,1]=3 484 B5R0.1 CSCC(=O)O 010416 [0,1,0,0,0,0|0,0,0]=1 485 B5R0.1 CSCC(N)=O 092321 [0,1,0,0,0,0|1,0,0]=2 486 B5R0.1 CSCS(C)=O 303199 [0,1,0,0,0,0|2,0,0]=3 487 B5R0.1 C[C@@H](N)CCO 092790 [0,1,0,0,0,0|2,0,1]=4 488 B5R0.1 C[C@@H](O)CCO 041923 [0,1,0,0,0,0|1,0,1]=3 489 B5R0.1 C[C@H](N)CCO 092789 [0,1,0,0,0,0|2,0,1]=4 490 B5R0.1 C[C@H](O)CCO 041922 [0,1,0,0,0,0|1,0,1]=3 491 B5R0.1 C\C=C\C(=O)Cl 358246 [0,1,0,0,0,0|1,0,1]=3 492 B5R0.1 C\C=C\C(=O)O 092792 [0,1,0,0,0,0|0,0,1]=2 493 B5R0.1 N#CCC(=O)O 098058 [0,1,0,0,0,0|0,0,1]=2 494 B5R0.1 N#CCC(N)=O 094603 [0,1,0,0,0,0|1,0,1]=3 495 B5R0.1 N#CCC(N)=S 093533 [0,1,0,0,0,0|1,1,1]=4 496 B5R0.1 NC(=O)CCBr 456436 [0,1,0,0,0,0|1,0,0]=2 497 B5R0.1 NC(=O)CCCl 180018 [0,1,0,0,0,0|1,0,0]=2 498 B5R0.1 NCCC(=O)O 044720 [0,1,0,0,0,0|0,0,0]=1 499 B5R0.1 NCCC(N)=O 221578 [0,1,0,0,0,0|1,0,0]=2 500 B5R0.1 NOCC(=O)O 222804 [0,1,0,0,0,0|1,0,0]=2 501 B5R0.1 O=C(Cl)CCBr 104627 [0,1,0,0,0,0|1,0,0]=2 502 B5R0.1 O=C(Cl)CCCl 095162 [0,1,0,0,0,0|1,0,0]=2 503 B5R0.1 O=C(Cl)OCCl 320123 [0,1,0,0,0,0|2,0,0]=3 504 B5R0.1 O=C(O)CCBr 003025 [0,1,0,0,0,0|0,0,0]=1 505 B5R0.1 O=C(O)CCCl 242740 [0,1,0,0,0,0|0,0,0]=1 506 B5R0.1 O=C(O)CCI 003069 [0,1,0,0,0,0|0,0,0]=1 507 B5R0.1 O=C(O)CCO 147100 [0,1,0,0,0,0|0,0,0]=1 508 B5R0.1 O=C(O)CCS 094485 [0,1,0,0,0,0|0,0,0]=1 509 B5R0.1 O=[N+]([O-])CCO 358303 [0,1,0,0,0,0|1,0,1]=3 510 B5R0.3 C#CC(=O)OC 067148 [0,1,0,0,0,0|0,0,2]=3 511 B5R0.3 C#CC(O)CC 164300 [0,1,0,0,0,0|1,0,1]=3 512 B5R0.3 C=C(CCl)CCl 386371 [0,1,0,0,0,0|3,0,0]=4 513 B5R0.3 C=C(CO)CO 079496 [0,1,0,0,0,0|2,0,0]=3 514 B5R0.3 C=CC(=O)NN 094243 [0,1,0,0,0,0|1,0,2]=4 515 B5R0.3 C=CC(=O)OC 520477 [0,1,0,0,0,0|0,0,2]=3 516 B5R0.3 C=CC(O)CC 464567 [0,1,0,0,0,0|1,0,1]=3 517 B5R0.3 C=CC(O)CO 099464 [0,1,0,0,0,0|2,0,1]=4 518 B5R0.3 CC(CO)CO 242900 [0,1,0,0,0,0|2,0,1]=4 519 B5R0.3 CCC(=O)CBr 002514 [0,1,0,0,0,0|1,0,0]=2 520 B5R0.3 CCC(=O)CC 094591 [0,1,0,0,0,0|1,0,0]=2 521 B5R0.3 CCC(=O)NC 103047 [0,1,0,0,0,0|1,0,0]=2 522 B5R0.3 CCC(=O)NN 026652 [0,1,0,0,0,0|1,0,0]=2 523 B5R0.3 CCC(Br)CC 358240 [0,1,0,0,0,0|2,0,1]=4 524 B5R0.3 CCC(C)C=O 103622 [0,1,0,0,0,0|1,0,1]=3 525 B5R0.3 CCC(C)CC 098988 [0,1,0,0,0,0|2,0,1]=4 526 B5R0.3 CCC(C)CN 013636 [0,1,0,0,0,0|2,0,1]=4 527 B5R0.3 CCC(C)CO 358145 [0,1,0,0,0,0|1,0,1]=3 528 B5R0.3 CCC(C)NN 046283 [0,1,0,0,0,0|2,0,1]=4 529 B5R0.3 CCC(N)CC 094499 [0,1,0,0,0,0|2,0,1]=4 530 B5R0.3 CCC(N)CO 091481 [0,1,0,0,0,0|1,0,1]=3 531 B5R0.3 CCC(O)C#N 103338 [0,1,0,0,0,0|1,0,1]=3 532 B5R0.3 CCC(O)CC 358049 [0,1,0,0,0,0|1,0,1]=3 533 B5R0.3 CCC(O)CN 002496 [0,1,0,0,0,0|1,0,1]=3 534 B5R0.3 CCN(C)CC 493739 [0,1,0,0,0,0|3,0,0]=4 535 B5R0.3 CCN(O)CC 105777 [0,1,0,0,0,0|2,0,0]=3 536 B5R0.3 CCN(O)CC 129600 [0,1,0,0,0,0|2,0,0]=3 537 B5R0.3 CCS(=O)CC 094782 [0,1,0,0,0,0|2,0,0]=3 538 B5R0.3 CC[C@@H](N)CO 012703 [0,1,0,0,0,0|1,0,1]=3 539 B5R0.3 CC[C@H](C)CO 473128 [0,1,0,0,0,0|1,0,1]=3 540 B5R0.3 CC[C@H](N)CO 012704 [0,1,0,0,0,0|1,0,1]=3 541 B5R0.3 CC\C(C)=N\O 099127 [0,1,0,0,0,0|1,0,0]=2 542 B5R0.3 CNC(=O)CBr 043828 [0,1,0,0,0,0|2,0,0]=3 543 B5R0.3 CNC(=O)CCl 094091 [0,1,0,0,0,0|2,0,0]=3 544 B5R0.3 CNC(=O)CN 075035 [0,1,0,0,0,0|2,0,0]=3 545 B5R0.3 CNC(=O)NC 358273 [0,1,0,0,0,0|2,0,0]=3 546 B5R0.3 CNC(=S)NC 349139 [0,1,0,0,0,0|2,1,0]=4 547 B5R0.3 CNC(=S)NN 018882 [0,1,0,0,0,0|2,1,0]=4 548 B5R0.3 COC(=O)C#N 102552 [0,1,0,0,0,0|1,0,1]=3 549 B5R0.3 COC(=O)CBr 006774 [0,1,0,0,0,0|1,0,0]=2 550 B5R0.3 COC(=O)CCl 095344 [0,1,0,0,0,0|1,0,0]=2 551 B5R0.3 COC(=O)CI 103193 [0,1,0,0,0,0|1,0,0]=2 552 B5R0.3 COC(=O)CN M03021 [0,1,0,0,0,0|1,0,0]=2 553 B5R0.3 COC(=O)CO 227696 [0,1,0,0,0,0|1,0,0]=2 554 B5R0.3 COC(=O)CS 011917 [0,1,0,0,0,0|1,0,0]=2 555 B5R0.3 COC(=O)NN 094656 [0,1,0,0,0,0|2,0,0]=3 556 B5R0.3 COC(=O)OC 094559 [0,1,0,0,0,0|1,0,0]=2 557 B5R0.3 COC(=O)SCl 002587 [0,1,0,0,0,0|1,1,0]=3 558 B5R0.3 COC(C)OC 104486 [0,1,0,0,0,0|2,0,1]=4 559 B5R0.3 COS(=O)OC 094292 [0,1,0,0,0,0|2,0,0]=3 560 B5R0.3 CO[PH](=O)OC 098972 [0,1,0,0,0,0|2,0,0]=3 561 B5R0.3 C\C=C(/C)C=O 245796 [0,1,0,0,0,0|1,0,1]=3 562 B5R0.3 NC(CO)CO 043594 [0,1,0,0,0,0|2,0,1]=4 563 B5R0.3 NCC(=O)CN 245676 [0,1,0,0,0,0|2,0,0]=3 564 B5R0.3 NCC(O)CN 013503 [0,1,0,0,0,0|2,0,1]=4 565 B5R0.3 NCC(O)CO 093744 [0,1,0,0,0,0|1,0,2]=4 566 B5R0.3 NC[C@@H](O)CO 036807 [0,1,0,0,0,0|1,0,2]=4 567 B5R0.3 NC[C@H](O)CCl 320853 [0,1,0,0,0,0|2,0,1]=4 568 B5R0.3 NNC(=O)CO 069267 [0,1,0,0,0,0|2,0,0]=3 569 B5R0.3 O=C(CCl)CCl 469912 [0,1,0,0,0,0|2,0,0]=3 570 B5R0.3 O=C(CO)CO 093516 [0,1,0,0,0,0|1,0,0]=2 571 B5R0.3 O=C(O[Ag])O[Ag] 051244 [0,1,0,0,0,0|2,0,0]=3 572 B5R0.3 OC(CBr)CBr 242654 [0,1,0,0,0,0|2,0,1]=4 573 B5R0.3 OC(CCl)CCl 214775 [0,1,0,0,0,0|2,0,1]=4 574 B5R0.3 OCC(O)CCl 242924 [0,1,0,0,0,0|1,0,2]=4 575 B5R0.3 OCC(O)CO 094580 [0,1,0,0,0,0|1,0,2]=4 576 B5R0.3 OCC(O)CO 102072 [0,1,0,0,0,0|1,0,2]=4 577 B5R0.3 OCC(O)CO 104202 [0,1,0,0,0,0|1,0,2]=4 578 B5R0.3 OCC(O)CS 104512 [0,1,0,0,0,0|1,0,2]=4 579 B5R0.3 OC[C@@H](O)CCl 079187 [0,1,0,0,0,0|1,0,2]=4 580 B5R0.4 C=CP(=O)(O)O 105842 [0,1,0,0,0,0|1,0,2]=4 581 B5R0.4 CC(C)(O)CCl 120400 [0,1,0,0,0,0|2,0,1]=4 582 B5R0.4 CC(C)(O)CN 041912 [0,1,0,0,0,0|2,0,1]=4 583 B5R0.4 CC(C)(O)CO 080226 [0,1,0,0,0,0|2,0,1]=4 584 B5R0.4 CCC(C)(C)Br 005914 [0,1,0,0,0,0|2,0,1]=4 585 B5R0.4 CCC(C)(C)N 102046 [0,1,0,0,0,0|2,0,1]=4 586 B5R0.4 CCC(C)(C)O 094937 [0,1,0,0,0,0|1,0,1]=3 587 B5R0.4 CCC(C)(C)O 094938 [0,1,0,0,0,0|1,0,1]=3 588 B5R0.4 CCC(C)(C)O 098852 [0,1,0,0,0,0|1,0,1]=3 589 B5R0.4 CCC(C)(C)[O-] 094579 [0,1,0,0,0,0|1,0,2]=4 590 B5R0.4 CCC(C)(C)[O-] 104770 [0,1,0,0,0,0|1,0,2]=4 591 B5R0.4 CCC(C)(C)[O-] 105003 [0,1,0,0,0,0|1,0,2]=4 592 B5R0.4 CCS(=O)(=O)Cl 044992 [0,1,0,0,0,0|1,0,1]=3 593 B5R0.4 CCS(N)(=O)=O 022080 [0,1,0,0,0,0|1,0,1]=3 594 B5R0.4 CC[B-](F)(F)F 046296 [0,1,0,0,0,0|3,0,0]=4 595 B5R0.4 CC[Si](C)(C)Cl 005276 [0,1,0,0,0,0|2,1,0]=4 596 B5R0.4 CC[Si](Cl)(Cl)Cl S08825 [0,1,0,0,0,0|2,1,0]=4 597 B5R0.4 CNS(C)(=O)=O 078577 [0,1,0,0,0,0|2,0,1]=4 598 B5R0.4 COS(=O)(=O)[O-] 005437 [0,1,0,0,0,0|2,0,1]=4 599 B5R0.4 COS(=O)(=O)[O-] 044670 [0,1,0,0,0,0|2,0,1]=4 600 B5R0.4 NCP(=O)(O)O 386319 [0,1,0,0,0,0|2,0,0]=3 601 B5R0.4 NOS(=O)(=O)O 078667 [0,1,0,0,0,0|3,0,0]=4 602 B5R0.4 O=S(=O)([O-])CO 098680 [0,1,0,0,0,0|2,0,1]=4 603 B5R0.5 C=C(C)C(=C)C 104405 [0,1,0,0,0,0|2,0,1]=4 604 B5R0.5 C=C(C)C(=O)Cl 152770 [0,1,0,0,0,0|1,0,1]=3 605 B5R0.5 C=C(C)C(=O)O 098014 [0,1,0,0,0,0|0,0,1]=2 606 B5R0.5 C=C(C)C(=O)[O-] 461655 [0,1,0,0,0,0|0,0,2]=3 607 B5R0.5 C=C(C)C(C)=O 155400 [0,1,0,0,0,0|1,0,1]=3 608 B5R0.5 C=C(C)C(N)=O 098987 [0,1,0,0,0,0|1,0,1]=3 609 B5R0.5 CC(=O)C(=O)O 168700 [0,1,0,0,0,0|0,0,1]=2 610 B5R0.5 CC(=O)C(=O)[O-] 169520 [0,1,0,0,0,0|0,0,2]=3 611 B5R0.5 CC(=O)C(C)=O 099488 [0,1,0,0,0,0|1,0,1]=3 612 B5R0.5 CC(=O)C(C)C 098965 [0,1,0,0,0,0|1,0,0]=2 613 B5R0.5 CC(=O)C(C)Cl 520345 [0,1,0,0,0,0|1,0,0]=2 614 B5R0.5 CC(=O)C(C)O 449308 [0,1,0,0,0,0|1,0,0]=2 615 B5R0.5 CC(=O)C(F)F 025165 [0,1,0,0,0,0|2,0,0]=3 616 B5R0.5 CC(=O)N(C)C 044923 [0,1,0,0,0,0|2,0,0]=3 617 B5R0.5 CC(=O)N(C)C 103880 [0,1,0,0,0,0|2,0,0]=3 618 B5R0.5 CC(=O)N(C)C 105121 [0,1,0,0,0,0|2,0,0]=3 619 B5R0.5 CC(Br)C(=O)Br BR1124 [0,1,0,0,0,0|1,0,0]=2 620 B5R0.5 CC(Br)C(=O)O BR1120 [0,1,0,0,0,0|0,0,0]=1 621 B5R0.5 CC(Br)C(C)Br 001074 [0,1,0,0,0,0|2,0,1]=4 622 B5R0.5 CC(Br)C(N)=O 222852 [0,1,0,0,0,0|1,0,0]=2 623 B5R0.5 CC(C)=C(C)C 358426 [0,1,0,0,0,0|2,0,1]=4 624 B5R0.5 CC(C)B(O)O 065614 [0,1,0,0,0,0|1,0,1]=3 625 B5R0.5 CC(C)C(=N)N 017191 [0,1,0,0,0,0|2,0,0]=3 626 B5R0.5 CC(C)C(=O)Cl 005019 [0,1,0,0,0,0|1,0,0]=2 627 B5R0.5 CC(C)C(=O)O 099395 [0,1,0,0,0,0|0,0,0]=1 628 B5R0.5 CC(C)C(C)C 101556 [0,1,0,0,0,0|2,0,1]=4 629 B5R0.5 CC(C)C(N)=O 091536 [0,1,0,0,0,0|1,0,0]=2 630 B5R0.5 CC(C)N(C)C 103843 [0,1,0,0,0,0|3,0,0]=4 631 B5R0.5 CC(C)S(=O)[O-] 035599 [0,1,0,0,0,0|1,0,1]=3 632 B5R0.5 CC(C)[N+](=O)[O-] 098355 [0,1,0,0,0,0|1,0,1]=3 633 B5R0.5 CC(Cl)C(=O)Cl 099576 [0,1,0,0,0,0|1,0,0]=2 634 B5R0.5 CC(Cl)C(=O)O 240303 [0,1,0,0,0,0|0,0,0]=1 635 B5R0.5 CC(Cl)C(N)=O 369655 [0,1,0,0,0,0|1,0,0]=2 636 B5R0.5 CC(F)C(=O)O 024847 [0,1,0,0,0,0|0,0,0]=1 637 B5R0.5 CC(N)C(=O)O 094978 [0,1,0,0,0,0|0,0,0]=1 638 B5R0.5 CC(O)C(=O)O 995229 [0,1,0,0,0,0|0,0,0]=1 639 B5R0.5 CC(O)C(=O)[O-] 492494 [0,1,0,0,0,0|0,0,1]=2 640 B5R0.5 CC(O)C(N)=O 341750 [0,1,0,0,0,0|1,0,0]=2 641 B5R0.5 CC(S)C(=O)O 520330 [0,1,0,0,0,0|0,0,0]=1 642 B5R0.5 CN(C)C(=N)N 094628 [0,1,0,0,0,0|3,0,0]=4 643 B5R0.5 CN(C)C(=O)Cl 051099 [0,1,0,0,0,0|2,0,0]=3 644 B5R0.5 CN(C)C(=S)Cl 101947 [0,1,0,0,0,0|2,1,0]=4 645 B5R0.5 CN(C)C(=S)[S-] 180453 [0,1,0,0,0,0|1,2,0]=4 646 B5R0.5 CN(C)C(N)=O 342088 [0,1,0,0,0,0|2,0,0]=3 647 B5R0.5 CN(C)C(N)=S 369470 [0,1,0,0,0,0|2,1,0]=4 648 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [0,1,0,0,0,0|0,0,0]=1 649 B5R0.5 C[C@@H](N)C(=O)O M02932 [0,1,0,0,0,0|0,0,0]=1 650 B5R0.5 C[C@@H](N)C(N)=O 076723 [0,1,0,0,0,0|1,0,0]=2 651 B5R0.5 C[C@@H](O)C(=O)O 208594 [0,1,0,0,0,0|0,0,0]=1 652 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [0,1,0,0,0,0|0,0,1]=2 653 B5R0.5 C[C@@H](O)C(N)=O 094768 [0,1,0,0,0,0|1,0,0]=2 654 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [0,1,0,0,0,0|1,0,1]=3 655 B5R0.5 C[C@H](Br)C(=O)O 094052 [0,1,0,0,0,0|0,0,0]=1 656 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [0,1,0,0,0,0|2,0,1]=4 657 B5R0.5 C[C@H](Cl)C(=O)O 216004 [0,1,0,0,0,0|0,0,0]=1 658 B5R0.5 C[C@H](N)C(=O)O 080323 [0,1,0,0,0,0|0,0,0]=1 659 B5R0.5 C[C@H](N)C(N)=O 092189 [0,1,0,0,0,0|1,0,0]=2 660 B5R0.5 C[C@H](O)C(=O)O 103316 [0,1,0,0,0,0|0,0,0]=1 661 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [0,1,0,0,0,0|0,0,1]=2 662 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [0,1,0,0,0,0|1,0,1]=3 663 B5R0.5 C[C@H](O)[C@H](C)O 044770 [0,1,0,0,0,0|1,0,1]=3 664 B5R0.5 N=C(N)S(=O)O 358143 [0,1,0,0,0,0|2,0,1]=4 665 B5R0.5 NC(=O)C(=O)O 240454 [0,1,0,0,0,0|1,0,1]=3 666 B5R0.5 NC(=O)C(F)Cl 038384 [0,1,0,0,0,0|2,0,0]=3 667 B5R0.5 NC(=O)C(F)F 033531 [0,1,0,0,0,0|2,0,0]=3 668 B5R0.5 NC(=O)C(N)=O 494123 [0,1,0,0,0,0|2,0,1]=4 669 B5R0.5 O=C(Br)C(=O)Br 099479 [0,1,0,0,0,0|2,0,1]=4 670 B5R0.5 O=C(Cl)C(=O)Cl 003771 [0,1,0,0,0,0|2,0,1]=4 671 B5R0.5 O=C(Cl)C(Cl)Cl 099125 [0,1,0,0,0,0|2,0,0]=3 672 B5R0.5 O=C(O)C(=O)O 094439 [0,1,0,0,0,0|1,0,1]=3 673 B5R0.5 O=C(O)C(=O)O 099499 [0,1,0,0,0,0|1,0,1]=3 674 B5R0.5 O=C(O)C(=O)O 099742 [0,1,0,0,0,0|1,0,1]=3 675 B5R0.5 O=C(O)C(=O)O 099890 [0,1,0,0,0,0|1,0,1]=3 676 B5R0.5 O=C(O)C(=O)O 242472 [0,1,0,0,0,0|1,0,1]=3 677 B5R0.5 O=C(O)C(=O)O 360255 [0,1,0,0,0,0|1,0,1]=3 678 B5R0.5 O=C(O)C(=O)O 492395 [0,1,0,0,0,0|1,0,1]=3 679 B5R0.5 O=C(O)C(Br)Br 103029 [0,1,0,0,0,0|1,0,0]=2 680 B5R0.5 O=C(O)C(Cl)Cl 095059 [0,1,0,0,0,0|1,0,0]=2 681 B5R0.5 O=C(O)C(F)F 001231 [0,1,0,0,0,0|1,0,0]=2 682 B5R0.5 O=C(O)C(F)F 019092 [0,1,0,0,0,0|1,0,0]=2 683 B5R0.5 