0 B5R0.1 C#CCC(C)C 104535 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C#CCC(C)O 532537 [0,0,0,0,0,0|0,1,2]=3 2 B5R0.1 C=C(C)CCBr 223736 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=C(C)CCO 358461 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 C=C(C)OCC 471668 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C=CCC(C)C 106337 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(=O)CCCl 069833 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.1 CC(=O)CCO 358442 [0,0,0,0,0,0|1,1,1]=3 8 B5R0.1 CC(=O)NCO 430081 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 CC(Br)CCBr BR1240 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CC(C)=CCBr 053316 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 CC(C)=CCCl 349314 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CC(C)=CCO 358414 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CC(C)CC#N 386919 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CC(C)CC=O 094970 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CC(C)CCBr BR1353 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 CC(C)CCI 046949 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CC(C)CCN 097749 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 CC(C)CCO 097704 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 CC(C)CCO 103352 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 CC(C)CCS 358459 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 CC(C)CNN 023508 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CC(C)N=C=S 008986 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 CC(C)NC=O 103706 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 CC(C)SC#N 005915 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CC(O)CCO 099380 [0,0,0,0,0,0|1,1,0]=2 26 B5R0.1 CCCB(O)O 092177 [0,0,0,0,0,0|2,1,0]=3 27 B5R0.1 CCCC(=O)Cl 098879 [0,0,0,0,0,0|1,1,1]=3 28 B5R0.1 CCCC(=O)O 102473 [0,0,0,0,0,0|1,1,1]=3 29 B5R0.1 CCCC(C)Br 024476 [0,0,0,0,0,0|1,0,0]=1 30 B5R0.1 CCCC(C)Br BR1101 [0,0,0,0,0,0|1,0,0]=1 31 B5R0.1 CCCC(C)C 098758 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.1 CCCC(C)N 097754 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.1 CCCC(C)O 099024 [0,0,0,0,0,0|0,1,0]=1 34 B5R0.1 CCCC(C)S 070734 [0,0,0,0,0,0|0,0,0]=0 35 B5R0.1 CCCC(N)=O 356018 [0,0,0,0,0,0|1,1,1]=3 36 B5R0.1 CCC[C@H](C)O 036089 [0,0,0,0,0,0|0,1,0]=1 37 B5R0.1 CCC[N+](=O)[O-] 520877 [0,0,0,0,0,0|2,1,0]=3 38 B5R0.1 CCNC(C)C 057128 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.1 CCNC(N)=S 099168 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.1 CCOC(=N)N 069301 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 CCOC(=O)Cl 099901 [0,0,0,0,0,0|2,1,1]=4 42 B5R0.1 CCOC(C)=N 239394 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.1 CCOC(C)=O 035909 [0,0,0,0,0,0|1,1,1]=3 44 B5R0.1 CCOC(C)=O 099553 [0,0,0,0,0,0|1,1,1]=3 45 B5R0.1 CCOC(C)=O 099895 [0,0,0,0,0,0|1,1,1]=3 46 B5R0.1 CCOC(N)=O 099367 [0,0,0,0,0,0|2,1,1]=4 47 B5R0.1 CCSC(=N)N 358408 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CN(C)CCBr 077959 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.1 CN(C)CCCl 077638 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.1 CN(C)CCN 043851 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.1 CN(C)CCO 044665 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.1 CN(C)CCS 450419 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.1 CNCC(=O)O 095119 [0,0,0,0,0,0|2,1,1]=4 54 B5R0.1 CNCC(C)C 047078 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.1 COCC(=O)Cl 053542 [0,0,0,0,0,0|2,1,1]=4 56 B5R0.1 COCC(=O)O 237785 [0,0,0,0,0,0|2,1,1]=4 57 B5R0.1 COCC(C)=O 002450 [0,0,0,0,0,0|1,1,1]=3 58 B5R0.1 COCC(C)N 402335 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.1 COCC(C)O 093985 [0,0,0,0,0,0|1,1,0]=2 60 B5R0.1 COC[C@@H](C)N 079780 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.1 COC[C@@H](C)O 036090 [0,0,0,0,0,0|1,1,0]=2 62 B5R0.1 CSCC(=O)O 010416 [0,0,0,0,0,0|2,1,1]=4 63 B5R0.1 CSCC(N)=O 092321 [0,0,0,0,0,0|2,1,1]=4 64 B5R0.1 CSCS(C)=O 303199 [0,0,0,0,0,0|2,1,0]=3 65 B5R0.1 C[C@@H](N)CCO 092790 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.1 C[C@@H](O)CCO 041923 [0,0,0,0,0,0|1,1,0]=2 67 B5R0.1 C[C@H](N)CCO 092789 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.1 C[C@H](O)CCO 041922 [0,0,0,0,0,0|1,1,0]=2 69 B5R0.1 NC(=O)CCBr 456436 [0,0,0,0,0,0|2,1,1]=4 70 B5R0.1 NC(=O)CCCl 180018 [0,0,0,0,0,0|2,1,1]=4 71 B5R0.1 NCCC(=O)O 044720 [0,0,0,0,0,0|2,1,1]=4 72 B5R0.1 NCCC(N)=O 221578 [0,0,0,0,0,0|2,1,1]=4 73 B5R0.1 O=C(Cl)CCBr 104627 [0,0,0,0,0,0|2,1,1]=4 74 B5R0.1 O=C(Cl)CCCl 095162 [0,0,0,0,0,0|2,1,1]=4 75 B5R0.1 O=C(O)CCBr 003025 [0,0,0,0,0,0|2,1,1]=4 76 B5R0.1 O=C(O)CCCl 242740 [0,0,0,0,0,0|2,1,1]=4 77 B5R0.1 O=C(O)CCI 003069 [0,0,0,0,0,0|2,1,1]=4 78 B5R0.1 O=C(O)CCO 147100 [0,0,0,0,0,0|2,1,1]=4 79 B5R0.1 O=C(O)CCS 094485 [0,0,0,0,0,0|2,1,1]=4 80 B5R0.1 O=[N+]([O-])CCO 358303 [0,0,0,0,0,0|3,1,0]=4 81 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|0,1,2]=4 83 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|0,1,2]=4 84 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|0,1,2]=4 85 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|0,1,2]=4 