0 B5R0.3 C#CC(=O)OC 067148 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C#CC(O)CC 164300 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=CC(=O)OC 520477 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=CC(C)C#N 106335 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C=CC(O)CC 464567 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CC(CBr)CBr 229847 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.3 CC(CCl)CBr 239837 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 CC(CO)CO 242900 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CCC(=O)CC 094591 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 CCC(=O)NC 103047 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 CCC(Br)CC 358240 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CCC(C)C=O 103622 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 CCC(C)CC 098988 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 CCC(C)CN 013636 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CCC(C)CO 358145 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CCC(C)NN 046283 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 CCC(N)CC 094499 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 CCC(N)CO 091481 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.3 CCC(O)C#N 103338 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.3 CCC(O)CC 358049 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CCC(O)CN 002496 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 CCN(C)CC 493739 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.3 CCN(O)CC 105777 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.3 CCN(O)CC 129600 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.3 CCS(=O)CC 094782 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.3 CC[C@@H](N)CO 012703 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.3 CC[C@H](C)CO 473128 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.3 CC[C@H](N)CO 012704 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 CC\C(C)=N\O 099127 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.3 CNC(=O)NC 358273 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.3 CNC(=S)NC 349139 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.3 COC(=O)C#N 102552 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.3 COC(=O)CBr 006774 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.3 COC(=O)CCl 095344 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.3 COC(=O)CI 103193 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 COC(=O)CN M03021 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.3 COC(=O)CO 227696 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 COC(=O)CS 011917 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.3 COC(=O)NN 094656 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.3 COC(=O)OC 094559 [0,0,0,0,0,0|1,0,1]=2 40 B5R0.3 COC(=O)SCl 002587 [0,0,0,0,0,0|2,1,1]=4 41 B5R0.3 COC(C)OC 104486 [0,0,0,0,0,0|0,0,0]=0 42 B5R0.3 COS(=O)OC 094292 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 CO[PH](=O)OC 098972 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 C\C=C(/C)C=O 245796 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.3 O=C(O[Ag])O[Ag] 051244 [0,0,0,0,0,0|3,0,1]=4 46 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|0,0,2]=3 51 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 CC(=O)OO 102863 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 CC(=O)O[TlH2] 044421 [1,0,0,0,0,0|1,0,2]=4 55 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|1,0,0]=2 68 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|1,1,0]=3 92 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 CN(C)C#N 099034 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 CN(C)C=O 035911 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 CN(C)C=O 046776 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 CN(C)C=O 094267 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 CN(C)C=O 099894 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 CN(C)C=O 106424 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.1 CN(C)C=S 078450 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.1 CNC(C)=O 154700 [1,0,0,0,0,0|1,0,2]=4 102 