O=C(O)C(O)O 143700 [0,1,0,0,0,0|1,0,0]=2 684 B5R0.5 O=C([O-])C(=O)[O-] 104091 [0,1,0,0,0,0|1,0,2]=4 685 B5R0.5 O=C([O-])C(=O)[O-] 492462 [0,1,0,0,0,0|1,0,2]=4 686 B5R0.5 O=C([O-])C(Cl)Cl 462644 [0,1,0,0,0,0|1,0,1]=3 687 B5R0.5 O=C([O-])C(F)F 010327 [0,1,0,0,0,0|1,0,1]=3 688 B5R1.2 NC1CCC1 003370 [0,0,0,1,0,0|2,0,1]=4 689 B5R1.2 O=C1CCC1 033237 [0,0,0,1,0,0|1,0,0]=2 690 B5R1.2 O=C1CCO1 167800 [0,0,0,1,0,0|0,0,0]=1 691 B5R1.2 O=C1COC1 044814 [0,0,0,1,0,0|2,0,0]=3 692 B5R1.2 OC1CCC1 003407 [0,0,0,1,0,0|1,0,1]=3 693 B5R1.2 OC1CNC1 013898 [0,0,0,1,0,0|2,0,1]=4 694 B5R1.2 OC1COC1 069085 [0,0,0,1,0,0|2,0,1]=4 695 B5R1.3 BrCC1CO1 BR1167 [0,0,0,1,0,0|2,0,1]=4 696 B5R1.3 CCC1CO1 046729 [0,0,0,1,0,0|1,0,1]=3 697 B5R1.3 ClCC1CO1 095340 [0,0,0,1,0,0|2,0,1]=4 698 B5R1.3 ClC[C@@H]1CO1 023907 [0,0,0,1,0,0|2,0,1]=4 699 B5R1.3 ClC[C@H]1CO1 023906 [0,0,0,1,0,0|2,0,1]=4 700 B5R1.3 OCC1CO1 349304 [0,0,0,1,0,0|2,0,1]=4 701 B5R1.3 OC[C@@H]1CO1 208588 [0,0,0,1,0,0|2,0,1]=4 702 B5R1.3 OC[C@H]1CO1 091841 [0,0,0,1,0,0|2,0,1]=4 703 B2R0.1 BrCBr 098925 [2,0,0,0,0,0|2,0,0]=4 704 B2R0.1 C=CBr 102637 [2,0,0,0,0,0|1,0,1]=4 705 B2R0.1 C=CBr 102732 [2,0,0,0,0,0|1,0,1]=4 706 B2R0.1 C=CI 001550 [2,0,0,0,0,0|1,0,1]=4 707 B2R0.1 CC#N 035906 [2,0,0,0,0,0|1,0,1]=4 708 B2R0.1 CC#N 046131 [2,0,0,0,0,0|1,0,1]=4 709 B2R0.1 CC#N 099891 [2,0,0,0,0,0|1,0,1]=4 710 B2R0.1 CC#N 102928 [2,0,0,0,0,0|1,0,1]=4 711 B2R0.1 CC#N 105527 [2,0,0,0,0,0|1,0,1]=4 712 B2R0.1 CC#N 995231 [2,0,0,0,0,0|1,0,1]=4 713 B2R0.1 CCBr 099072 [2,0,0,0,0,0|1,0,0]=3 714 B2R0.1 CCI 043865 [2,0,0,0,0,0|1,0,0]=3 715 B2R0.1 CCO 098441 [2,0,0,0,0,0|0,0,0]=2 716 B2R0.1 CCS 094484 [2,0,0,0,0,0|0,1,0]=3 717 B2R0.1 CC[Mg+] 102036 [2,0,0,0,0,0|1,0,0]=3 718 B2R0.1 CC[O-] 098858 [2,0,0,0,0,0|0,0,1]=3 719 B2R0.1 CC[O-] 099616 [2,0,0,0,0,0|0,0,1]=3 720 B2R0.1 CC[O-] 101878 [2,0,0,0,0,0|0,0,1]=3 721 B2R0.1 CC[O-] 103437 [2,0,0,0,0,0|0,0,1]=3 722 B2R0.1 CC[S-] 513565 [2,0,0,0,0,0|0,1,0]=3 723 B2R0.1 CNC 005043 [2,0,0,0,0,0|1,0,1]=4 724 B2R0.1 CNC 043439 [2,0,0,0,0,0|1,0,1]=4 725 B2R0.1 CNC 044754 [2,0,0,0,0,0|1,0,1]=4 726 B2R0.1 CNC 051280 [2,0,0,0,0,0|1,0,1]=4 727 B2R0.1 CNC 094464 [2,0,0,0,0,0|1,0,1]=4 728 B2R0.1 CNC 099111 [2,0,0,0,0,0|1,0,1]=4 729 B2R0.1 CNC 102391 [2,0,0,0,0,0|1,0,1]=4 730 B2R0.1 CNN 098853 [2,0,0,0,0,0|2,0,0]=4 731 B2R0.1 CNO 216314 [2,0,0,0,0,0|1,0,0]=3 732 B2R0.1 COC 106294 [2,0,0,0,0,0|1,0,1]=4 733 B2R0.1 CON 078603 [2,0,0,0,0,0|2,0,0]=4 734 B2R0.1 CON 102867 [2,0,0,0,0,0|2,0,0]=4 735 B2R0.1 CON 103750 [2,0,0,0,0,0|2,0,0]=4 736 B2R0.1 CSC 043438 [2,0,0,0,0,0|1,0,1]=4 737 B2R0.1 CSC 094888 [2,0,0,0,0,0|1,0,1]=4 738 B2R0.1 CSC 097632 [2,0,0,0,0,0|1,0,1]=4 739 B2R0.1 C[Mg]Br 102010 [2,0,0,0,0,0|2,0,0]=4 740 B2R0.1 C[Mg]Cl 051152 [2,0,0,0,0,0|2,0,0]=4 741 B2R0.1 ClCCl 035912 [2,0,0,0,0,0|2,0,0]=4 742 B2R0.1 ClCCl 044694 [2,0,0,0,0,0|2,0,0]=4 743 B2R0.1 ClCCl 099900 [2,0,0,0,0,0|2,0,0]=4 744 B2R0.1 ClCI 067664 [2,0,0,0,0,0|2,0,0]=4 745 B2R0.1 ICI 043330 [2,0,0,0,0,0|2,0,0]=4 746 B2R0.1 N=CN 091852 [2,0,0,0,0,0|2,0,0]=4 747 B2R0.1 NC=O 099032 [2,0,0,0,0,0|1,0,0]=3 748 B2R0.1 NC=O 099410 [2,0,0,0,0,0|1,0,0]=3 749 B2R0.1 O=CO 080324 [2,0,0,0,0,0|0,0,0]=2 750 B2R0.1 O=CO 093996 [2,0,0,0,0,0|0,0,0]=2 751 B2R0.1 O=CO 105096 [2,0,0,0,0,0|0,0,0]=2 752 B2R0.1 O=CO 105523 [2,0,0,0,0,0|0,0,0]=2 753 B2R0.1 O=C[O-] 094457 [2,0,0,0,0,0|0,0,1]=3 754 B2R0.1 O=C[O-] 094820 [2,0,0,0,0,0|0,0,1]=3 755 B2R0.1 O=C[O-] 095809 [2,0,0,0,0,0|0,0,1]=3 756 B2R0.1 O=C[O-] 102560 [2,0,0,0,0,0|0,0,1]=3 757 B2R0.1 O=C[O-] 494107 [2,0,0,0,0,0|0,0,1]=3 758 B2R0.1 O=N[O-] 035920 [2,0,0,0,0,0|1,0,1]=4 759 B2R0.1 O=N[O-] 099177 [2,0,0,0,0,0|1,0,1]=4 760 B2R0.1 O=N[O-] 099451 [2,0,0,0,0,0|1,0,1]=4 761 B2R0.1 O=N[O-] 102425 [2,0,0,0,0,0|1,0,1]=4 762 B2R0.1 O=N[O-] 102838 [2,0,0,0,0,0|1,0,1]=4 763 B2R0.1 O=N[O-] 492496 [2,0,0,0,0,0|1,0,1]=4 764 B2R0.1 O=[Cr]=O 098844 [2,0,0,0,0,0|1,0,1]=4 765 B2R0.1 O=[Mn]=O 094454 [2,0,0,0,0,0|1,0,1]=4 766 B2R0.1 O=[Mo]=O 245629 [2,0,0,0,0,0|1,0,1]=4 767 B2R0.1 O=[Ru]=O 051245 [2,0,0,0,0,0|1,0,1]=4 768 B2R0.1 O=[Ru]=O 104837 [2,0,0,0,0,0|1,0,1]=4 769 B2R0.1 O=[Sb-]=O 105583 [2,0,0,0,0,0|1,0,1]=4 770 B2R0.1 O=[Se]=O 097778 [2,0,0,0,0,0|1,0,1]=4 771 B2R0.1 O=[Si]=O 098442 [2,0,0,0,0,0|0,1,1]=4 772 B2R0.1 O=[Si]=O 099075 [2,0,0,0,0,0|0,1,1]=4 773 B2R0.1 O=[Si]=O 099275 [2,0,0,0,0,0|0,1,1]=4 774 B2R0.1 O=[Si]=O 099442 [2,0,0,0,0,0|0,1,1]=4 775 B2R0.1 O=[Si]=O 099546 [2,0,0,0,0,0|0,1,1]=4 776 B2R0.1 O=[Si]=O 099883 [2,0,0,0,0,0|0,1,1]=4 777 B2R0.1 O=[Si]=O 104723 [2,0,0,0,0,0|0,1,1]=4 778 B2R0.1 O=[Si]=O 105677 [2,0,0,0,0,0|0,1,1]=4 779 B2R0.1 O=[Si]=O 105915 [2,0,0,0,0,0|0,1,1]=4 780 B2R0.1 O=[Si]=O S25266 [2,0,0,0,0,0|0,1,1]=4 781 B2R0.1 O=[Ti]=O 098934 [2,0,0,0,0,0|1,0,1]=4 782 B2R0.1 O=[Ti]=O 105936 [2,0,0,0,0,0|1,0,1]=4 783 B2R0.1 O[Ba]O 098840 [2,0,0,0,0,0|1,0,1]=4 784 B2R0.1 O[Pd]O 075132 [2,0,0,0,0,0|1,0,1]=4 785 B2R0.1 [2H]OC 105206 [2,0,0,0,0,0|2,0,0]=4 786 B4R0.2 BrCCCBr 003830 [1,1,0,0,0,0|1,0,1]=4 787 B4R0.2 C#CCCBr 093952 [1,1,0,0,0,0|1,0,1]=4 788 B4R0.2 C#CCCC 164100 [1,1,0,0,0,0|1,0,1]=4 789 B4R0.2 C#CCCN 235851 [1,1,0,0,0,0|1,0,1]=4 790 B4R0.2 C#CCCO 009077 [1,1,0,0,0,0|0,0,2]=4 791 B4R0.2 C#CCOC 044755 [1,1,0,0,0,0|1,0,1]=4 792 B4R0.2 C#COCC 050428 [1,1,0,0,0,0|1,0,1]=4 793 B4R0.2 C=CCC#N 355220 [1,1,0,0,0,0|1,0,1]=4 794 B4R0.2 C=CCCBr 010654 [1,1,0,0,0,0|1,0,0]=3 795 B4R0.2 C=CCCCl 106339 [1,1,0,0,0,0|1,0,0]=3 796 B4R0.2 C=CCCI 103032 [1,1,0,0,0,0|1,0,0]=3 797 B4R0.2 C=CCCO 114900 [1,1,0,0,0,0|1,0,0]=3 798 B4R0.2 C=CCNC 069326 [1,1,0,0,0,0|1,0,0]=3 799 B4R0.2 C=CCON 471484 [1,1,0,0,0,0|2,0,0]=4 800 B4R0.2 C=CCSC 106338 [1,1,0,0,0,0|1,0,0]=3 801 B4R0.2 C=CC[Pd]Cl 046130 [1,1,0,0,0,0|2,0,0]=4 802 B4R0.2 CC#CCO 009076 [1,1,0,0,0,0|0,0,2]=4 803 B4R0.2 CCCC#N 046731 [1,1,0,0,0,0|1,0,1]=4 804 B4R0.2 CCCC=O 094987 [1,1,0,0,0,0|0,0,0]=2 805 B4R0.2 CCCCBr 098944 [1,1,0,0,0,0|1,0,1]=4 806 B4R0.2 CCCCC 995196 [1,1,0,0,0,0|1,0,1]=4 807 B4R0.2 CCCCI 094442 [1,1,0,0,0,0|1,0,1]=4 808 B4R0.2 CCCCN 094792 [1,1,0,0,0,0|1,0,1]=4 809 B4R0.2 CCCCO 035921 [1,1,0,0,0,0|0,0,1]=3 810 B4R0.2 CCCCO 075156 [1,1,0,0,0,0|0,0,1]=3 811 B4R0.2 CCCCO 101601 [1,1,0,0,0,0|0,0,1]=3 812 B4R0.2 CCCCS 046727 [1,1,0,0,0,0|0,1,1]=4 813 B4R0.2 CCCC[Mg+] 102041 [1,1,0,0,0,0|1,0,1]=4 814 B4R0.2 CCCC[S-] 104802 [1,1,0,0,0,0|0,1,1]=4 815 B4R0.2 CCCNC 056258 [1,1,0,0,0,0|1,0,1]=4 816 B4R0.2 CCN=C=S 053245 [1,1,0,0,0,0|0,1,1]=4 817 B4R0.2 CCNC=O 099258 [1,1,0,0,0,0|0,0,0]=2 818 B4R0.2 CCNCC 043314 [1,1,0,0,0,0|1,0,1]=4 819 B4R0.2 CCNCC 129100 [1,1,0,0,0,0|1,0,1]=4 820 B4R0.2 CCOC=N 099169 [1,1,0,0,0,0|1,0,0]=3 821 B4R0.2 CCOC=O 044728 [1,1,0,0,0,0|0,0,0]=2 822 B4R0.2 CCOCC 075236 [1,1,0,0,0,0|1,0,1]=4 823 B4R0.2 CCOCC 099494 [1,1,0,0,0,0|1,0,1]=4 824 B4R0.2 CCOCC 101608 [1,1,0,0,0,0|1,0,1]=4 825 B4R0.2 CCOCC 105564 [1,1,0,0,0,0|1,0,1]=4 826 B4R0.2 CCOCCl 005431 [1,1,0,0,0,0|1,0,1]=4 827 B4R0.2 CC[SiH2]CC S06500 [1,1,0,0,0,0|1,0,1]=4 828 B4R0.2 CC[Zn]CC 098867 [1,1,0,0,0,0|1,0,1]=4 829 B4R0.2 CC[Zn]CC 098978 [1,1,0,0,0,0|1,0,1]=4 830 B4R0.2 CNCC#N 078723 [1,1,0,0,0,0|1,0,1]=4 831 B4R0.2 CNCC#N 238940 [1,1,0,0,0,0|1,0,1]=4 832 B4R0.2 CNCCN 094592 [1,1,0,0,0,0|1,0,1]=4 833 B4R0.2 CNCCO 095022 [1,1,0,0,0,0|0,0,1]=3 834 B4R0.2 COCC#N 002451 [1,1,0,0,0,0|1,0,1]=4 835 B4R0.2 COCCBr 005433 [1,1,0,0,0,0|1,0,1]=4 836 B4R0.2 COCCN 046846 [1,1,0,0,0,0|1,0,1]=4 837 B4R0.2 COCCO 043320 [1,1,0,0,0,0|0,0,1]=3 838 B4R0.2 COCCO 102150 [1,1,0,0,0,0|0,0,1]=3 839 B4R0.2 COCOC 094560 [1,1,0,0,0,0|1,0,1]=4 840 B4R0.2 CSCCCl 044921 [1,1,0,0,0,0|1,0,1]=4 841 B4R0.2 CSCCO 003087 [1,1,0,0,0,0|0,0,1]=3 842 B4R0.2 C\C=C\C#N 099018 [1,1,0,0,0,0|1,0,1]=4 843 B4R0.2 C\C=C\C=O 245633 [1,1,0,0,0,0|0,0,1]=3 844 B4R0.2 C\C=C\CBr 103776 [1,1,0,0,0,0|1,0,1]=4 845 B4R0.2 C\C=C\CO 103771 [1,1,0,0,0,0|0,0,1]=3 846 B4R0.2 ClCCCBr 094507 [1,1,0,0,0,0|1,0,1]=4 847 B4R0.2 ClCCCCl 101461 [1,1,0,0,0,0|1,0,1]=4 848 B4R0.2 ClCCCI 001486 [1,1,0,0,0,0|1,0,1]=4 849 B4R0.2 Cl\C=C\CCl 358262 [1,1,0,0,0,0|1,0,1]=4 850 B4R0.2 FCCCI 095368 [1,1,0,0,0,0|1,0,1]=4 851 B4R0.2 ICCCI 003098 [1,1,0,0,0,0|1,0,1]=4 852 B4R0.2 N#CCCBr 227728 [1,1,0,0,0,0|1,0,1]=4 853 B4R0.2 N#CCCCl 076020 [1,1,0,0,0,0|1,0,1]=4 854 B4R0.2 N#CCCI 101901 [1,1,0,0,0,0|1,0,1]=4 855 B4R0.2 N#CCCN 105100 [1,1,0,0,0,0|1,0,1]=4 856 B4R0.2 N#CCCO 005000 [1,1,0,0,0,0|0,0,2]=4 857 B4R0.2 NCCCBr 079493 [1,1,0,0,0,0|1,0,1]=4 858 B4R0.2 NCCCCl 095817 [1,1,0,0,0,0|1,0,1]=4 859 B4R0.2 NCCCN 094590 [1,1,0,0,0,0|1,0,1]=4 860 B4R0.2 NCCCO 099680 [1,1,0,0,0,0|0,0,1]=3 861 B4R0.2 NNCCO 069293 [1,1,0,0,0,0|1,0,1]=4 862 B4R0.2 O=C[N-]C=O 019259 [1,1,0,0,0,0|1,0,1]=4 863 B4R0.2 OCCCBr 047460 [1,1,0,0,0,0|0,0,1]=3 864 B4R0.2 OCCCCl 024840 [1,1,0,0,0,0|0,0,1]=3 865 B4R0.2 OCCCF 010306 [1,1,0,0,0,0|0,0,1]=3 866 B4R0.2 OCCCI 002583 [1,1,0,0,0,0|0,0,1]=3 867 B4R0.2 OCCCO 095066 [1,1,0,0,0,0|0,0,1]=3 868 B4R0.2 SCCCCl 099136 [1,1,0,0,0,0|0,1,1]=4 869 B4R0.2 SCCCS 101936 [1,1,0,0,0,0|0,1,1]=4 870 B4R0.2 [Li]CCCC 044819 [1,1,0,0,0,0|1,0,1]=4 871 B4R0.3 CC(C)(C)O 099337 [1,1,0,0,0,0|1,0,1]=4 872 B4R0.3 CC(C)(C)O 101619 [1,1,0,0,0,0|1,0,1]=4 873 B4R0.3 CC(C)(C)O 114800 [1,1,0,0,0,0|1,0,1]=4 874 B4R0.3 CS(=O)(=O)Cl 009736 [1,1,0,0,0,0|1,0,1]=4 875 B4R0.3 CS(=O)(=O)F 002449 [1,1,0,0,0,0|1,0,1]=4 876 B4R0.3 CS(=O)(=O)O 104028 [1,1,0,0,0,0|1,0,0]=3 877 B4R0.3 CS(=O)(=O)O 152800 [1,1,0,0,0,0|1,0,0]=3 878 B4R0.3 CS(C)(=O)=O 358427 [1,1,0,0,0,0|1,0,1]=4 879 B4R0.3 CS(N)(=O)=O 003505 [1,1,0,0,0,0|1,0,1]=4 880 B4R0.3 C[Re](=O)(=O)=O 050673 [1,1,0,0,0,0|1,0,1]=4 881 B4R0.3 C[S+](C)(C)=O 053301 [1,1,0,0,0,0|2,0,0]=4 882 B4R0.3 C[S+](C)(C)=O 175100 [1,1,0,0,0,0|2,0,0]=4 883 B4R0.3 C[Si](C)(C)O 078729 [1,1,0,0,0,0|1,1,0]=4 884 B4R0.3 C[Si]([O-])(O)O S15050 [1,1,0,0,0,0|0,1,1]=4 885 B4R0.3 NS(=O)(=O)O 093965 [1,1,0,0,0,0|2,0,0]=4 886 B4R0.3 NS(=O)(=O)O 103807 [1,1,0,0,0,0|2,0,0]=4 887 B4R0.3 O=Cl(=O)(=O)O 104741 [1,1,0,0,0,0|2,0,0]=4 888 B4R0.3 O=I(=O)(=O)O 099761 [1,1,0,0,0,0|2,0,0]=4 889 B4R0.3 O=P(O)(F)F 010227 [1,1,0,0,0,0|2,0,0]=4 890 B4R0.3 O=P(O)(O)O 094524 [1,1,0,0,0,0|2,0,0]=4 891 B4R0.3 O=P(O)(O)O 094676 [1,1,0,0,0,0|2,0,0]=4 892 B4R0.3 O=P(O)(O)O 099856 [1,1,0,0,0,0|2,0,0]=4 893 B4R0.3 O=P(O)(O)O 102724 [1,1,0,0,0,0|2,0,0]=4 894 B4R0.3 O=P(O)(O)O 102910 [1,1,0,0,0,0|2,0,0]=4 895 B4R0.3 O=P(O)(O)O 102917 [1,1,0,0,0,0|2,0,0]=4 896 B4R0.3 O=P(O)(O)O 105502 [1,1,0,0,0,0|2,0,0]=4 897 B4R0.3 O=P(O)(O)O 106681 [1,1,0,0,0,0|2,0,0]=4 898 B4R0.3 O=P([O-])(O)O 094578 [1,1,0,0,0,0|2,0,0]=4 899 B4R0.3 O=P([O-])(O)O 094596 [1,1,0,0,0,0|2,0,0]=4 900 B4R0.3 O=P([O-])(O)O 094741 [1,1,0,0,0,0|2,0,0]=4 901 B4R0.3 O=P([O-])(O)O 095388 [1,1,0,0,0,0|2,0,0]=4 902 B4R0.3 O=P([O-])(O)O 099485 [1,1,0,0,0,0|2,0,0]=4 