92 B4R0.1 CC(=O)CCl 099980 [1,0,0,0,0,0|1,1,1]=4 93 B4R0.1 CC(=O)CN 078537 [1,0,0,0,0,0|1,1,1]=4 94 B4R0.1 CC(=O)CO 097598 [1,0,0,0,0,0|1,1,1]=4 95 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|3,0,0]=4 105 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|3,0,0]=4 110 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|1,1,0]=3 115 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|1,1,0]=3 116 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|1,1,0]=3 117 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|1,0,2]=4 118 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|2,1,0]=4 119 B4R0.1 CCC(=O)Br BR1194 [1,0,0,0,0,0|1,1,1]=4 120 B4R0.1 CCC(=O)Cl 098881 [1,0,0,0,0,0|1,1,1]=4 121 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|1,1,1]=4 122 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|1,1,1]=4 123 B4R0.1 CCC(=O)[O-] 105990 [1,0,0,0,0,0|1,1,1]=4 124 B4R0.1 CCC(=O)[O-] 106505 [1,0,0,0,0,0|1,1,1]=4 125 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|0,1,1]=3 126 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|0,1,1]=3 127 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|0,1,1]=3 128 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|0,1,1]=3 129 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|1,0,0]=2 130 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|1,0,0]=2 131 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|1,0,0]=2 132 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|1,0,0]=2 133 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|0,1,0]=2 134 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|0,0,0]=1 135 B4R0.1 CCC(N)=O 069325 [1,0,0,0,0,0|1,1,1]=4 136 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 CCS(=O)[O-] 035597 [1,0,0,0,0,0|2,1,0]=4 138 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|0,1,0]=2 139 B4R0.1 CNC(C)=O 154700 [1,0,0,0,0,0|1,1,1]=4 140 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 CNN(C)C 040144 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 COC(C)=O 098761 [1,0,0,0,0,0|1,1,1]=4 143 B4R0.1 COC(Cl)Cl 239032 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.1 CO[SiH](C)C S07285 [1,0,0,0,0,0|2,1,0]=4 145 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|1,1,0]=3 147 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|1,1,0]=3 148 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|2,0,0]=3 149 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|1,1,0]=3 150 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|1,1,0]=3 151 B4R0.1 ClCC(Cl)Cl 520890 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.1 FC(F)CI 034707 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.1 NCC(F)F 010670 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.1 OCC(F)F 001565 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.2 BrCCCBr 003830 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.2 C#CCCBr 093952 [1,0,0,0,0,0|1,0,2]=4 157 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|0,0,2]=3 158 B4R0.2 C#CCCN 235851 [1,0,0,0,0,0|1,0,2]=4 159 B4R0.2 C#CCCO 009077 [1,0,0,0,0,0|0,1,2]=4 160 B4R0.2 C#CCOC 044755 [1,0,0,0,0,0|1,0,2]=4 161 B4R0.2 C#COCC 050428 [1,0,0,0,0,0|1,0,2]=4 162 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|1,0,2]=4 163 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|1,0,2]=4 164 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|0,1,2]=4 166 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|1,0,2]=4 167 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|1,0,2]=4 168 B4R0.2 CC#CCBr 009057 [1,0,0,0,0,0|1,0,2]=4 169 B4R0.2 CC#CCO 009076 [1,0,0,0,0,0|0,1,2]=4 170 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|1,0,1]=3 171 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|0,1,1]=3 172 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|1,0,0]=2 173 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|0,0,0]=1 174 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|1,0,0]=2 175 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|1,0,0]=2 176 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|0,1,0]=2 177 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|0,1,0]=2 178 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|0,1,0]=2 179 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|0,0,0]=1 180 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|1,0,0]=2 181 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|0,0,1]=2 182 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.2 CCN=C=S 053245 [1,0,0,0,0,0|1,0,2]=4 184 B4R0.2 CCNC=O 099258 [1,0,0,0,0,0|1,1,1]=4 185 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|1,0,0]=2 186 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|1,0,0]=2 187 B4R0.2 CCOC=N 099169 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 CCOC=O 044728 [1,0,0,0,0,0|1,1,1]=4 189 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|1,0,0]=2 190 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|1,0,0]=2 191 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|1,0,0]=2 192 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|1,0,0]=2 193 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|0,1,0]=2 