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 CNN(C)C 040144 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 COC(=N)N 242831 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 COC(=N)N 449588 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 COC(=O)Cl 099160 [1,0,0,0,0,0|1,0,2]=4 107 B4R0.1 COC(C)=O 098761 [1,0,0,0,0,0|0,0,2]=3 108 B4R0.1 COC(Cl)Cl 239032 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 COC(N)=O 080112 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.1 COC(N)=[NH2+] 079024 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 CO[SiH](C)C S07285 [1,0,0,0,0,0|0,1,0]=2 112 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 C[N+](C)=CBr 099927 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.1 C[N+](C)=CCl 046921 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.1 C[SH](C)BCl 102603 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 C[SH](C)[Au]Cl 101972 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 C#CCOC 044755 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.2 C=CCON 471484 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|1,1,1]=4 127 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|3,0,0]=4 133 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|3,0,0]=4 135 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|3,0,0]=4 146 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|2,1,0]=4 147 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|3,0,0]=4 148 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.2 CNCC#N 078723 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.2 CNCC#N 238940 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.2 COCC#N 002451 [1,0,0,0,0,0|2,0,0]=3 154 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.2 COCCN 046846 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.2 COCCO 043320 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.2 COCCO 102150 [1,0,0,0,0,0|2,0,0]=3 158 B4R0.2 COCOC 094560 [1,0,0,0,0,0|0,0,0]=1 159 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|2,1,0]=4 160 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|2,1,0]=4 161 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.1 C(=O)CC(C)SC 002806 [0,1,0,0,0,0|1,1,1]=4 163 B6R0.1 CC#CC(=O)OC 155800 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.1 CCC(C)N=C=O 365573 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.1 CCC(C)N=C=S 008753 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.1 CCC(C)SC#N 024156 [0,1,0,0,0,0|1,1,1]=4 167 B6R0.1 CCC(N)CCN 479098 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.1 CCC(N)COC 046850 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.1 CCC(O)COC 375173 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.1 CCCC(=O)OC 358407 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.1 CCCC(C)C=O 520881 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.1 CCNC(=O)OC 104168 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.1 CCOC(=O)CC 094652 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.1 CCO\C(C)=N/O 036372 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.1 CNCC(=O)OC M03234 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.1 COC(=O)CCBr 216315 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.1 COC(=O)CCI 103108 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.1 COC(=O)CCN 032703 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.1 COC(=O)CCO 223297 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.1 COC(=O)CCS 053164 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.1 COC(=O)CSC 002978 [0,1,0,0,0,0|1,1,1]=4 182 B6R0.1 COCC(=O)OC 358440 [0,1,0,0,0,0|1,0,1]=3 183 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.1 C\C=C\C(=O)OC 236942 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 C=C(C)C(=O)OC 995248 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.3 CCC(C)B(O)O 208610 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.3 CCC(C)C(=O)Cl 102938 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.3 CCC(C)C(=O)O 155900 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.3 CCC(C)C(N)=O 102996 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.3 CNC(C)C(=O)O 075290 