903 B4R0.3 O=P([O-])(O)O 099682 [1,1,0,0,0,0|2,0,0]=4 904 B4R0.3 O=P([O-])(O)O 102554 [1,1,0,0,0,0|2,0,0]=4 905 B4R0.3 O=P([O-])(O)O 102716 [1,1,0,0,0,0|2,0,0]=4 906 B4R0.3 O=P([O-])(O)O 102948 [1,1,0,0,0,0|2,0,0]=4 907 B4R0.3 O=P([O-])(O)O 103508 [1,1,0,0,0,0|2,0,0]=4 908 B4R0.3 O=P([O-])([O-])O 094672 [1,1,0,0,0,0|2,0,0]=4 909 B4R0.3 O=P([O-])([O-])O 095370 [1,1,0,0,0,0|2,0,0]=4 910 B4R0.3 O=P([O-])([O-])O 095385 [1,1,0,0,0,0|2,0,0]=4 911 B4R0.3 O=P([O-])([O-])O 099369 [1,1,0,0,0,0|2,0,0]=4 912 B4R0.3 O=P([O-])([O-])O 099396 [1,1,0,0,0,0|2,0,0]=4 913 B4R0.3 O=P([O-])([O-])O 102023 [1,1,0,0,0,0|2,0,0]=4 914 B4R0.3 O=P([O-])([O-])O 102133 [1,1,0,0,0,0|2,0,0]=4 915 B4R0.3 O=P([O-])([O-])O 102134 [1,1,0,0,0,0|2,0,0]=4 916 B4R0.3 O=P([O-])([O-])O 102840 [1,1,0,0,0,0|2,0,0]=4 917 B4R0.3 O=P([O-])([O-])O 102841 [1,1,0,0,0,0|2,0,0]=4 918 B4R0.3 O=P([O-])([O-])O 102909 [1,1,0,0,0,0|2,0,0]=4 919 B4R0.3 O=P([O-])([O-])O 102947 [1,1,0,0,0,0|2,0,0]=4 920 B4R0.3 O=P([O-])([O-])O 104997 [1,1,0,0,0,0|2,0,0]=4 921 B4R0.3 O=P([O-])([O-])O 494403 [1,1,0,0,0,0|2,0,0]=4 922 B4R0.3 O=S(=O)(O)Cl 044858 [1,1,0,0,0,0|2,0,0]=4 923 B4R0.3 O=S(=O)(O)O 094432 [1,1,0,0,0,0|2,0,0]=4 924 B4R0.3 O=S(=O)(O)O 094702 [1,1,0,0,0,0|2,0,0]=4 925 B4R0.3 O=S(=O)(O)O 098361 [1,1,0,0,0,0|2,0,0]=4 926 B4R0.3 O=S(=O)(O)O 098802 [1,1,0,0,0,0|2,0,0]=4 927 B4R0.3 O=S(=O)(O)O 098842 [1,1,0,0,0,0|2,0,0]=4 928 B4R0.3 O=S(=O)(O)O 099133 [1,1,0,0,0,0|2,0,0]=4 929 B4R0.3 O=S(=O)(O)O 099364 [1,1,0,0,0,0|2,0,0]=4 930 B4R0.3 O=S(=O)(O)O 099477 [1,1,0,0,0,0|2,0,0]=4 931 B4R0.3 O=S(=O)(O)O 099651 [1,1,0,0,0,0|2,0,0]=4 932 B4R0.3 O=S(=O)(O)O 102126 [1,1,0,0,0,0|2,0,0]=4 933 B4R0.3 O=S(=O)(O)O 102138 [1,1,0,0,0,0|2,0,0]=4 934 B4R0.3 O=S(=O)(O)O 102240 [1,1,0,0,0,0|2,0,0]=4 935 B4R0.3 O=S(=O)(O)O 102627 [1,1,0,0,0,0|2,0,0]=4 936 B4R0.3 O=S(=O)(O)O 104078 [1,1,0,0,0,0|2,0,0]=4 937 B4R0.3 O=S(=O)(O)O 104724 [1,1,0,0,0,0|2,0,0]=4 938 B4R0.3 O=S(=O)(O)O 105822 [1,1,0,0,0,0|2,0,0]=4 939 B4R0.3 O=S(=O)(O)O 238783 [1,1,0,0,0,0|2,0,0]=4 940 B4R0.3 O=S(=O)([O-])O 091214 [1,1,0,0,0,0|2,0,0]=4 941 B4R0.3 O=S(=O)([O-])O 097620 [1,1,0,0,0,0|2,0,0]=4 942 B4R0.3 O=S(=O)([O-])O 102957 [1,1,0,0,0,0|2,0,0]=4 943 B4R0.3 O=[As]([O-])([O-])O 494352 [1,1,0,0,0,0|2,0,0]=4 944 B4R0.3 O=[Mo](=O)(O)O 094597 [1,1,0,0,0,0|2,0,0]=4 945 B4R0.3 O=[Mo](=O)(O)O 102688 [1,1,0,0,0,0|2,0,0]=4 946 B4R0.3 O=[W](=O)(O)O 095122 [1,1,0,0,0,0|2,0,0]=4 947 B6R0.1 C#CC(=O)OCC 003001 [0,2,0,0,0,0|1,0,0]=3 948 B6R0.1 C=CC(=O)NCO 243116 [0,2,0,0,0,0|0,0,2]=4 949 B6R0.1 C=CC(=O)OCC 094594 [0,2,0,0,0,0|1,0,0]=3 950 B6R0.1 C=CC(O)CCC 241561 [0,2,0,0,0,0|1,0,1]=4 951 B6R0.1 C=CCC(=O)OC 513980 [0,2,0,0,0,0|0,0,1]=3 952 B6R0.1 C=COC(=O)CC 005111 [0,2,0,0,0,0|0,0,0]=2 953 B6R0.1 CC#CC(=O)OC 155800 [0,2,0,0,0,0|0,0,1]=3 954 B6R0.1 CCC(C)N=C=O 365573 [0,2,0,0,0,0|1,0,1]=4 955 B6R0.1 CCC(N)COC 046850 [0,2,0,0,0,0|1,0,1]=4 956 B6R0.1 CCC(O)COC 375173 [0,2,0,0,0,0|0,0,2]=4 957 B6R0.1 CCCC(=O)NN 018345 [0,2,0,0,0,0|1,0,0]=3 958 B6R0.1 CCCC(=O)OC 358407 [0,2,0,0,0,0|0,0,0]=2 959 B6R0.1 CCCC(C)C=O 520881 [0,2,0,0,0,0|1,0,1]=4 960 B6R0.1 CCCC(O)CO 242929 [0,2,0,0,0,0|0,0,2]=4 961 B6R0.1 CCNC(=O)CCl 069838 [0,2,0,0,0,0|1,0,0]=3 962 B6R0.1 CCNC(=O)CN 075036 [0,2,0,0,0,0|1,0,0]=3 963 B6R0.1 CCNC(=O)OC 104168 [0,2,0,0,0,0|0,0,0]=2 964 B6R0.1 CCOC(=O)C#N 046945 [0,2,0,0,0,0|1,0,0]=3 965 B6R0.1 CCOC(=O)C=O 079534 [0,2,0,0,0,0|0,0,1]=3 966 B6R0.1 CCOC(=O)CBr 006091 [0,2,0,0,0,0|1,0,0]=3 967 B6R0.1 CCOC(=O)CC 094652 [0,2,0,0,0,0|0,0,0]=2 968 B6R0.1 CCOC(=O)CCl 097784 [0,2,0,0,0,0|1,0,0]=3 969 B6R0.1 CCOC(=O)CF 019465 [0,2,0,0,0,0|1,0,0]=3 970 B6R0.1 CCOC(=O)CI 324768 [0,2,0,0,0,0|1,0,0]=3 971 B6R0.1 CCOC(=O)CN 094472 [0,2,0,0,0,0|1,0,0]=3 972 B6R0.1 CCOC(=O)CO 227697 [0,2,0,0,0,0|0,0,0]=2 973 B6R0.1 CCOC(=O)CS 099611 [0,2,0,0,0,0|0,1,0]=3 974 B6R0.1 CCOC(=O)NN 208618 [0,2,0,0,0,0|1,0,0]=3 975 B6R0.1 CCOC(=S)S[K] 033163 [0,2,0,0,0,0|0,2,0]=4 976 B6R0.1 CCO\C(C)=N/O 036372 [0,2,0,0,0,0|1,0,0]=3 977 B6R0.1 CC\C=C(/C)C=O 103302 [0,2,0,0,0,0|1,0,0]=3 978 B6R0.1 CNC(=O)CC#N 078007 [0,2,0,0,0,0|1,0,1]=4 979 B6R0.1 CNC(=O)CCBr 104783 [0,2,0,0,0,0|1,0,0]=3 980 B6R0.1 CNCC(=O)OC M03234 [0,2,0,0,0,0|0,0,0]=2 981 B6R0.1 CNCC(O)CO 208621 [0,2,0,0,0,0|0,0,2]=4 982 B6R0.1 COC(=O)CC#N 034870 [0,2,0,0,0,0|0,0,1]=3 983 B6R0.1 COC(=O)CCBr 216315 [0,2,0,0,0,0|0,0,0]=2 984 B6R0.1 COC(=O)CCI 103108 [0,2,0,0,0,0|0,0,0]=2 985 B6R0.1 COC(=O)CCN 032703 [0,2,0,0,0,0|0,0,0]=2 986 B6R0.1 COC(=O)CCO 223297 [0,2,0,0,0,0|0,0,0]=2 987 B6R0.1 COC(=O)CCS 053164 [0,2,0,0,0,0|0,0,0]=2 988 B6R0.1 COC(=O)CSC 002978 [0,2,0,0,0,0|0,0,0]=2 989 B6R0.1 COC(=O)\C=C\[O-] 102950 [0,2,0,0,0,0|0,0,2]=4 990 B6R0.1 COCC(=O)NN 005975 [0,2,0,0,0,0|1,0,0]=3 991 B6R0.1 COCC(=O)OC 358440 [0,2,0,0,0,0|0,0,0]=2 992 B6R0.1 C[C@@H](CO)CCN 103282 [0,2,0,0,0,0|1,0,1]=4 993 B6R0.1 C\C=C\C(=O)OC 236942 [0,2,0,0,0,0|0,0,1]=3 994 B6R0.1 O=C(CCl)NCO 242902 [0,2,0,0,0,0|1,0,0]=3 995 B6R0.1 OC(CBr)CCBr BR1637 [0,2,0,0,0,0|1,0,1]=4 996 B6R0.1 [C-]#[N+]CC(=O)OC 358364 [0,2,0,0,0,0|0,0,1]=3 997 B6R0.2 C=C(C)OC(C)=O 101993 [0,2,0,0,0,0|1,0,1]=4 998 B6R0.2 CC(=O)C=C(C)C 098815 [0,2,0,0,0,0|1,0,1]=4 999 B6R0.2 CC(=O)CC(C)=O 100600 [0,2,0,0,0,0|1,0,0]=3 1000 B6R0.2 CC(=O)CC(C)C 044985 [0,2,0,0,0,0|1,0,0]=3 1001 B6R0.2 CC(=O)CC(C)C 102383 [0,2,0,0,0,0|1,0,0]=3 1002 B6R0.2 