195 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|1,0,0]=2 196 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|1,0,0]=2 197 B4R0.2 CNCC#N 078723 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 CNCC#N 238940 [1,0,0,0,0,0|2,0,1]=4 199 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|1,1,0]=3 201 B4R0.2 COCC#N 002451 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|2,0,0]=3 203 B4R0.2 COCCN 046846 [1,0,0,0,0,0|2,0,0]=3 204 B4R0.2 COCCO 043320 [1,0,0,0,0,0|1,1,0]=3 205 B4R0.2 COCCO 102150 [1,0,0,0,0,0|1,1,0]=3 206 B4R0.2 COCOC 094560 [1,0,0,0,0,0|2,0,0]=3 207 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|2,0,0]=3 208 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|1,1,0]=3 209 B4R0.2 C\C=C\CBr 103776 [1,0,0,0,0,0|1,0,2]=4 210 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|0,1,2]=4 211 B4R0.2 ClCCCBr 094507 [1,0,0,0,0,0|2,0,0]=3 212 B4R0.2 ClCCCCl 101461 [1,0,0,0,0,0|2,0,0]=3 213 B4R0.2 ClCCCI 001486 [1,0,0,0,0,0|2,0,0]=3 214 B4R0.2 ClCSCCl 108200 [1,0,0,0,0,0|3,0,0]=4 215 B4R0.2 FCCCI 095368 [1,0,0,0,0,0|2,0,0]=3 216 B4R0.2 ICCCI 003098 [1,0,0,0,0,0|2,0,0]=3 217 B4R0.2 N#CCCBr 227728 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.2 N#CCCCl 076020 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.2 N#CCCI 101901 [1,0,0,0,0,0|2,0,1]=4 220 B4R0.2 N#CCCN 105100 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 N#CCCO 005000 [1,0,0,0,0,0|1,1,1]=4 222 B4R0.2 NCCCBr 079493 [1,0,0,0,0,0|2,0,0]=3 223 B4R0.2 NCCCCl 095817 [1,0,0,0,0,0|2,0,0]=3 224 B4R0.2 NCCCN 094590 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.2 NCCCO 099680 [1,0,0,0,0,0|1,1,0]=3 226 B4R0.2 NNCCO 069293 [1,0,0,0,0,0|2,1,0]=4 227 B4R0.2 OCCCBr 047460 [1,0,0,0,0,0|1,1,0]=3 228 B4R0.2 OCCCCl 024840 [1,0,0,0,0,0|1,1,0]=3 229 B4R0.2 OCCCF 010306 [1,0,0,0,0,0|1,1,0]=3 230 B4R0.2 OCCCI 002583 [1,0,0,0,0,0|1,1,0]=3 231 B4R0.2 OCCCO 095066 [1,0,0,0,0,0|1,1,0]=3 232 B4R0.2 SCCCCl 099136 [1,0,0,0,0,0|1,0,0]=2 233 B4R0.2 SCCCS 101936 [1,0,0,0,0,0|1,0,0]=2 234 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|1,0,0]=2 235 B6R0.1 C(=O)CC(C)SC 002806 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.1 C=CC(O)CCC 241561 [0,1,0,0,0,0|0,1,1]=3 237 B6R0.1 CCC(N)CCN 479098 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.1 CCC(N)COC 046850 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.1 CCC(O)COC 375173 [0,1,0,0,0,0|1,1,0]=3 240 B6R0.1 CCCC(=O)NN 018345 [0,1,0,0,0,0|1,1,1]=4 241 B6R0.1 CCCC(=O)OC 358407 [0,1,0,0,0,0|0,1,1]=3 242 B6R0.1 CCCC(C)C=O 520881 [0,1,0,0,0,0|0,1,0]=2 243 B6R0.1 CCCC(O)CO 242929 [0,1,0,0,0,0|0,1,0]=2 244 B6R0.1 CCNC(=O)CCl 069838 [0,1,0,0,0,0|1,1,1]=4 245 B6R0.1 CCNC(=O)CN 075036 [0,1,0,0,0,0|1,1,1]=4 246 B6R0.1 CCNC(=O)OC 104168 [0,1,0,0,0,0|1,1,1]=4 247 B6R0.1 CCOC(=O)CBr 006091 [0,1,0,0,0,0|1,1,1]=4 248 B6R0.1 CCOC(=O)CC 094652 [0,1,0,0,0,0|1,1,1]=4 249 B6R0.1 CCOC(=O)CCl 097784 [0,1,0,0,0,0|1,1,1]=4 250 B6R0.1 CCOC(=O)CF 019465 [0,1,0,0,0,0|1,1,1]=4 251 B6R0.1 CCOC(=O)CI 324768 [0,1,0,0,0,0|1,1,1]=4 252 B6R0.1 CCOC(=O)CN 094472 [0,1,0,0,0,0|1,1,1]=4 253 B6R0.1 CCOC(=O)CO 227697 [0,1,0,0,0,0|1,1,1]=4 254 B6R0.1 CCOC(=O)CS 099611 [0,1,0,0,0,0|1,1,1]=4 255 B6R0.1 CCOC(=S)S[K] 033163 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.1 CCO\C(C)=N/O 036372 [0,1,0,0,0,0|1,1,1]=4 257 B6R0.1 CC[C@@H](N)CC#N 012701 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.1 CC[C@H](N)CC#N 012702 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.1 CC\C=C(/C)C=O 103302 [0,1,0,0,0,0|0,1,2]=4 260 B6R0.1 CNC(=O)CCBr 104783 [0,1,0,0,0,0|1,1,1]=4 261 B6R0.1 CNCC(=O)OC M03234 [0,1,0,0,0,0|1,1,1]=4 262 B6R0.1 CNCC(O)CO 208621 [0,1,0,0,0,0|1,1,0]=3 263 B6R0.1 COC(=O)CCBr 216315 [0,1,0,0,0,0|1,1,1]=4 264 B6R0.1 COC(=O)CCI 103108 [0,1,0,0,0,0|1,1,1]=4 265 B6R0.1 COC(=O)CCN 032703 [0,1,0,0,0,0|1,1,1]=4 266 B6R0.1 COC(=O)CCO 223297 [0,1,0,0,0,0|1,1,1]=4 267 B6R0.1 COC(=O)CCS 053164 [0,1,0,0,0,0|1,1,1]=4 268 B6R0.1 COC(=O)CSC 002978 [0,1,0,0,0,0|1,1,1]=4 269 B6R0.1 COCC(=O)OC 358440 [0,1,0,0,0,0|1,1,1]=4 270 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|1,1,0]=3 271 B6R0.1 N#CC[C@H](O)CCl 092339 [0,1,0,0,0,0|1,1,1]=4 272 B6R0.1 OC(CBr)CCBr BR1637 [0,1,0,0,0,0|1,1,0]=3 273 B6R0.2 CC(=O)CC(C)=O 100600 [0,1,0,0,0,0|0,1,2]=4 274 B6R0.2 CC(=O)CC(C)C 044985 [0,1,0,0,0,0|0,1,1]=3 275 B6R0.2 CC(=O)CC(C)C 102383 [0,1,0,0,0,0|0,1,1]=3 276 B6R0.2 CC(=O)NC(C)C 208609 [0,1,0,0,0,0|1,1,1]=4 277 B6R0.2 CC(=O)OC(C)C 099370 [0,1,0,0,0,0|1,1,1]=4 278 B6R0.2 CC(C)=NC(C)C 022053 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.2 CC(C)CB(O)O 045297 [0,1,0,0,0,0|2,1,0]=4 280 B6R0.2 CC(C)CC(=O)Cl 520885 [0,1,0,0,0,0|1,1,1]=4 281 B6R0.2 CC(C)CC(=O)O 242835 [0,1,0,0,0,0|1,1,1]=4 282 B6R0.2 CC(C)CC(C)N 214337 [0,1,0,0,0,0|1,0,0]=2 283 B6R0.2 CC(C)CC(C)O 242810 [0,1,0,0,0,0|0,1,0]=2 284 B6R0.2 CC(C)CC(N)=O 342138 [0,1,0,0,0,0|1,1,1]=4 285 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,1,0,0,0,0|2,1,0]=4 286 B6R0.2 CC(C)NC(C)C 005001 [0,1,0,0,0,0|2,0,0]=3 287 B6R0.2 CC(C)NC(C)C 995001 [0,1,0,0,0,0|2,0,0]=3 288 B6R0.2 CC(C)SC(C)C 105009 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.2 CC(Cl)CN(C)C 434039 