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.3 CN[C@@H](C)C(=O)O 075289 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.3 CN[C@H](C)C(=O)O 075291 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.3 COC(=O)C(C)=O 094169 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.3 COC(=O)C(C)Br 006778 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.3 COC(=O)C(C)C 097703 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.3 COC(=O)C(C)Cl 239017 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 COC(=O)C(C)N 003683 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.3 COC(=O)C(C)N 003684 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.3 COC(=O)C(C)O 103470 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.3 COC(=O)[C@@H](C)N 005452 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.3 COC(=O)[C@@H](C)O 219745 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.3 COC(=O)[C@H](C)Cl 328935 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.3 COC(=O)[C@H](C)O 099823 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.3 CON(C)C(C)=O 153700 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.8 C#CC(C)(O)CC 506763 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.8 CNC(C)(C)CO 340517 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.8 COC(C)(C)CN 043506 [0,1,0,0,0,0|2,0,0]=3 211 B6R0.8 COC(C)(C)OC 032480 [0,1,0,0,0,0|0,0,0]=1 212 B6R0.8 COP(=O)(Cl)OC 104690 [0,1,0,0,0,0|2,0,0]=3 213 B6R0.8 COP(=O)(O)OC 239785 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.8 COS(=O)(=O)OC 098977 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.8 CO[Si](C)(C)OC S07200 [0,1,0,0,0,0|0,1,0]=2 216 B6R0.9 CCC(C=O)CC 245909 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.9 CCC(CC)CO 093975 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.9 CCC(CC)NN 047022 [0,1,0,0,0,0|3,0,0]=4 219 B6R0.9 CCC(CN)OC 041816 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.9 CCN(CC)CC 003029 [0,1,0,0,0,0|3,0,0]=4 221 B6R0.9 CCN(CC)CC 005055 [0,1,0,0,0,0|3,0,0]=4 222 B6R0.9 CCN(CC)CC 005055 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.9 CCN(CC)CC 005055 [0,1,0,0,0,0|3,0,0]=4 224 B6R0.9 CCN(CC)CC 102572 [0,1,0,0,0,0|3,0,0]=4 225 B6R0.9 CCN(CC)CC 104858 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.9 CCN(CC)CC 105729 [0,1,0,0,0,0|3,0,0]=4 227 B6R0.9 CCN(CC)CC 173850 [0,1,0,0,0,0|3,0,0]=4 228 B6R0.9 CCP(CC)CC 101862 [0,1,0,0,0,0|3,0,0]=4 229 B6R0.9 CC[SiH](CC)CC 005243 [0,1,0,0,0,0|2,1,0]=4 230 B6R0.9 COB(OC)OC 044856 [0,1,0,0,0,0|1,0,0]=2 231 B6R0.9 COC(C=O)OC 105790 [0,1,0,0,0,0|0,0,1]=2 232 B6R0.9 COC(CBr)OC 003454 [0,1,0,0,0,0|0,0,0]=1 233 B6R0.9 COC(CCl)OC 099309 [0,1,0,0,0,0|0,0,0]=1 234 B6R0.9 COC(CN)OC 094452 [0,1,0,0,0,0|0,0,0]=1 235 B6R0.9 COC(OC)OC 095019 [0,1,0,0,0,0|0,0,0]=1 236 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|3,0,0]=4 237 B6R1.2 CC1=CCCC1 103763 [0,0,0,1,0,0|2,0,1]=4 238 B6R1.2 CC1=NCCN1 103446 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.2 CC1=NCCO1 099141 [0,0,0,1,0,0|1,0,1]=3 240 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|2,0,0]=3 241 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|1,0,0]=2 242 B6R1.2 CN1CCCC1 046845 [0,0,0,1,0,0|3,0,0]=4 243 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|3,0,0]=4 244 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|3,0,0]=4 245 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|3,0,0]=4 246 B6R1.2 O=C1NCCO1 216566 [0,0,0,1,0,0|2,0,1]=4 247 B6R1.2 O=C1OCCO1 094510 [0,0,0,1,0,0|1,0,1]=3 248 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|3,0,0]=4 249 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|3,0,0]=4 250 B6R1.6 BrCC1CCC1 067868 [0,0,0,1,0,0|3,0,0]=4 251 B6R1.6 COC1CNC1 077415 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.6 ICC1CCC1 099276 [0,0,0,1,0,0|3,0,0]=4 253 B6R1.6 N#CC1CCC1 003364 [0,0,0,1,0,0|3,0,0]=4 254 B6R1.6 OCC1CCC1 009111 [0,0,0,1,0,0|3,0,0]=4 255 B6R1.7 CC1(CCl)CO1 067862 [0,0,0,1,0,0|2,0,0]=3 256 B3R0.1 C#CCO 167200 [2,0,0,0,0,0|1,0,1]=4 257 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|1,0,1]=4 258 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|1,0,1]=4 259 B3R0.1 CC#CC 117205 [2,0,0,0,0,0|1,0,1]=4 260 