CC(=O)CC(N)=O 444419 [0,2,0,0,0,0|1,0,0]=3 1003 B6R0.2 CC(=O)NC(C)C 208609 [0,2,0,0,0,0|1,0,0]=3 1004 B6R0.2 CC(=O)NC(N)=O 349305 [0,2,0,0,0,0|1,0,1]=4 1005 B6R0.2 CC(=O)OC(C)=O 035908 [0,2,0,0,0,0|1,0,1]=4 1006 B6R0.2 CC(=O)OC(C)=O 099749 [0,2,0,0,0,0|1,0,1]=4 1007 B6R0.2 CC(=O)OC(C)C 099370 [0,2,0,0,0,0|1,0,0]=3 1008 B6R0.2 CC(=O)[CH-]C(C)=O 450501 [0,2,0,0,0,0|1,0,1]=4 1009 B6R0.2 CC(=O)\C=C(\C)[O-] 095827 [0,2,0,0,0,0|1,0,1]=4 1010 B6R0.2 CC(=O)\C=C(\C)[O-] 102213 [0,2,0,0,0,0|1,0,1]=4 1011 B6R0.2 CC(=O)\C=C(\C)[O-] 103716 [0,2,0,0,0,0|1,0,1]=4 1012 B6R0.2 CC(=O)\C=C(\C)[O-] 103741 [0,2,0,0,0,0|1,0,1]=4 1013 B6R0.2 CC(=O)\C=C(\C)[O-] 415350 [0,2,0,0,0,0|1,0,1]=4 1014 B6R0.2 CC(=O)\C=C(\C)[O-] 494110 [0,2,0,0,0,0|1,0,1]=4 1015 B6R0.2 CC(=[OH+])C=C(C)O 245745 [0,2,0,0,0,0|1,0,1]=4 1016 B6R0.2 CC(C)=CC(=O)Cl 438394 [0,2,0,0,0,0|1,0,1]=4 1017 B6R0.2 CC(C)=CC(=O)O 208603 [0,2,0,0,0,0|0,0,1]=3 1018 B6R0.2 CC(C)=NC(C)C 022053 [0,2,0,0,0,0|2,0,0]=4 1019 B6R0.2 CC(C)CB(O)O 045297 [0,2,0,0,0,0|1,0,1]=4 1020 B6R0.2 CC(C)CC(=O)Cl 520885 [0,2,0,0,0,0|1,0,0]=3 1021 B6R0.2 CC(C)CC(=O)O 242835 [0,2,0,0,0,0|0,0,0]=2 1022 B6R0.2 CC(C)CC(C)O 242810 [0,2,0,0,0,0|1,0,1]=4 1023 B6R0.2 CC(C)CC(N)=O 342138 [0,2,0,0,0,0|1,0,0]=3 1024 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,2,0,0,0,0|1,0,1]=4 1025 B6R0.2 CC(C)NC(N)=O 101565 [0,2,0,0,0,0|1,0,0]=3 1026 B6R0.2 CC(C)NC(N)=S 018760 [0,2,0,0,0,0|1,1,0]=4 1027 B6R0.2 CC(Cl)OC(=O)Cl 019459 [0,2,0,0,0,0|1,0,0]=3 1028 B6R0.2 CC(N)CC(=O)O 208617 [0,2,0,0,0,0|0,0,0]=2 1029 B6R0.2 CC(O)CN(C)C 092070 [0,2,0,0,0,0|1,0,1]=4 1030 B6R0.2 CN(C)CC(=O)O 044353 [0,2,0,0,0,0|0,0,0]=2 1031 B6R0.2 CN(C)CC(=O)O 216339 [0,2,0,0,0,0|0,0,0]=2 1032 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,2,0,0,0,0|0,0,0]=2 1033 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,2,0,0,0,0|0,0,0]=2 1034 B6R0.2 N=C(N)CC(N)=O 242690 [0,2,0,0,0,0|1,0,1]=4 1035 B6R0.2 NC(=O)CC(N)=O 094932 [0,2,0,0,0,0|1,0,1]=4 1036 B6R0.2 O=C(O)C=C(Cl)Cl 075588 [0,2,0,0,0,0|0,0,2]=4 1037 B6R0.2 O=C(O)CC(=O)O 020000 [0,2,0,0,0,0|0,0,1]=3 1038 B6R0.3 C#CC(O)C(C)C 104538 [0,2,0,0,0,0|1,0,1]=4 1039 B6R0.3 C(F)(F)C(=O)OC 006791 [0,2,0,0,0,0|1,0,0]=3 1040 B6R0.3 C=C(C)C(=O)NC 241594 [0,2,0,0,0,0|1,0,1]=4 1041 B6R0.3 C=C(C)C(=O)OC 995248 [0,2,0,0,0,0|0,0,1]=3 1042 B6R0.3 C=C(F)C(=O)OC 092134 [0,2,0,0,0,0|0,0,2]=4 1043 B6R0.3 C=CC(=O)N(C)C 046781 [0,2,0,0,0,0|2,0,0]=4 1044 B6R0.3 C=CN(C)C(C)=O 235676 [0,2,0,0,0,0|2,0,0]=4 1045 B6R0.3 CC(=O)\C(C)=N\O 099089 [0,2,0,0,0,0|1,0,1]=4 1046 B6R0.3 CC(C)C(=O)CBr 079016 [0,2,0,0,0,0|1,0,0]=3 1047 B6R0.3 CC(C)C(=O)NN 019317 [0,2,0,0,0,0|1,0,0]=3 1048 B6R0.3 CC(C)C(N)CO 323960 [0,2,0,0,0,0|1,0,1]=4 1049 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,2,0,0,0,0|1,0,1]=4 1050 B6R0.3 CC(C)[C@H](N)CO M03447 [0,2,0,0,0,0|1,0,1]=4 1051 B6R0.3 CC(C)\C(N)=N\O 061505 [0,2,0,0,0,0|1,0,0]=3 1052 B6R0.3 CC(CN)C(=O)O 226386 [0,2,0,0,0,0|0,0,0]=2 1053 B6R0.3 CCC(=O)C(C)=O 464570 [0,2,0,0,0,0|0,0,1]=3 1054 B6R0.3 CCC(=O)C(C)C 386812 [0,2,0,0,0,0|1,0,0]=3 1055 B6R0.3 CCC(=O)N(C)C 235586 [0,2,0,0,0,0|1,0,0]=3 1056 B6R0.3 CCC(Br)C(=O)Br 241269 [0,2,0,0,0,0|1,0,0]=3 1057 B6R0.3 CCC(Br)C(=O)O 242857 [0,2,0,0,0,0|0,0,0]=2 1058 B6R0.3 CCC(C)B(O)O 208610 [0,2,0,0,0,0|1,0,1]=4 1059 B6R0.3 CCC(C)C(=O)Cl 102938 [0,2,0,0,0,0|1,0,0]=3 1060 B6R0.3 CCC(C)C(=O)O 155900 [0,2,0,0,0,0|0,0,0]=2 1061 B6R0.3 CCC(C)C(C)O 103328 [0,2,0,0,0,0|1,0,1]=4 1062 B6R0.3 CCC(C)C(N)=O 102996 [0,2,0,0,0,0|1,0,0]=3 1063 B6R0.3 CCC(N)C(=O)O M01290 [0,2,0,0,0,0|0,0,0]=2 1064 B6R0.3 CCC(O)C(C)C 240664 [0,2,0,0,0,0|1,0,1]=4 1065 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,2,0,0,0,0|0,0,0]=2 1066 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,2,0,0,0,0|0,0,0]=2 1067 B6R0.3 CN(C)C(=O)CBr 043801 [0,2,0,0,0,0|2,0,0]=4 1068 B6R0.3 CN(C)C(=O)CCl 067830 [0,2,0,0,0,0|2,0,0]=4 1069 B6R0.3 CN(C)C(=O)CN 463150 [0,2,0,0,0,0|2,0,0]=4 1070 B6R0.3 CN(N=O)C(N)=O 098373 [0,2,0,0,0,0|2,0,0]=4 1071 B6R0.3 CNC(=O)C(=O)O 023479 [0,2,0,0,0,0|0,0,1]=3 1072 B6R0.3 CNC(=O)C(C)Br 369255 [0,2,0,0,0,0|1,0,0]=3 1073 B6R0.3 CNC(=O)C(C)C 541993 [0,2,0,0,0,0|1,0,0]=3 1074 B6R0.3 CNC(=O)C(C)Cl 310451 [0,2,0,0,0,0|1,0,0]=3 1075 B6R0.3 CNC(=O)C(F)Br 034756 [0,2,0,0,0,0|2,0,0]=4 1076 B6R0.3 CNC(C)C(=O)O 075290 [0,2,0,0,0,0|0,0,0]=2 1077 B6R0.3 CN[C@@H](C)C(=O)O 075289 [0,2,0,0,0,0|0,0,0]=2 1078 B6R0.3 CN[C@H](C)C(=O)O 075291 [0,2,0,0,0,0|0,0,0]=2 1079 B6R0.3 COC(=O)C(=O)Cl 386747 [0,2,0,0,0,0|1,0,1]=4 1080 B6R0.3 COC(=O)C(C)=O 094169 [0,2,0,0,0,0|0,0,1]=3 1081 B6R0.3 COC(=O)C(C)Br 006778 [0,2,0,0,0,0|0,0,0]=2 1082 B6R0.3 COC(=O)C(C)C 097703 [0,2,0,0,0,0|0,0,0]=2 1083 B6R0.3 COC(=O)C(C)Cl 239017 [0,2,0,0,0,0|0,0,0]=2 1084 B6R0.3 COC(=O)C(C)N 003683 [0,2,0,0,0,0|0,0,0]=2 1085 B6R0.3 COC(=O)C(C)N 003684 [0,2,0,0,0,0|0,0,0]=2 1086 B6R0.3 COC(=O)C(C)O 103470 [0,2,0,0,0,0|0,0,0]=2 1087 B6R0.3 COC(=O)C(Cl)Cl 340479 [0,2,0,0,0,0|1,0,0]=3 1088 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [0,2,0,0,0,0|0,0,0]=2 1089 B6R0.3 COC(=O)[C@@H](C)N 005452 [0,2,0,0,0,0|0,0,0]=2 1090 B6R0.3 COC(=O)[C@@H](C)O 219745 [0,2,0,0,0,0|0,0,0]=2 1091 B6R0.3 COC(=O)[C@H](C)Cl 328935 [0,2,0,0,0,0|0,0,0]=2 1092 B6R0.3 COC(=O)[C@H](C)O 099823 [0,2,0,0,0,0|0,0,0]=2 1093 B6R0.3 CON(C)C(C)=O 153700 [0,2,0,0,0,0|2,0,0]=4 1094 