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.2 CC(N)CC(=O)O 208617 [0,1,0,0,0,0|1,1,1]=4 291 B6R0.2 CC(O)CN(C)C 092070 [0,1,0,0,0,0|1,1,0]=3 292 B6R0.2 CN(C)CN(C)C 464556 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,1,0,0,0,0|1,1,1]=4 294 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,1,0,0,0,0|1,1,1]=4 295 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.3 CC(C)C(=O)CBr 079016 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|2,0,0]=3 298 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|2,0,0]=3 299 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|2,0,0]=3 300 B6R0.3 CCC(=O)C(C)=O 464570 [0,1,0,0,0,0|0,1,2]=4 301 B6R0.3 CCC(=O)C(C)C 386812 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.3 CCC(=O)N(C)C 235586 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.3 CCC(Br)C(=O)Br 241269 [0,1,0,0,0,0|1,1,1]=4 304 B6R0.3 CCC(Br)C(=O)O 242857 [0,1,0,0,0,0|1,1,1]=4 305 B6R0.3 CCC(C)B(O)O 208610 [0,1,0,0,0,0|2,1,0]=4 306 B6R0.3 CCC(C)C(=O)Cl 102938 [0,1,0,0,0,0|1,1,1]=4 307 B6R0.3 CCC(C)C(=O)O 155900 [0,1,0,0,0,0|1,1,1]=4 308 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|0,1,0]=2 309 B6R0.3 CCC(C)C(N)=O 102996 [0,1,0,0,0,0|1,1,1]=4 310 B6R0.3 CCC(N)C(=O)O M01290 [0,1,0,0,0,0|1,1,1]=4 311 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|1,0,0]=2 312 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,1,0,0,0,0|1,1,1]=4 313 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,1,0,0,0,0|1,1,1]=4 314 B6R0.3 CNC(=O)C(C)Br 369255 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.3 CNC(=O)C(C)C 541993 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.3 CNC(=O)C(C)Cl 310451 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.3 COC(=O)C(C)Br 006778 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.3 COC(=O)C(C)C 097703 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.3 COC(=O)C(C)Cl 239017 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.3 COC(=O)C(C)N 003683 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.3 COC(=O)C(C)N 003684 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.3 COC(=O)C(C)O 103470 [0,1,0,0,0,0|1,1,1]=4 323 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.3 COC(=O)[C@@H](C)N 005452 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.3 COC(=O)[C@@H](C)O 219745 [0,1,0,0,0,0|1,1,1]=4 326 B6R0.3 COC(=O)[C@H](C)Cl 328935 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.3 COC(=O)[C@H](C)O 099823 [0,1,0,0,0,0|1,1,1]=4 328 B6R0.4 C=C(C)CNCC 098963 [0,1,0,0,0,0|1,0,1]=3 329 B6R0.4 C=CCCC(C)=O 358446 [0,1,0,0,0,0|0,1,2]=4 330 B6R0.4 C=COCC(C)C 103137 [0,1,0,0,0,0|1,0,2]=4 331 B6R0.4 CC(=O)CCCCl 326218 [0,1,0,0,0,0|0,1,1]=3 332 B6R0.4 CC(=O)CCCO 093373 [0,1,0,0,0,0|0,1,1]=3 333 B6R0.4 CC(=O)NCCN 226270 [0,1,0,0,0,0|1,1,1]=4 334 B6R0.4 CC(=O)NCCO 094790 [0,1,0,0,0,0|1,1,1]=4 335 B6R0.4 CC(=O)NCCS 106473 [0,1,0,0,0,0|1,1,1]=4 336 B6R0.4 CC(=O)OCCBr 024963 [0,1,0,0,0,0|1,1,1]=4 337 B6R0.4 CC(=O)OCCO 046708 [0,1,0,0,0,0|1,1,1]=4 338 B6R0.4 CC(Br)CCCBr 001096 [0,1,0,0,0,0|1,0,0]=2 339 B6R0.4 CC(C)CN=C=O 044447 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.4 CC(C)CN=C=S 008985 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.4 CC(C)CON=O 099090 [0,1,0,0,0,0|3,0,0]=4 342 B6R0.4 CC(C)NCCO 069257 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.4 CC(C)OCCO 150900 [0,1,0,0,0,0|2,0,0]=3 344 B6R0.4 CC(O)CCCO 386330 [0,1,0,0,0,0|0,1,0]=2 345 B6R0.4 CCC#CC(C)O 105445 [0,1,0,0,0,0|0,1,1]=3 346 B6R0.4 CCCCB(O)O 010773 [0,1,0,0,0,0|2,1,0]=4 347 B6R0.4 CCCCC(=O)Cl 099590 [0,1,0,0,0,0|1,1,1]=4 348 B6R0.4 CCCCC(=O)O 066625 [0,1,0,0,0,0|1,1,1]=4 349 B6R0.4 CCCCC(C)=O 098350 [0,1,0,0,0,0|0,1,1]=3 350 B6R0.4 CCCCC(C)N 214315 [0,1,0,0,0,0|1,0,0]=2 351 B6R0.4 CCCCC(N)=O 176500 [0,1,0,0,0,0|1,1,1]=4 352 B6R0.4 CCCCN(C)C 115800 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.4 CCCC[C@@H](C)O 036116 [0,1,0,0,0,0|0,1,0]=2 354 B6R0.4 CCCNC(C)=O 099232 [0,1,0,0,0,0|0,1,1]=3 355 B6R0.4 CCCNC(N)=S 018984 [0,1,0,0,0,0|1,0,2]=4 356 B6R0.4 CCCOC(C)=O 104128 [0,1,0,0,0,0|0,1,1]=3 357 B6R0.4 CCOCC(=O)O 461062 [0,1,0,0,0,0|1,1,1]=4 358 B6R0.4 CCSCC(=O)O 001760 [0,1,0,0,0,0|1,1,1]=4 359 B6R0.4 CN(C)CCC#N 044322 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.4 CN(C)CCCBr 079586 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.4 CN(C)CCCCl 240358 [0,1,0,0,0,0|2,0,0]=3 362 B6R0.4 CN(C)CCCN 094726 [0,1,0,0,0,0|2,0,0]=3 363 B6R0.4 CN(C)CCCO 242665 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.4 CNCCC(C)C 321590 [0,1,0,0,0,0|1,0,0]=2 365 B6R0.4 CNCCN(C)C 236768 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.4 COCCC(=O)Cl 014676 [0,1,0,0,0,0|1,1,1]=4 367 B6R0.4 COCCC(=O)O 091199 [0,1,0,0,0,0|1,1,1]=4 368 B6R0.4 COCCC(N)=O 091205 [0,1,0,0,0,0|1,1,1]=4 369 B6R0.4 CSCCC(=O)O 013666 [0,1,0,0,0,0|1,1,1]=4 370 B6R0.4 NCCCC(=O)O 005047 [0,1,0,0,0,0|1,1,1]=4 371 B6R0.4 O=C(Cl)CCCBr 001349 [0,1,0,0,0,0|1,1,1]=4 372 B6R0.4 O=C(Cl)CCCCl 099540 [0,1,0,0,0,0|1,1,1]=4 373 B6R0.4 O=C(O)CCCBr 043390 [0,1,0,0,0,0|1,1,1]=4 374 B6R0.5 CC#CC(C)(C)O 103636 [0,1,0,0,0,0|0,1,2]=4 375 B6R0.5 CC(C)(Br)CCBr 105278 [0,1,0,0,0,0|2,0,0]=3 376 B6R0.5 CC(C)(C)CC=O 049850 