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|2,0,0]=4 261 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|2,0,0]=4 262 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.1 CCCI 005438 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.1 CCCN 101445 [2,0,0,0,0,0|2,0,0]=4 265 B3R0.1 CCCO 098913 [2,0,0,0,0,0|1,0,0]=3 266 B3R0.1 CCCO 102042 [2,0,0,0,0,0|1,0,0]=3 267 B3R0.1 CCCS 098010 [2,0,0,0,0,0|1,1,0]=4 268 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|1,1,0]=4 269 B3R0.1 CCNC 044624 [2,0,0,0,0,0|1,0,0]=3 270 B3R0.1 CCON 092211 [2,0,0,0,0,0|1,0,0]=3 271 B3R0.1 CNNC 446438 [2,0,0,0,0,0|2,0,0]=4 272 B3R0.1 CNOC 023913 [2,0,0,0,0,0|1,0,0]=3 273 B3R0.1 COC=O 101914 [2,0,0,0,0,0|0,0,2]=4 274 B3R0.1 COCBr 005432 [2,0,0,0,0,0|1,0,0]=3 275 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|1,1,0]=4 276 B3R0.1 CSSC 094878 [2,0,0,0,0,0|0,2,0]=4 277 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|1,0,1]=4 278 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|1,0,1]=4 279 B3R0.1 C\C=N\O 102319 [2,0,0,0,0,0|2,0,0]=4 280 B3R0.1 C\C=N\O 358241 [2,0,0,0,0,0|2,0,0]=4 281 B3R0.1 NCCO 043400 [2,0,0,0,0,0|2,0,0]=4 282 B3R0.1 NCCO 103645 [2,0,0,0,0,0|2,0,0]=4 283 B3R0.1 NCCO 492434 [2,0,0,0,0,0|2,0,0]=4 284 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|2,0,0]=4 285 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|2,0,0]=4 286 B3R0.1 OCCI 001387 [2,0,0,0,0,0|2,0,0]=4 287 B3R0.1 OCCI 102984 [2,0,0,0,0,0|2,0,0]=4 288 B3R0.1 OCCO 044710 [2,0,0,0,0,0|2,0,0]=4 289 B3R0.1 OCCS 003836 [2,0,0,0,0,0|2,0,0]=4 290 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|1,0,0]=3 291 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 292 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|0,0,2]=4 293 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|1,0,1]=4 294 B3R0.2 CB(O)O 214665 [2,0,0,0,0,0|1,0,0]=3 295 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|0,0,2]=4 296 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|0,0,2]=4 297 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|0,0,2]=4 298 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|0,0,2]=4 299 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|0,0,2]=4 300 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|0,0,2]=4 301 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|0,0,2]=4 302 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|0,0,2]=4 303 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|0,0,2]=4 304 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|0,0,2]=4 305 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,2]=4 306 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|0,0,2]=4 307 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|0,0,2]=4 308 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|0,0,2]=4 309 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|0,0,2]=4 310 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,0]=3 311 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,0]=3 312 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,0]=3 313 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,0]=3 314 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,0]=3 315 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,0]=3 316 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,0]=2 317 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,0]=2 318 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,0]=2 319 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,0]=2 320 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,0]=2 321 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,0]=3 322 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,1]=3 323 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,1]=3 324 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,0]=3 325 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 326 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|1,0,0]=3 327 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|1,0,0]=3 328 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|1,0,0]=3 329 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|1,0,0]=3 330 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|1,0,0]=3 331 