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,2,0,0,0,0|0,0,0]=2 1095 B6R0.3 C\C=C(/C)C(=O)O 099810 [0,2,0,0,0,0|0,0,1]=3 1096 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,2,0,0,0,0|1,0,0]=3 1097 B6R0.3 NC(CO)C(=O)O 093750 [0,2,0,0,0,0|0,0,0]=2 1098 B6R0.3 NC(CS)C(=O)O 241173 [0,2,0,0,0,0|0,0,0]=2 1099 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,2,0,0,0,0|0,0,0]=2 1100 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,2,0,0,0,0|0,0,0]=2 1101 B6R0.3 N[C@@H](CS)C(=O)O 093727 [0,2,0,0,0,0|0,0,0]=2 1102 B6R0.3 N[C@@H](CS)C(=O)O 102087 [0,2,0,0,0,0|0,0,0]=2 1103 B6R0.3 N[C@@H](CS)C(=O)O 318726 [0,2,0,0,0,0|0,0,0]=2 1104 B6R0.3 N[C@@H](CS)C(=O)O M03086 [0,2,0,0,0,0|0,0,0]=2 1105 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,2,0,0,0,0|0,0,0]=2 1106 B6R0.3 N[C@H](CS)C(=O)O 036386 [0,2,0,0,0,0|0,0,0]=2 1107 B6R0.3 N[C@H](CS)C(=O)O 049424 [0,2,0,0,0,0|0,0,0]=2 1108 B6R0.3 O=C(O)C(Br)CBr 077984 [0,2,0,0,0,0|0,0,0]=2 1109 B6R0.3 O=C(O)C(O)CO 143500 [0,2,0,0,0,0|0,0,0]=2 1110 B6R0.4 C#CCCC(=O)O 164204 [0,2,0,0,0,0|0,0,0]=2 1111 B6R0.4 C#CCNC(C)=O 471787 [0,2,0,0,0,0|1,0,1]=4 1112 B6R0.4 C#CCOC(C)=O 167000 [0,2,0,0,0,0|1,0,1]=4 1113 B6R0.4 C(CC)=CC(=O)O 001396 [0,2,0,0,0,0|0,0,0]=2 1114 B6R0.4 C=C(C)CNCC 098963 [0,2,0,0,0,0|2,0,0]=4 1115 B6R0.4 C=CCCC(=O)O 002777 [0,2,0,0,0,0|0,0,0]=2 1116 B6R0.4 C=CCCC(C)=O 358446 [0,2,0,0,0,0|1,0,0]=3 1117 B6R0.4 C=CCNC(C)=O 103870 [0,2,0,0,0,0|1,0,1]=4 1118 B6R0.4 C=CCOC(=O)Cl 099832 [0,2,0,0,0,0|1,0,1]=4 1119 B6R0.4 C=CCOC(C)=O 099570 [0,2,0,0,0,0|1,0,1]=4 1120 B6R0.4 CC(=O)CCCCl 326218 [0,2,0,0,0,0|1,0,0]=3 1121 B6R0.4 CC(=O)CCCO 093373 [0,2,0,0,0,0|1,0,0]=3 1122 B6R0.4 CC(=O)NCCN 226270 [0,2,0,0,0,0|1,0,0]=3 1123 B6R0.4 CC(=O)NCCO 094790 [0,2,0,0,0,0|1,0,0]=3 1124 B6R0.4 CC(=O)NCCS 106473 [0,2,0,0,0,0|1,0,0]=3 1125 B6R0.4 CC(=O)OCCBr 024963 [0,2,0,0,0,0|1,0,0]=3 1126 B6R0.4 CC(=O)OCCO 046708 [0,2,0,0,0,0|1,0,0]=3 1127 B6R0.4 CC(O)CCCO 386330 [0,2,0,0,0,0|1,0,1]=4 1128 B6R0.4 CCC#CC(=O)O 164200 [0,2,0,0,0,0|0,0,0]=2 1129 B6R0.4 CCC#CC(C)O 105445 [0,2,0,0,0,0|1,0,1]=4 1130 B6R0.4 CCCCB(O)O 010773 [0,2,0,0,0,0|1,0,1]=4 1131 B6R0.4 CCCCC(=O)Cl 099590 [0,2,0,0,0,0|1,0,0]=3 1132 B6R0.4 CCCCC(=O)O 066625 [0,2,0,0,0,0|0,0,0]=2 1133 B6R0.4 CCCCC(C)=O 098350 [0,2,0,0,0,0|1,0,0]=3 1134 B6R0.4 CCCCC(N)=O 176500 [0,2,0,0,0,0|1,0,0]=3 1135 B6R0.4 CCCC[C@@H](C)O 036116 [0,2,0,0,0,0|1,0,1]=4 1136 B6R0.4 CCCNC(C)=O 099232 [0,2,0,0,0,0|1,0,0]=3 1137 B6R0.4 CCCNC(N)=S 018984 [0,2,0,0,0,0|1,1,0]=4 1138 B6R0.4 CCCOC(C)=O 104128 [0,2,0,0,0,0|1,0,0]=3 1139 B6R0.4 CCOCC(=O)O 461062 [0,2,0,0,0,0|0,0,0]=2 1140 B6R0.4 CCSCC(=O)O 001760 [0,2,0,0,0,0|0,0,0]=2 1141 B6R0.4 COCCC(=O)Cl 014676 [0,2,0,0,0,0|1,0,0]=3 1142 B6R0.4 COCCC(=O)O 091199 [0,2,0,0,0,0|0,0,0]=2 1143 B6R0.4 COCCC(N)=O 091205 [0,2,0,0,0,0|1,0,0]=3 1144 B6R0.4 CO\C=C\C(C)=O 099154 [0,2,0,0,0,0|1,0,1]=4 1145 B6R0.4 CSCCC(=O)O 013666 [0,2,0,0,0,0|0,0,0]=2 1146 B6R0.4 NC(=O)NCCO 319865 [0,2,0,0,0,0|1,0,0]=3 1147 B6R0.4 NC(=O)OCCCl 103494 [0,2,0,0,0,0|1,0,0]=3 1148 B6R0.4 NCCCC(=O)O 005047 [0,2,0,0,0,0|0,0,0]=2 1149 B6R0.4 NCCNC(N)=O 033079 [0,2,0,0,0,0|1,0,0]=3 1150 B6R0.4 O=C(Cl)CCCBr 001349 [0,2,0,0,0,0|1,0,0]=3 1151 B6R0.4 O=C(Cl)CCCCl 099540 [0,2,0,0,0,0|1,0,0]=3 1152 B6R0.4 O=C(O)CCCBr 043390 [0,2,0,0,0,0|0,0,0]=2 1153 B6R0.4 O=C([O-])CNCO 226097 [0,2,0,0,0,0|0,0,1]=3 1154 B6R0.4 O=CCCC(=O)O 103323 [0,2,0,0,0,0|0,0,0]=2 1155 B6R0.5 CC(C)(O)CCO 099109 [0,2,0,0,0,0|1,0,1]=4 1156 B6R0.5 CCCC(C)(C)O 356177 [0,2,0,0,0,0|1,0,1]=4 1157 B6R0.5 CCCP(=O)(O)O 102644 [0,2,0,0,0,0|1,0,0]=3 1158 B6R0.5 CCCS(=O)(=O)Cl 094413 [0,2,0,0,0,0|1,0,1]=4 1159 B6R0.5 CCOS(C)(=O)=O 001758 [0,2,0,0,0,0|1,0,1]=4 1160 B6R0.5 CNCC(C)(C)O 323417 [0,2,0,0,0,0|1,0,1]=4 1161 B6R0.5 COCC(C)(C)O 304271 [0,2,0,0,0,0|1,0,1]=4 1162 B6R0.5 CS(=O)(=O)CCN 035902 [0,2,0,0,0,0|1,0,1]=4 1163 B6R0.5 CS(=O)(=O)CCO 002961 [0,2,0,0,0,0|1,0,1]=4 1164 B6R0.5 NCCP(=O)(O)O 240267 [0,2,0,0,0,0|1,0,0]=3 1165 B6R0.5 NCCS(=O)(=O)O 094516 [0,2,0,0,0,0|1,0,0]=3 1166 B6R0.5 NCCS(N)(=O)=O 044164 [0,2,0,0,0,0|1,0,1]=4 1167 B6R0.5 O=S(=O)(Cl)CCCl 099437 [0,2,0,0,0,0|1,0,1]=4 1168 B6R0.5 O=S(=O)([O-])CCO 225614 [0,2,0,0,0,0|1,0,1]=4 1169 B6R0.5 O=S(=O)([O-])CCS 036581 [0,2,0,0,0,0|1,0,1]=4 1170 B6R0.8 C#CC(C)(O)CC 506763 [0,2,0,0,0,0|1,0,1]=4 1171 B6R0.8 C=CS(=O)(=O)CC 002475 [0,2,0,0,0,0|1,0,1]=4 1172 B6R0.8 COP(=O)(Cl)OC 104690 [0,2,0,0,0,0|2,0,0]=4 1173 B6R0.8 COP(=O)(O)OC 239785 [0,2,0,0,0,0|2,0,0]=4 1174 B6R0.8 COS(=O)(=O)OC 098977 [0,2,0,0,0,0|2,0,0]=4 1175 B6R0.9 CCC(C=O)CC 245909 [0,2,0,0,0,0|1,0,1]=4 1176 B6R0.9 CCC(CC)CO 093975 [0,2,0,0,0,0|1,0,1]=4 1177 B6R0.9 CCC(CN)OC 041816 [0,2,0,0,0,0|1,0,1]=4 1178 B6R0.9 CCN(C=O)CC 049814 [0,2,0,0,0,0|2,0,0]=4 1179 B6R0.9 COC(C=O)OC 105790 [0,2,0,0,0,0|1,0,1]=4 1180 B6R0.7 CC(=O)C(C)(C)C 003453 [0,2,0,0,0,0|1,0,0]=3 1181 B6R0.7 CC(=O)C(C)(C)O 092081 [0,2,0,0,0,0|1,0,0]=3 1182 B6R0.7 CC(=O)C(F)(F)F 007468 [0,2,0,0,0,0|2,0,0]=4 1183 B6R0.7 CC(C)(Br)C(=O)Br 098961 [0,2,0,0,0,0|1,0,0]=3 1184 B6R0.7 CC(C)(Br)C(=O)O 075177 [0,2,0,0,0,0|0,0,0]=2 1185 B6R0.7 CC(C)(Br)C(N)=O 323860 [0,2,0,0,0,0|1,0,0]=3 1186 B6R0.7 CC(C)(C)C(=N)N 069303 [0,2,0,0,0,0|2,0,0]=4 1187 B6R0.7 CC(C)(C)C(=O)Cl 080298 [0,2,0,0,0,0|1,0,0]=3 1188 B6R0.7 CC(C)(C)C(=O)O 218406 [0,2,0,0,0,0|0,0,0]=2 1189 B6R0.7 CC(C)(C)C(=O)[O-] 053854 [0,2,0,0,0,0|0,0,1]=3 