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.5 CC(C)(C)CCBr 240396 [0,1,0,0,0,0|2,0,0]=3 378 B6R0.5 CC(C)(C)CCI 104243 [0,1,0,0,0,0|2,0,0]=3 379 B6R0.5 CC(C)(C)CCO 092664 [0,1,0,0,0,0|2,0,0]=3 380 B6R0.5 CC(C)(Cl)CCCl 106056 [0,1,0,0,0,0|2,0,0]=3 381 B6R0.5 CC(C)(O)CC#N 372096 [0,1,0,0,0,0|1,1,1]=4 382 B6R0.5 CC(C)(O)CCO 099109 [0,1,0,0,0,0|1,1,0]=3 383 B6R0.5 CCCC(C)(C)O 356177 [0,1,0,0,0,0|0,1,0]=2 384 B6R0.5 CCCP(=O)(O)O 102644 [0,1,0,0,0,0|2,1,0]=4 385 B6R0.5 CCCS(=O)(=O)Cl 094413 [0,1,0,0,0,0|2,1,0]=4 386 B6R0.5 CCOS(C)(=O)=O 001758 [0,1,0,0,0,0|2,1,0]=4 387 B6R0.5 CCO[Si](C)(C)C S08635 [0,1,0,0,0,0|2,1,0]=4 388 B6R0.5 CCS[Si](C)(C)C 103431 [0,1,0,0,0,0|2,1,0]=4 389 B6R0.5 CNCC(C)(C)O 323417 [0,1,0,0,0,0|1,1,0]=3 390 B6R0.5 CNCC(F)(F)F 041890 [0,1,0,0,0,0|3,0,0]=4 391 B6R0.5 CNCC(F)(F)F 044280 [0,1,0,0,0,0|3,0,0]=4 392 B6R0.5 COCC(C)(C)N 044656 [0,1,0,0,0,0|2,0,0]=3 393 B6R0.5 COCC(C)(C)O 304271 [0,1,0,0,0,0|1,1,0]=3 394 B6R0.5 CS(=O)(=O)CCN 035902 [0,1,0,0,0,0|2,1,0]=4 395 B6R0.5 CS(=O)(=O)CCO 002961 [0,1,0,0,0,0|2,1,0]=4 396 B6R0.5 C[N+](C)(C)CCO 358031 [0,1,0,0,0,0|3,0,0]=4 397 B6R0.5 C[Si](C)(C)CCO S19375 [0,1,0,0,0,0|2,1,0]=4 398 B6R0.5 C[Si](C)(C)CCS S10370 [0,1,0,0,0,0|2,1,0]=4 399 B6R0.5 C\C=N\C(C)(C)C 241850 [0,1,0,0,0,0|2,0,1]=4 400 B6R0.5 FC(F)(F)CCI 001547 [0,1,0,0,0,0|3,0,0]=4 401 B6R0.5 FC(F)(F)CCS 038350 [0,1,0,0,0,0|3,0,0]=4 402 B6R0.5 NCCC(F)(F)F 007712 [0,1,0,0,0,0|3,0,0]=4 403 B6R0.5 NCCC(F)(F)F 038244 [0,1,0,0,0,0|3,0,0]=4 404 B6R0.5 OCCC(F)(F)F 001557 [0,1,0,0,0,0|3,0,0]=4 405 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|1,0,0]=2 406 B6R1.2 BrC1CCNC1 211447 [0,0,0,1,0,0|2,0,0]=3 407 B6R1.2 CC1=CCCC1 103763 [0,0,0,1,0,0|1,0,1]=3 408 B6R1.2 CC1=NCCN1 103446 [0,0,0,1,0,0|2,0,1]=4 409 B6R1.2 CC1=NCCO1 099141 [0,0,0,1,0,0|1,1,1]=4 410 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|1,0,0]=2 411 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|0,1,0]=2 412 B6R1.2 CN1CCCC1 046845 [0,0,0,1,0,0|2,0,0]=3 413 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|1,0,0]=2 414 B6R1.2 F[C@@H]1CCNC1 013156 [0,0,0,1,0,0|2,0,0]=3 415 B6R1.2 F[C@H]1CCNC1 013157 [0,0,0,1,0,0|2,0,0]=3 416 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|1,0,0]=2 417 B6R1.2 NC1=NCCS1 018191 [0,0,0,1,0,0|2,0,1]=4 418 B6R1.2 NC1=NCCS1 995255 [0,0,0,1,0,0|2,0,1]=4 419 B6R1.2 NC1CC=CC1 011352 [0,0,0,1,0,0|1,0,2]=4 420 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|1,0,0]=2 421 B6R1.2 NC1CCNC1 024526 [0,0,0,1,0,0|2,0,0]=3 422 B6R1.2 NC1CCOC1 208592 [0,0,0,1,0,0|2,0,0]=3 423 B6R1.2 O=C1CCCC1 044205 [0,0,0,1,0,0|0,1,1]=3 424 B6R1.2 O=C1CCCN1 095374 [0,0,0,1,0,0|1,1,1]=4 425 B6R1.2 O=C1CCCN1 098215 [0,0,0,1,0,0|1,1,1]=4 426 B6R1.2 O=C1CCNC1 078709 [0,0,0,1,0,0|1,1,1]=4 427 B6R1.2 O=C1CCOC1 076836 [0,0,0,1,0,0|1,1,1]=4 428 B6R1.2 O=C1CCSC1 214765 [0,0,0,1,0,0|1,1,1]=4 429 B6R1.2 O=C1NCCS1 215692 [0,0,0,1,0,0|2,0,1]=4 430 B6R1.2 O=S1CCCC1 001093 [0,0,0,1,0,0|1,1,0]=3 431 B6R1.2 OC1CC=CC1 011661 [0,0,0,1,0,0|0,1,2]=4 432 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|0,1,0]=2 433 B6R1.2 OC1CCNC1 011341 [0,0,0,1,0,0|1,1,0]=3 434 B6R1.2 OC1CCOC1 005327 [0,0,0,1,0,0|1,1,0]=3 435 B6R1.2 O[C@@H]1CCNC1 076549 [0,0,0,1,0,0|1,1,0]=3 436 B6R1.2 O[C@@H]1CCOC1 093765 [0,0,0,1,0,0|1,1,0]=3 437 B6R1.2 O[C@H]1CCNC1 011760 [0,0,0,1,0,0|1,1,0]=3 438 B6R1.2 O[C@H]1CCNC1 093058 [0,0,0,1,0,0|1,1,0]=3 439 B6R1.2 O[C@H]1CCOC1 078070 [0,0,0,1,0,0|1,1,0]=3 440 B6R1.2 S=C1NCCS1 038194 [0,0,0,1,0,0|2,0,1]=4 441 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|0,0,0]=1 442 B6R1.3 CNCC1CC1 065548 [0,0,0,1,0,0|2,0,0]=3 443 B6R1.3 N#CCC1CC1 003711 [0,0,0,1,0,0|2,0,1]=4 444 B6R1.3 OCCN1CC1 216355 [0,0,0,1,0,0|3,0,0]=4 445 B6R1.10 CC1(N)CCC1 041889 [0,0,0,1,0,0|1,0,0]=2 446 B6R1.10 FC1(F)CNC1 013896 [0,0,0,1,0,0|3,0,0]=4 447 B6R1.11 CC(=O)C1CC1 005112 [0,0,0,1,0,0|0,1,1]=3 448 B6R1.11 CC(N)C1CC1 095360 [0,0,0,1,0,0|1,0,0]=2 449 B6R1.11 CC(O)C1CC1 354573 [0,0,0,1,0,0|0,1,0]=2 450 B6R1.11 N=C(N)C1CC1 017190 [0,0,0,1,0,0|2,0,1]=4 451 B6R1.11 NC(=O)C1CC1 079247 [0,0,0,1,0,0|1,1,1]=4 452 B6R1.11 O=C(Cl)C1CC1 066721 [0,0,0,1,0,0|1,1,1]=4 453 B6R1.11 O=C(O)C1CC1 009113 [0,0,0,1,0,0|1,1,1]=4 454 B6R1.11 O=S([O-])C1CC1 024941 [0,0,0,1,0,0|2,1,0]=4 455 B6R1.11 OB(O)C1CC1 023296 [0,0,0,1,0,0|2,1,0]=4 456 B3R0.1 BrCCBr 050675 [2,0,0,0,0,0|2,0,0]=4 457 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|0,0,2]=4 458 B3R0.1 C=CCS 099583 [2,0,0,0,0,0|0,0,2]=4 459 B3R0.1 CC#CC 117205 [2,0,0,0,0,0|0,0,2]=4 460 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 461 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,1,1]=4 462 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,0]=3 463 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,0]=3 464 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,0]=3 465 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,1,0]=3 466 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,1,0]=3 467 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,0,0]=2 468 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,0,1]=3 469 B3R0.1 CCNC 044624 [2,0,0,0,0,0|1,0,0]=3 470 B3R0.1 CCON 092211 [2,0,0,0,0,0|2,0,0]=4 471 B3R0.1 CNNC 446438 [2,0,0,0,0,0|2,0,0]=4 472 B3R0.1 CNOC 023913 [2,0,0,0,0,0|2,0,0]=4 473 B3R0.1 COCBr 005432 [2,0,0,0,0,0|2,0,0]=4 474 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|2,0,0]=4 475 B3R0.1 CSSC 094878 [2,0,0,0,0,0|2,0,0]=4 476 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|0,0,2]=4 477 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|0,0,2]=4 478 B3R0.1 ClCCBr BR1051 [2,0,0,0,0,0|2,0,0]=4 479 B3R0.1 ClCCCl 043318 [2,0,0,0,0,0|2,0,0]=4 480 B3R0.1 ClCCCl 102594 [2,0,0,0,0,0|2,0,0]=4 481 B3R0.1 ClCCI 001485 [2,0,0,0,0,0|2,0,0]=4 482 B3R0.1 FCCI 095367 [2,0,0,0,0,0|2,0,0]=4 483 B3R0.1 ICCI 103493 [2,0,0,0,0,0|2,0,0]=4 484 B3R0.1 NCCBr 078524 [2,0,0,0,0,0|2,0,0]=4 485 B3R0.1 NCCCl 119280 [2,0,0,0,0,0|2,0,0]=4 486 B3R0.1 NCCCl 362131 [2,0,0,0,0,0|2,0,0]=4 487 B3R0.1 NCCF 078652 [2,0,0,0,0,0|2,0,0]=4 488 B3R0.1 NCCF 364319 [2,0,0,0,0,0|2,0,0]=4 489 B3R0.1 NCCN 043401 [2,0,0,0,0,0|2,0,0]=4 490 B3R0.1 NCCN 105894 [2,0,0,0,0,0|2,0,0]=4 491 B3R0.1 NCCN 139700 [2,0,0,0,0,0|2,0,0]=4 492 B3R0.1 NCCO 043400 [2,0,0,0,0,0|1,1,0]=4 493 B3R0.1 NCCO 103645 [2,0,0,0,0,0|1,1,0]=4 494 B3R0.1 NCCO 492434 [2,0,0,0,0,0|1,1,0]=4 495 B3R0.1 NCCS 003420 [2,0,0,0,0,0|1,0,0]=3 496 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|1,1,0]=4 497 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|1,1,0]=4 498 B3R0.1 OCCI 001387 [2,0,0,0,0,0|1,1,0]=4 499 B3R0.1 OCCI 102984 [2,0,0,0,0,0|1,1,0]=4 500 B3R0.1 OCCO 044710 [2,0,0,0,0,0|1,1,0]=4 501 B3R0.1 OCCS 003836 [2,0,0,0,0,0|1,0,0]=3 502 B3R0.1 SCCS M03555 [2,0,0,0,0,0|1,0,0]=3 503 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|2,0,0]=4 504 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 505 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|1,0,1]=4 506 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|2,0,0]=4 507 B3R0.2 CC(=O)S 094692 [2,0,0,0,0,0|1,0,1]=4 508 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|0,1,1]=4 509 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,1,1]=4 510 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|0,1,1]=4 511 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|0,1,1]=4 512 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|0,1,1]=4 513 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|0,1,1]=4 514 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,0]=3 515 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,0]=3 516 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,0]=3 517 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,0]=3 518 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,0]=3 519 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,0]=3 520 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,1,0]=3 521 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,1,0]=3 522 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,1,0]=3 523 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,1,0]=3 524 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,1,0]=3 525 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,0,0]=2 526 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,1,0]=3 527 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,1,0]=3 528 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,0,1]=3 529 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 530 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|2,0,0]=4 531 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|2,0,0]=4 532 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|2,0,0]=4 533 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|2,0,0]=4 534 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|2,0,0]=4 535 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|2,0,0]=4 536 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|2,0,0]=4 537 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|2,0,0]=4 538 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,1,0]=4 539 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|2,0,0]=4 540 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,1,0]=4 541 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,1,0]=4 542 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,1,0]=4 543 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|2,0,0]=4 544 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|1,1,0]=4 545 B5R0.3 BrCC(Br)CBr 001242 [1,1,0,0,0,0|2,0,0]=4 546 B5R0.3 C#CC(O)CC 164300 [1,1,0,0,0,0|0,1,1]=4 547 B5R0.3 C=CC(O)CC 464567 [1,1,0,0,0,0|0,1,1]=4 548 B5R0.3 CC(CBr)CBr 229847 [1,1,0,0,0,0|2,0,0]=4 549 B5R0.3 CC(CCl)CBr 239837 [1,1,0,0,0,0|2,0,0]=4 550 B5R0.3 CC(CO)CO 242900 [1,1,0,0,0,0|1,1,0]=4 551 B5R0.3 CCC(=O)CBr 002514 [1,1,0,0,0,0|0,1,1]=4 552 B5R0.3 CCC(=O)CC 094591 [1,1,0,0,0,0|0,1,1]=4 553 B5R0.3 CCC(=O)NC 103047 [1,1,0,0,0,0|0,1,1]=4 554 B5R0.3 CCC(Br)CC 358240 [1,1,0,0,0,0|1,0,0]=3 555 B5R0.3 CCC(C)C=O 103622 [1,1,0,0,0,0|0,1,0]=3 556 B5R0.3 CCC(C)CC 098988 [1,1,0,0,0,0|1,0,0]=3 557 B5R0.3 CCC(C)CN 013636 [1,1,0,0,0,0|1,0,0]=3 558 B5R0.3 CCC(C)CO 358145 [1,1,0,0,0,0|0,1,0]=3 559 B5R0.3 CCC(C)NN 046283 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.3 CCC(N)CC 094499 [1,1,0,0,0,0|1,0,0]=3 561 B5R0.3 CCC(N)CO 091481 [1,1,0,0,0,0|1,0,0]=3 562 B5R0.3 