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|1,0,0]=3 332 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|1,0,0]=3 333 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|2,0,0]=4 334 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,0]=3 335 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|1,0,0]=3 336 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,0,1]=4 337 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,0,1]=4 339 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|1,0,0]=3 340 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|1,1,0]=4 341 B3R0.2 O=C(O)O 094746 [2,0,0,0,0,0|1,0,1]=4 342 B3R0.2 O=C(O)O 105338 [2,0,0,0,0,0|1,0,1]=4 343 B3R0.2 O=C(O)O 105407 [2,0,0,0,0,0|1,0,1]=4 344 B3R0.2 O=[Si](O)O 101481 [2,0,0,0,0,0|1,1,0]=4 345 B3R0.2 OB(O)O 094443 [2,0,0,0,0,0|2,0,0]=4 346 B3R0.2 OB(O)O 099748 [2,0,0,0,0,0|2,0,0]=4 347 B3R0.2 OB(O)O 103993 [2,0,0,0,0,0|2,0,0]=4 348 B3R0.2 OB(O)O 104270 [2,0,0,0,0,0|2,0,0]=4 349 B3R0.2 OB(O)O 104328 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.1 C#CCC(C)C 104535 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.1 C#CCC(C)O 532537 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.1 C=C(C)OCC 471668 [1,1,0,0,0,0|0,0,2]=4 353 B5R0.1 C=CCC(C)C 106337 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.1 CC(Br)CCBr BR1240 [1,1,0,0,0,0|2,0,0]=4 355 B5R0.1 CC(C)=CCBr 053316 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.1 CC(C)=CCCl 349314 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.1 CC(C)=CCO 358414 [1,1,0,0,0,0|1,0,1]=4 358 B5R0.1 CC(C)CC#N 386919 [1,1,0,0,0,0|1,0,1]=4 359 B5R0.1 CC(C)CC=O 094970 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.1 CC(C)CCBr BR1353 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.1 CC(C)CCI 046949 [1,1,0,0,0,0|1,0,0]=3 362 B5R0.1 CC(C)CCN 097749 [1,1,0,0,0,0|1,0,0]=3 363 B5R0.1 CC(C)CCO 097704 [1,1,0,0,0,0|1,0,0]=3 364 B5R0.1 CC(C)CCO 103352 [1,1,0,0,0,0|1,0,0]=3 365 B5R0.1 CC(C)CCS 358459 [1,1,0,0,0,0|1,0,0]=3 366 B5R0.1 CC(C)CNN 023508 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.1 CC(C)N=C=S 008986 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.1 CC(C)NC=O 103706 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.1 CC(C)SC#N 005915 [1,1,0,0,0,0|0,1,1]=4 370 B5R0.1 CC(O)CCO 099380 [1,1,0,0,0,0|1,0,0]=3 371 B5R0.1 CCCC(C)Br 024476 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.1 CCCC(C)Br BR1101 [1,1,0,0,0,0|2,0,0]=4 373 B5R0.1 CCCC(C)C 098758 [1,1,0,0,0,0|1,0,0]=3 374 B5R0.1 CCCC(C)N 097754 [1,1,0,0,0,0|2,0,0]=4 375 B5R0.1 CCCC(C)O 099024 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.1 CCCC(C)S 070734 [1,1,0,0,0,0|1,1,0]=4 377 B5R0.1 CCC[C@H](C)O 036089 [1,1,0,0,0,0|1,0,0]=3 378 B5R0.1 CCNC(C)C 057128 [1,1,0,0,0,0|1,0,0]=3 379 B5R0.1 CCOC(C)=N 239394 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.1 CCOC(C)=O 035909 [1,1,0,0,0,0|0,0,2]=4 381 B5R0.1 CCOC(C)=O 099553 [1,1,0,0,0,0|0,0,2]=4 382 B5R0.1 CCOC(C)=O 099895 [1,1,0,0,0,0|0,0,2]=4 383 B5R0.1 CN(C)CCBr 077959 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.1 CN(C)CCCl 077638 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.1 CN(C)CCN 043851 [1,1,0,0,0,0|2,0,0]=4 386 B5R0.1 CN(C)CCO 044665 [1,1,0,0,0,0|2,0,0]=4 387 B5R0.1 CN(C)CCS 450419 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.1 CNCC(C)C 047078 [1,1,0,0,0,0|1,0,0]=3 389 B5R0.1 COCC(=O)O 237785 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.1 COCC(C)=O 002450 [1,1,0,0,0,0|0,0,2]=4 391 B5R0.1 COCC(C)N 402335 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.1 COCC(C)O 093985 [1,1,0,0,0,0|0,0,0]=2 393 B5R0.1 COC[C@@H](C)N 079780 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.1 COC[C@@H](C)O 036090 [1,1,0,0,0,0|0,0,0]=2 395 B5R0.1 C[C@@H](N)CCO 092790 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.1 C[C@@H](O)CCO 041923 [1,1,0,0,0,0|1,0,0]=3 397 B5R0.1 C[C@H](N)CCO 092789 [1,1,0,0,0,0|2,0,0]=4 398 B5R0.1 C[C@H](O)CCO 041922 [1,1,0,0,0,0|1,0,0]=3 399 B5R0.4 BNC(C)(C)C 101999 [1,1,0,0,0,0|2,0,0]=4 400 B5R0.4 C#CC(C)(C)C 134000 [1,1,0,0,0,0|1,0,1]=4 401 B5R0.4 C#CC(C)(C)Cl 009094 [1,1,0,0,0,0|1,0,1]=4 402 B5R0.4 C#CC(C)(C)N 030955 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.4 