1190 B6R0.7 CC(C)(C)C(N)=O 093938 [0,2,0,0,0,0|1,0,0]=3 1191 B6R0.7 CC(C)(C)C(N)=S 044516 [0,2,0,0,0,0|1,1,0]=4 1192 B6R0.7 CC(C)(C)S(N)=O 034514 [0,2,0,0,0,0|2,0,0]=4 1193 B6R0.7 CC(C)(C)[N+](=O)[O-] 342016 [0,2,0,0,0,0|1,0,1]=4 1194 B6R0.7 CC(C)(C)[S@@](N)=O 034299 [0,2,0,0,0,0|2,0,0]=4 1195 B6R0.7 CC(C)(C)[S@@](N)=O 102733 [0,2,0,0,0,0|2,0,0]=4 1196 B6R0.7 CC(C)(C)[S@](N)=O 040040 [0,2,0,0,0,0|2,0,0]=4 1197 B6R0.7 CC(C)(Cl)[N+](=O)[O-] 099762 [0,2,0,0,0,0|1,0,1]=4 1198 B6R0.7 CC(C)(F)C(=O)O 013150 [0,2,0,0,0,0|0,0,0]=2 1199 B6R0.7 CC(C)(F)C(N)=O 062794 [0,2,0,0,0,0|1,0,0]=3 1200 B6R0.7 CC(C)(N)C(=O)O 078899 [0,2,0,0,0,0|0,0,0]=2 1201 B6R0.7 CC(C)(O)C(=O)O 214584 [0,2,0,0,0,0|0,0,0]=2 1202 B6R0.7 CC(C)S(=O)(=O)Cl 001772 [0,2,0,0,0,0|1,0,1]=4 1203 B6R0.7 CC(C)S(N)(=O)=O 230484 [0,2,0,0,0,0|1,0,1]=4 1204 B6R0.7 CC(F)(F)C(=O)O 010408 [0,2,0,0,0,0|0,0,0]=2 1205 B6R0.7 CC(F)(F)C(N)=O 037202 [0,2,0,0,0,0|1,0,0]=3 1206 B6R0.7 CC(O)C(C)(C)C 103394 [0,2,0,0,0,0|1,0,1]=4 1207 B6R0.7 NC(=O)C(Cl)(Cl)Cl 242842 [0,2,0,0,0,0|2,0,0]=4 1208 B6R0.7 NC(=O)C(F)(F)Br 033292 [0,2,0,0,0,0|2,0,0]=4 1209 B6R0.7 NC(=O)C(F)(F)Cl 004391 [0,2,0,0,0,0|2,0,0]=4 1210 B6R0.7 NC(=O)C(F)(F)F 001220 [0,2,0,0,0,0|2,0,0]=4 1211 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl 173100 [0,2,0,0,0,0|2,0,0]=4 1212 B6R0.7 O=C(Cl)C(F)(F)Br 010428 [0,2,0,0,0,0|2,0,0]=4 1213 B6R0.7 O=C(Cl)C(F)(F)F 007473 [0,2,0,0,0,0|2,0,0]=4 1214 B6R0.7 O=C(O)C(Br)(Br)Br 235698 [0,2,0,0,0,0|1,0,0]=3 1215 B6R0.7 O=C(O)C(Cl)(Cl)Cl 005004 [0,2,0,0,0,0|1,0,0]=3 1216 B6R0.7 O=C(O)C(F)(Br)Br 034752 [0,2,0,0,0,0|1,0,0]=3 1217 B6R0.7 O=C(O)C(F)(F)Br 024408 [0,2,0,0,0,0|1,0,0]=3 1218 B6R0.7 O=C(O)C(F)(F)Cl 003151 [0,2,0,0,0,0|1,0,0]=3 1219 B6R0.7 O=C(O)C(F)(F)F 001271 [0,2,0,0,0,0|1,0,0]=3 1220 B6R0.7 O=C(O)C(F)(F)F 001271 [0,2,0,0,0,0|1,0,0]=3 1221 B6R0.7 O=C(O)C(F)(F)F 001271 [0,2,0,0,0,0|1,0,0]=3 1222 B6R0.7 O=C(O)C(F)(F)F 008708 [0,2,0,0,0,0|1,0,0]=3 1223 B6R0.7 O=C(O)C(F)(F)F 019093 [0,2,0,0,0,0|1,0,0]=3 1224 B6R0.7 O=C(O)C(F)(F)F 101562 [0,2,0,0,0,0|1,0,0]=3 1225 B6R0.7 O=C(O)C(F)(F)F 102164 [0,2,0,0,0,0|1,0,0]=3 1226 B6R0.7 O=C(O)C(F)(F)F 102438 [0,2,0,0,0,0|1,0,0]=3 1227 B6R0.7 O=C(O)C(F)(F)F 105899 [0,2,0,0,0,0|1,0,0]=3 1228 B6R0.7 O=C([O-])C(Cl)(Cl)Cl 102851 [0,2,0,0,0,0|1,0,1]=4 1229 B6R0.7 O=C([O-])C(F)(F)Cl 001061 [0,2,0,0,0,0|1,0,1]=4 1230 B6R0.7 O=C([O-])C(F)(F)F 001216 [0,2,0,0,0,0|1,0,1]=4 1231 B6R0.7 O=C([O-])C(F)(F)F 003595 [0,2,0,0,0,0|1,0,1]=4 1232 B6R0.7 O=C([O-])C(F)(F)F 004043 [0,2,0,0,0,0|1,0,1]=4 1233 B6R0.7 O=C([O-])C(F)(F)F 006935 [0,2,0,0,0,0|1,0,1]=4 1234 B6R0.7 O=C([O-])C(F)(F)F 007271 [0,2,0,0,0,0|1,0,1]=4 1235 B6R0.7 O=C([O-])C(F)(F)F 102469 [0,2,0,0,0,0|1,0,1]=4 1236 B6R0.7 O=C([O-])C(F)(F)F 245949 [0,2,0,0,0,0|1,0,1]=4 1237 B4R1.1 C1CNC1 036832 [1,0,0,1,0,0|1,0,1]=4 1238 B4R1.2 BrC1CC1 003373 [1,0,0,1,0,0|1,0,1]=4 1239 B4R1.2 CC1CN1 099002 [1,0,0,1,0,0|1,0,1]=4 1240 B4R1.2 CC1CO1 099315 [1,0,0,1,0,0|0,0,1]=3 1241 B4R1.2 C[C@@H]1CO1 044883 [1,0,0,1,0,0|0,0,1]=3 1242 B4R1.2 C[C@H]1CO1 216312 [1,0,0,1,0,0|0,0,1]=3 1243 B4R1.2 NC1CC1 003712 [1,0,0,1,0,0|1,0,1]=4 1244 B6R1.2 CC1=CCCC1 103763 [0,1,0,1,0,0|2,0,0]=4 1245 B6R1.2 CC1=NCCN1 103446 [0,1,0,1,0,0|2,0,0]=4 1246 B6R1.2 CC1=NCCO1 099141 [0,1,0,1,0,0|1,0,0]=3 1247 B6R1.2 CC1CCCO1 094054 [0,1,0,1,0,0|1,0,1]=4 1248 B6R1.2 NC1=NCCS1 018191 [0,1,0,1,0,0|1,1,0]=4 1249 B6R1.2 NC1=NCCS1 995255 [0,1,0,1,0,0|1,1,0]=4 1250 B6R1.2 NC1CCOC1 208592 [0,1,0,1,0,0|1,0,1]=4 1251 B6R1.2 O=C1C=CCC1 049816 [0,1,0,1,0,0|1,0,0]=3 1252 B6R1.2 O=C1C=CCO1 095003 [0,1,0,1,0,0|0,0,1]=3 1253 B6R1.2 O=C1CCCC1 044205 [0,1,0,1,0,0|1,0,0]=3 1254 B6R1.2 O=C1CCCN1 095374 [0,1,0,1,0,0|1,0,0]=3 1255 B6R1.2 O=C1CCCN1 098215 [0,1,0,1,0,0|1,0,0]=3 1256 B6R1.2 O=C1CCNC1 078709 [0,1,0,1,0,0|1,0,0]=3 1257 B6R1.2 O=C1CCNN1 092652 [0,1,0,1,0,0|1,0,0]=3 1258 B6R1.2 O=C1CCOC1 076836 [0,1,0,1,0,0|0,0,0]=2 1259 B6R1.2 O=C1CCSC1 214765 [0,1,0,1,0,0|0,1,0]=3 1260 B6R1.2 O=C1CNCN1 079854 [0,1,0,1,0,0|1,0,0]=3 1261 B6R1.2 O=C1CS[Ca]O1 095807 [0,1,0,1,0,0|1,0,0]=3 1262 B6R1.2 O=C1NCCN1 078654 [0,1,0,1,0,0|1,0,0]=3 1263 B6R1.2 O=C1NCCO1 216566 [0,1,0,1,0,0|0,0,0]=2 1264 B6R1.2 O=C1NCCS1 215692 [0,1,0,1,0,0|0,1,0]=3 1265 B6R1.2 O=C1OCCO1 094510 [0,1,0,1,0,0|0,0,0]=2 1266 B6R1.2 O=S1CCCC1 001093 [0,1,0,1,0,0|2,0,0]=4 1267 B6R1.2 OC1CCCC1 044840 [0,1,0,1,0,0|1,0,1]=4 1268 B6R1.2 OC1CCNC1 011341 [0,1,0,1,0,0|1,0,1]=4 1269 B6R1.2 OC1CCOC1 005327 [0,1,0,1,0,0|0,0,2]=4 1270 B6R1.2 O[C@@H]1CCNC1 076549 [0,1,0,1,0,0|1,0,1]=4 1271 B6R1.2 O[C@@H]1CCOC1 093765 [0,1,0,1,0,0|0,0,2]=4 1272 B6R1.2 O[C@H]1CCNC1 011760 [0,1,0,1,0,0|1,0,1]=4 1273 B6R1.2 O[C@H]1CCNC1 093058 [0,1,0,1,0,0|1,0,1]=4 1274 B6R1.2 O[C@H]1CCOC1 078070 [0,1,0,1,0,0|0,0,2]=4 1275 B6R1.2 S=C1NCCN1 099092 [0,1,0,1,0,0|1,1,0]=4 1276 B6R1.2 S=C1NCCS1 038194 [0,1,0,1,0,0|0,2,0]=4 1277 B6R1.11 CC(=O)C1CC1 005112 [0,1,0,1,0,0|1,0,0]=3 1278 B6R1.11 CC(O)C1CC1 354573 [0,1,0,1,0,0|1,0,1]=4 1279 B6R1.11 N=C(N)C1CC1 017190 [0,1,0,1,0,0|2,0,0]=4 1280 B6R1.11 NC(=O)C1CC1 079247 [0,1,0,1,0,0|1,0,0]=3 1281 B6R1.11 O=C(Cl)C1CC1 066721 [0,1,0,1,0,0|1,0,0]=3 1282 B6R1.11 O=C(O)C1CC1 009113 [0,1,0,1,0,0|0,0,0]=2 1283 B6R1.11 O=S([O-])C1CC1 024941 [0,1,0,1,0,0|1,0,1]=4 1284 B6R1.11 OB(O)C1CC1 023296 [0,1,0,1,0,0|1,0,1]=4 1285 B6R1.6 OCC1CCC1 009111 [0,1,0,1,0,0|1,0,1]=4