CCC(O)C#N 103338 [1,1,0,0,0,0|0,1,1]=4 563 B5R0.3 CCC(O)CC 358049 [1,1,0,0,0,0|0,1,0]=3 564 B5R0.3 CCC(O)CN 002496 [1,1,0,0,0,0|0,1,0]=3 565 B5R0.3 CCN(C)CC 493739 [1,1,0,0,0,0|2,0,0]=4 566 B5R0.3 CCN(O)CC 105777 [1,1,0,0,0,0|1,1,0]=4 567 B5R0.3 CCN(O)CC 129600 [1,1,0,0,0,0|1,1,0]=4 568 B5R0.3 CCS(=O)CC 094782 [1,1,0,0,0,0|1,1,0]=4 569 B5R0.3 CC[C@@H](N)CO 012703 [1,1,0,0,0,0|1,0,0]=3 570 B5R0.3 CC[C@H](C)CO 473128 [1,1,0,0,0,0|0,1,0]=3 571 B5R0.3 CC[C@H](N)CO 012704 [1,1,0,0,0,0|1,0,0]=3 572 B5R0.3 CC\C(C)=N\O 099127 [1,1,0,0,0,0|0,1,1]=4 573 B5R0.3 COC(C)OC 104486 [1,1,0,0,0,0|1,1,0]=4 574 B5R0.3 ClCC(Cl)CCl 099132 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.3 NC(CO)CO 043594 [1,1,0,0,0,0|2,0,0]=4 576 B5R0.3 NCC(O)CN 013503 [1,1,0,0,0,0|1,1,0]=4 577 B5R0.3 NCC(O)CO 093744 [1,1,0,0,0,0|1,1,0]=4 578 B5R0.3 NC[C@@H](O)CO 036807 [1,1,0,0,0,0|1,1,0]=4 579 B5R0.3 NC[C@H](O)CCl 320853 [1,1,0,0,0,0|1,1,0]=4 580 B5R0.3 OC(CBr)CBr 242654 [1,1,0,0,0,0|1,1,0]=4 581 B5R0.3 OC(CCl)CCl 214775 [1,1,0,0,0,0|1,1,0]=4 582 B5R0.3 OCC(O)CCl 242924 [1,1,0,0,0,0|1,1,0]=4 583 B5R0.3 OCC(O)CO 094580 [1,1,0,0,0,0|1,1,0]=4 584 B5R0.3 OCC(O)CO 102072 [1,1,0,0,0,0|1,1,0]=4 585 B5R0.3 OCC(O)CO 104202 [1,1,0,0,0,0|1,1,0]=4 586 B5R0.3 OCC(O)CS 104512 [1,1,0,0,0,0|1,1,0]=4 587 B5R0.3 OC[C@@H](O)CCl 079187 [1,1,0,0,0,0|1,1,0]=4 588 B5R0.4 CC(C)(Br)CBr 003878 [1,1,0,0,0,0|2,0,0]=4 589 B5R0.4 CC(C)(C)CI 099189 [1,1,0,0,0,0|2,0,0]=4 590 B5R0.4 CC(C)(C)CN 160000 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|2,0,0]=4 592 B5R0.4 CC(C)(N)CN 051242 [1,1,0,0,0,0|2,0,0]=4 593 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|2,0,0]=4 594 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|1,1,0]=4 595 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|1,1,0]=4 596 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|1,1,0]=4 597 B5R0.4 CC(F)(F)CO 034700 [1,1,0,0,0,0|2,0,0]=4 598 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|1,0,0]=3 599 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|1,0,0]=3 600 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|0,1,0]=3 601 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|0,1,0]=3 602 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|0,1,0]=3 603 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|0,1,0]=3 604 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|0,1,0]=3 605 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|0,1,0]=3 606 B5R0.4 CC[Si](C)(C)Cl 005276 [1,1,0,0,0,0|1,1,0]=4 607 B5R0.4 CNC(C)(C)C 024302 [1,1,0,0,0,0|2,0,0]=4 608 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|2,0,0]=4 609 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|2,0,0]=4 610 B5R0.4 COC(C)(C)C 099538 [1,1,0,0,0,0|2,0,0]=4 611 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|0,1,1]=4 612 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|0,1,1]=4 613 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|0,1,1]=4 614 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|1,0,0]=3 615 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|1,0,0]=3 616 B5R0.5 CC(C)N(C)C 103843 [1,1,0,0,0,0|2,0,0]=4 617 B5R0.5 CC(S)C(=O)O 520330 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|0,1,0]=3 619 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|1,0,0]=3 620 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|0,1,0]=3 621 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|0,1,0]=3 622 B5R0.2 BrCCCCBr 004638 [1,1,0,0,0,0|1,0,0]=3 623 B5R0.2 C#CCCCC 098932 [1,1,0,0,0,0|0,0,1]=3 624 B5R0.2 C#CCCCCl 120900 [1,1,0,0,0,0|0,0,2]=4 625 B5R0.2 C#CCCCO 164406 [1,1,0,0,0,0|0,0,2]=4 626 B5R0.2 C=CCCCBr 013455 [1,1,0,0,0,0|0,0,2]=4 627 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|0,0,1]=3 628 B5R0.2 C=CCCCI 103315 [1,1,0,0,0,0|0,0,2]=4 629 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|0,0,2]=4 630 B5R0.2 C=CCCNC 104185 [1,1,0,0,0,0|0,0,2]=4 631 B5R0.2 CC#CCCC 145600 [1,1,0,0,0,0|0,0,1]=3 632 B5R0.2 CC#CCCO 010354 [1,1,0,0,0,0|0,0,2]=4 633 B5R0.2 CCC#CCBr 009064 [1,1,0,0,0,0|0,0,2]=4 634 B5R0.2 CCC#CCO 164400 [1,1,0,0,0,0|0,0,2]=4 635 B5R0.2 CCCCC#N 386692 [1,1,0,0,0,0|0,0,1]=3 636 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|0,0,1]=3 637 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|0,0,1]=3 638 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|0,0,0]=2 639 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|0,0,0]=2 640 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|0,0,0]=2 641 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|0,0,0]=2 642 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|0,0,0]=2 643 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|0,0,0]=2 644 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|0,0,0]=2 645 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|0,0,0]=2 646 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|0,0,0]=2 647 B5R0.2 CCCCNN 324841 [1,1,0,0,0,0|1,0,0]=3 648 B5R0.2 CCCC[Zn]Br 213843 [1,1,0,0,0,0|1,0,0]=3 649 B5R0.2 CCCN=C=S 009571 [1,1,0,0,0,0|0,0,2]=4 650 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|0,0,0]=2 651 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|0,1,1]=4 652 B5R0.2 