C#CC(C)(C)O 077701 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.4 C=CC(C)(C)C 098818 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.4 C=CC(C)(C)O 051281 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.4 CC(C)(Br)CBr 003878 [1,1,0,0,0,0|2,0,0]=4 407 B5R0.4 CC(C)(C)C#N 350843 [1,1,0,0,0,0|2,0,0]=4 408 B5R0.4 CC(C)(C)C=O 095838 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.4 CC(C)(C)CI 099189 [1,1,0,0,0,0|2,0,0]=4 410 B5R0.4 CC(C)(C)CN 160000 [1,1,0,0,0,0|2,0,0]=4 411 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|2,0,0]=4 412 B5R0.4 CC(C)(C)NN 042252 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.4 CC(C)(C)NO 069319 [1,1,0,0,0,0|2,0,0]=4 414 B5R0.4 CC(C)(C)[Mg]Cl 102582 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.4 CC(C)(C)[Mg]Cl 104904 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.4 CC(C)(N)CN 051242 [1,1,0,0,0,0|2,0,0]=4 417 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|2,0,0]=4 418 B5R0.4 CC(C)(O)C#N 102614 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|2,0,0]=4 420 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|2,0,0]=4 421 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|2,0,0]=4 422 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|1,0,0]=3 425 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|1,0,0]=3 426 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|1,0,0]=3 427 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.4 CC[Si](C)(C)Cl 005276 [1,1,0,0,0,0|1,1,0]=4 431 B5R0.4 CNC(C)(C)C 024302 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|0,0,0]=2 433 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|0,0,0]=2 434 B5R0.4 COC(C)(C)C 099538 [1,1,0,0,0,0|0,0,0]=2 435 B5R0.4 CO[Si](C)(C)C S10974 [1,1,0,0,0,0|0,1,0]=3 436 B5R0.4 [C-]#[N+]C(C)(C)C 021022 [1,1,0,0,0,0|1,0,1]=4 437 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.5 CC(=O)N(C)C 044923 [1,1,0,0,0,0|2,0,0]=4 441 B5R0.5 CC(=O)N(C)C 103880 [1,1,0,0,0,0|2,0,0]=4 442 B5R0.5 CC(=O)N(C)C 105121 [1,1,0,0,0,0|2,0,0]=4 443 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.5 CC(C)=C(C)C 358426 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.5 CC(C)B(O)O 065614 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.5 CC(C)C(=N)N 017191 [1,1,0,0,0,0|2,0,0]=4 447 B5R0.5 CC(C)C(=O)Cl 005019 [1,1,0,0,0,0|2,0,0]=4 448 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|1,0,0]=3 450 B5R0.5 CC(C)C(N)=O 091536 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.5 CC(C)N(C)C 103843 [1,1,0,0,0,0|1,0,0]=3 452 B5R0.5 CC(C)S(=O)[O-] 035599 [1,1,0,0,0,0|1,1,0]=4 453 B5R0.5 CC(C)[N+](=O)[O-] 098355 [1,1,0,0,0,0|2,0,0]=4 454 B5R0.5 CC(O)C(=O)O 995229 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.5 CC(O)C(=O)[O-] 492494 [1,1,0,0,0,0|2,0,0]=4 456 B5R0.5 CC(O)C(N)=O 341750 [1,1,0,0,0,0|2,0,0]=4 457 B5R0.5 CN(C)N(C)C 062214 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.5 CN(C)[SiH](C)C S07525 [1,1,0,0,0,0|1,1,0]=4 459 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,1,0,0,0,0|2,0,0]=4 460 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,1,0,0,0,0|2,0,0]=4 461 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,1,0,0,0,0|2,0,0]=4 462 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|1,0,0]=3 463 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|2,0,0]=4 464 B5R0.5 C[C@H](O)C(=O)O 103316 [1,1,0,0,0,0|2,0,0]=4 465 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,1,0,0,0,0|2,0,0]=4 466 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|1,0,0]=3 467 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|1,0,0]=3 468 B5R0.2 CC#CCCC 145600 [1,1,0,0,0,0|2,0,0]=4 469 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|2,0,0]=4 470 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|2,0,0]=4 477 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|2,0,0]=4 478 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|2,0,0]=4 480 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|2,0,0]=4 481 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|2,0,0]=4 482 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|2,0,0]=4 483 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.2 CNCCNC 043850 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.2 COCCC#N 154600 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|1,0,0]=3 489 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|1,0,0]=3 490 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|0,0,0]=2 491 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|0,0,0]=2 492 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|1,1,0]=4 493 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|1,1,0]=4 494 B5R0.2 C\C=C\OCC 103024 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.2 CCC(C)NC(C)=O 103813 [0,2,0,0,0,0|2,0,0]=4 496 B7R0.3 C=CCOC(=O)OC 067150 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.3 COCCC(=O)OC 349308 [0,2,0,0,0,0|1,0,1]=4 498 B7R0.3 CO\C=C\C(=O)OC 208663 [0,2,0,0,0,0|1,0,1]=4 499 B7R0.7 CCOC(=O)COC 013938 [0,2,0,0,0,0|1,0,1]=4 500 B7R0.7 CCOC(=O)OCC 094694 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.7 CCOC(C)OCC 358253 [0,2,0,0,0,0|0,0,0]=2 502 B7R0.7 CCOS(=O)OCC 099079 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.7 CCO[PH](=O)OCC 094551 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.7 COCC(N)COC 091645 [0,2,0,0,0,0|1,0,0]=3 505 B7R0.10 CCC(=O)N(C)OC 306492 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.10 CCC(Br)C(=O)OC 006777 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.10 CCC(C)C(=O)NC 102997 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.10 CCC(C)C(=O)OC 035885 [0,2,0,0,0,0|1,0,0]=3 509 B7R0.10 CCC(N)C(=O)OC 241817 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.10 COC(=O)C(=O)OC 094727 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.10 COC(=O)[C@H](C)CBr 104234 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.10 CON(C)C(=O)CCl 230712 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.11 COC(C)(C)CCO 242746 [0,2,0,0,0,0|1,0,0]=3 516 B7R0.12 CNCC(OC)OC 240321 [0,2,0,0,0,0|0,0,0]=2 517 B7R0.12 COC(CC#N)OC 099516 [0,2,0,0,0,0|0,0,0]=2 518 B7R0.12 COC(CCBr)OC 046744 [0,2,0,0,0,0|0,0,0]=2 519 B7R0.12 COCC(OC)OC 152900 [0,2,0,0,0,0|0,0,0]=2 520 B7R0.13 CCC(C)(C)C(C)=O 005871 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.15 CCC(CC)C(C)=O 046100 [0,2,0,0,0,0|2,0,0]=4 522 B7R0.15 COC(OC)C(C)=O 095023 [0,2,0,0,0,0|0,0,0]=2 523 B7R0.15 COC(OC)N(C)C 005030 [0,2,0,0,0,0|0,0,0]=2 524 B7R0.16 CC(=O)C(C)C(C)=O 520882 [0,2,0,0,0,0|2,0,0]=4 525 B7R0.18 C=C[Si](C)(OC)OC S21850 [0,2,0,0,0,0|0,1,0]=3 526 B7R0.18 COC(C)(OC)OC 227758 [0,2,0,0,0,0|0,0,0]=2 527 B7R0.18 COP(=O)(OC)OC 094972 [0,2,0,0,0,0|1,0,0]=3 528 B7R0.18 CO[Si](C)(OC)OC S11825 [0,2,0,0,0,0|0,1,0]=3 529 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|2,0,0]=4 530 B5R1.2 O=C1CCO1 167800 [1,0,0,1,0,0|0,0,2]=4 531 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|1,0,0]=3 532 B5R1.2 OC1CNC1 013898 [1,0,0,1,0,0|2,0,0]=4 533 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|2,0,0]=4 534 B5R1.3 BrCC1CC1 003713 [1,0,0,1,0,0|2,0,0]=4 535 B5R1.3 BrCC1CO1 BR1167 [1,0,0,1,0,0|2,0,0]=4 536 B5R1.3 C#CC1CC1 358398 [1,0,0,1,0,0|1,0,1]=4 537 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|1,0,0]=3 538 B5R1.3 ClCC1CC1 049157 [1,0,0,1,0,0|2,0,0]=4 539 B5R1.3 ClCC1CO1 095340 [1,0,0,1,0,0|2,0,0]=4 540 B5R1.3 ClC[C@@H]1CO1 023907 [1,0,0,1,0,0|2,0,0]=4 541 B5R1.3 ClC[C@H]1CO1 023906 [1,0,0,1,0,0|2,0,0]=4 542 B5R1.3 ICC1CC1 062968 [1,0,0,1,0,0|2,0,0]=4 543 B5R1.3 N#CC1CC1 005110 [1,0,0,1,0,0|2,0,0]=4 544 B5R1.3 NCC1CC1 044419 [1,0,0,1,0,0|2,0,0]=4 545 B5R1.3 NCC1CC1 329340 [1,0,0,1,0,0|2,0,0]=4 546 B5R1.3 O=CC1CC1 065337 [1,0,0,1,0,0|2,0,0]=4 547 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|2,0,0]=4 548 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|2,0,0]=4 549 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|2,0,0]=4 550 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|2,0,0]=4 551 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|0,0,0]=2 552 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|1,0,1]=4 553 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|2,0,0]=4 554 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|1,0,0]=3 555 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|1,0,0]=3 556 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|1,0,0]=3 557 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|1,0,0]=3 558 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|1,0,0]=3 559 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|1,0,0]=3 560 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|1,0,0]=3 561 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|1,0,0]=3 562 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|1,0,0]=3 563 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|1,1,0]=4 564 B5R1.1 C1COCO1 098850 [1,0,0,1,0,0|0,0,0]=2 565 B5R1.1 C1CSCN1 243195 [1,0,0,1,0,0|1,1,0]=4 566 B7R1.1 BrCC1CCCC1 036984 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.1 BrCC1CCCO1 067835 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.1 BrCC1OCCO1 077359 [0,1,0,1,0,0|0,0,0]=2 569 B7R1.1 CCC1=NCCO1 336609 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.1 CNC1CCCC1 024973 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.1 COC1=NCCC1 008046 [0,1,0,1,0,0|1,0,1]=4 572 B7R1.1 COC1CCCC1 094844 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.1 COC1CCCC1 106161 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.1 ClCC1CCCO1 171500 [0,1,0,1,0,0|1,0,0]=3 575 B7R1.1 ClCC1OCCO1 080067 [0,1,0,1,0,0|0,0,0]=2 576 B7R1.1 NCC1CCCO1 094973 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.1 NC[C@@H]1CCCO1 228127 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.1 NC[C@H]1CCCO1 216897 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.1 OCC1CCCC1 067781 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.1 OCC1CCCN1 093752 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.1 OCC1CCCO1 235709 [0,1,0,1,0,0|1,0,0]=3 582 B7R1.1 OCC1CCOC1 208614 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.1 OC[C@@H]1CCCN1 M03445 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.1 OC[C@H]1CCCN1 045535 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.1 OC[C@H]1CCCO1 304017 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,1,0,0|1,0,1]=4 587 B7R1.2 CC1CCC(C)N1 105831 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.2 CC1CCC(O)C1 013642 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.2 CC1COC(=O)O1 044922 [0,1,0,1,0,0|1,0,1]=4 590 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,1,0,1,0,0|1,0,1]=4 591 B7R1.2 O=C1OCC(F)O1 098380 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.3 CC1CCCCC1 013924 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.3 CC1CCCCN1 098820 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.3 CC1CCCNC1 095841 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.3 CC1CCNCC1 005025 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.3 CC1CCNCC1 106043 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.3 CC1CNCCN1 023229 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.3 CC1CNCCO1 075555 [0,1,0,1,0,0|1,0,0]=3 599 B7R1.3 CC1COCCN1 093767 [0,1,0,1,0,0|1,0,0]=3 600 B7R1.3 CC1SCCCS1 069036 [0,1,0,1,0,0|0,2,0]=4 601 B7R1.3 C[C@@H]1CNCCN1 011823 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.3 C[C@H]1CNCCN1 011818 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.3 C[C@H]1CNCCO1 076728 [0,1,0,1,0,0|1,0,0]=3 604 B7R1.3 NC1CCCOC1 041901 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.3 O=C1COCCO1 242965 [0,1,0,1,0,0|1,0,1]=4 606 B7R1.3 OC1CCCCO1 068766 [0,1,0,1,0,0|2,0,0]=4 607 B7R1.3 OC1CCCOC1 047681 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.4 CC1CCCC1=O 217631 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.4 CC1OCCC1S 358069 [0,1,0,1,0,0|1,0,0]=3 610 B7R1.6 CNCC1CCC1 104292 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.22 COC(=O)[C@H]1CO1 225417 [0,1,0,1,0,0|1,0,1]=4 612 B7R1.22 [C@@H]1(C(=O)OC)CO1 493582 [0,1,0,1,0,0|1,0,1]=4 613 B7R1.25 CC1(C=O)COC1 224037 [0,1,0,1,0,0|2,0,0]=4 614 B7R1.25 CC1(CBr)COC1 033204 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.25 CC1(CO)COC1 076843 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.18 CC(=O)C1CCC1 513334 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.14 CC1(C)NCCS1 077828 [0,1,0,1,0,0|1,1,0]=4 618 B7R1.14 CC1(C)OCCO1 103483 [0,1,0,1,0,0|0,0,0]=2 619 B7R1.14 CC1(O)CCCC1 078752 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.14 O=S1(=O)OCCO1 242809 [0,1,0,1,0,0|2,0,0]=4