CCNCCO 094818 [1,1,0,0,0,0|0,1,0]=3 653 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|1,0,0]=3 654 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|1,0,0]=3 655 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|0,1,0]=3 656 B5R0.2 CCSCCCl 001741 [1,1,0,0,0,0|1,0,0]=3 657 B5R0.2 CCSCCN 390974 [1,1,0,0,0,0|1,0,0]=3 658 B5R0.2 CCSCCO 002951 [1,1,0,0,0,0|0,1,0]=3 659 B5R0.2 CCSSCC 103992 [1,1,0,0,0,0|1,0,0]=3 660 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|0,0,2]=4 661 B5R0.2 CC\C=C\CBr 106316 [1,1,0,0,0,0|0,0,2]=4 662 B5R0.2 CNCCC#N 242856 [1,1,0,0,0,0|1,0,1]=4 663 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|1,0,0]=3 664 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|0,1,0]=3 665 B5R0.2 CNCCNC 043850 [1,1,0,0,0,0|1,0,0]=3 666 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|1,0,0]=3 667 B5R0.2 COCCC#N 154600 [1,1,0,0,0,0|1,0,1]=4 668 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|1,0,0]=3 669 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|1,0,0]=3 670 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|0,1,0]=3 671 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|1,0,0]=3 672 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|1,0,0]=3 673 B5R0.2 CSCCC=O 103329 [1,1,0,0,0,0|0,1,1]=4 674 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|1,0,0]=3 675 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|0,1,0]=3 676 B5R0.2 C\C=C\OCC 103024 [1,1,0,0,0,0|0,0,2]=4 677 B5R0.2 ClCCCCBr 235481 [1,1,0,0,0,0|1,0,0]=3 678 B5R0.2 ClCCCCCl 099062 [1,1,0,0,0,0|1,0,0]=3 679 B5R0.2 ClCCCCI 242676 [1,1,0,0,0,0|1,0,0]=3 680 B5R0.2 FCCCCBr 001725 [1,1,0,0,0,0|1,0,0]=3 681 B5R0.2 ICCCCI 239851 [1,1,0,0,0,0|1,0,0]=3 682 B5R0.2 N#CCCCBr 001102 [1,1,0,0,0,0|1,0,1]=4 683 B5R0.2 N#CCCCCl 097788 [1,1,0,0,0,0|1,0,1]=4 684 B5R0.2 N#CCCCI 101902 [1,1,0,0,0,0|1,0,1]=4 685 B5R0.2 NCCCCBr 227649 [1,1,0,0,0,0|1,0,0]=3 686 B5R0.2 NCCCCN 098368 [1,1,0,0,0,0|1,0,0]=3 687 B5R0.2 NCCCCO 036678 [1,1,0,0,0,0|0,1,0]=3 688 B5R0.2 OCCCCBr 036997 [1,1,0,0,0,0|0,1,0]=3 689 B5R0.2 OCCCCCl 097634 [1,1,0,0,0,0|0,1,0]=3 690 B5R0.2 SCCCCS 102622 [1,1,0,0,0,0|0,0,0]=2 691 B5R0.2 [C-]#[N+]CCCC 021027 [1,1,0,0,0,0|0,0,1]=3 692 B7R0.2 CC(C)C[C@H](N)CO M03441 [0,2,0,0,0,0|1,0,0]=3 693 B7R0.2 CCC(C)NC(C)=O 103813 [0,2,0,0,0,0|0,1,1]=4 694 B7R0.2 CN(C)CC(O)CO 077998 [0,2,0,0,0,0|1,1,0]=4 695 B7R0.2 COC(=O)CC(C)C 046834 [0,2,0,0,0,0|0,1,1]=4 696 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,2,0,0,0,0|0,1,1]=4 697 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,2,0,0,0,0|0,1,1]=4 698 B7R0.3 CC(CN)CCCN 098814 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.3 CCCCC(=O)OC 103432 [0,2,0,0,0,0|0,1,1]=4 700 B7R0.3 CCCC\C(C)=N\O 104327 [0,2,0,0,0,0|0,1,1]=4 701 B7R0.3 CCSCC(=O)OC 094646 [0,2,0,0,0,0|0,1,1]=4 702 B7R0.3 COC(=O)CCCBr 214657 [0,2,0,0,0,0|0,1,1]=4 703 B7R0.3 COC(=O)CCCCl 386752 [0,2,0,0,0,0|0,1,1]=4 704 B7R0.3 COC(=O)CCCI 336691 [0,2,0,0,0,0|0,1,1]=4 705 B7R0.3 COC(=O)CCCN 009954 [0,2,0,0,0,0|0,1,1]=4 706 B7R0.3 COCCC(=O)OC 349308 [0,2,0,0,0,0|0,1,1]=4 707 B7R0.5 CCCC(=O)C(C)=O 099591 [0,2,0,0,0,0|0,1,1]=4 708 B7R0.5 CCCC(Br)C(=O)O 114500 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.5 CCCC(C)C(=O)Cl 014675 [0,2,0,0,0,0|0,1,0]=3 710 B7R0.5 CCCC(C)C(=O)O 239960 [0,2,0,0,0,0|0,1,0]=3 711 B7R0.5 CCCC(C)C(N)=O 103248 [0,2,0,0,0,0|0,1,0]=3 712 B7R0.5 CCCC(N)C(=O)O 044733 [0,2,0,0,0,0|1,0,1]=4 713 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [0,2,0,0,0,0|1,0,1]=4 714 B7R0.5 CCC[C@H](N)C(=O)O 036432 [0,2,0,0,0,0|1,0,1]=4 715 B7R0.5 CCOC(=O)C(C)Br 006095 [0,2,0,0,0,0|1,0,1]=4 716 B7R0.5 CCOC(=O)C(C)C 094936 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.5 CCOC(=O)C(C)Cl 098895 [0,2,0,0,0,0|1,0,1]=4 718 B7R0.5 CCOC(=O)C(C)F 038173 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.5 CCOC(=O)C(C)N 003681 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.5 CCOC(=O)C(C)S 101529 [0,2,0,0,0,0|0,0,1]=3 721 B7R0.5 CCOC(=O)[C@H](C)N 003682 [0,2,0,0,0,0|1,0,1]=4 722 B7R0.5 CCOC(=O)[C@H](C)O 095008 [0,2,0,0,0,0|0,1,1]=4 723 B7R0.7 CCCC(C)N=C=S 009558 [0,2,0,0,0,0|0,0,1]=3 724 B7R0.7 CCCC(C)SC#N 024162 [0,2,0,0,0,0|0,0,0]=2 725 B7R0.7 CCCC(N)CCC 144200 [0,2,0,0,0,0|1,0,0]=3 726 B7R0.7 CCOC(C)OCC 358253 [0,2,0,0,0,0|1,1,0]=4 727 B7R0.7 COCC(N)COC 091645 [0,2,0,0,0,0|2,0,0]=4 728 B7R0.10 CCC(Br)C(=O)OC 006777 [0,2,0,0,0,0|0,1,1]=4 729 B7R0.10 CCC(C)C(=O)NC 102997 [0,2,0,0,0,0|0,1,1]=4 730 B7R0.10 CCC(C)C(=O)OC 035885 [0,2,0,0,0,0|0,1,1]=4 731 B7R0.10 CCC(N)C(=O)OC 241817 [0,2,0,0,0,0|0,1,1]=4 732 B7R0.10 OC[C@H](O)[C@H](O)CO 003436 [0,2,0,0,0,0|1,1,0]=4 733 B7R0.10 O[C@H](CS)[C@H](O)CS M02712 [0,2,0,0,0,0|1,1,0]=4 734 B7R0.10 O[C@H](CS)[C@H](O)CS M02716 [0,2,0,0,0,0|1,1,0]=4 735 B7R0.11 COC(C)(C)CCO 242746 [0,2,0,0,0,0|1,1,0]=4 736 B7R0.12 CNCC(OC)OC 240321 [0,2,0,0,0,0|1,1,0]=4 737 B7R0.12 COC(CCBr)OC 046744 [0,2,0,0,0,0|1,1,0]=4 738 B7R0.12 COCC(OC)OC 152900 [0,2,0,0,0,0|1,1,0]=4 739 B7R0.9 C=C(C)CC(C)(C)C 099019 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.9 CC(C)(C)CC(Cl)Cl 103313 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.9 CC(C)CC(C)(C)C 005420 [0,2,0,0,0,0|1,0,0]=3 742 B7R0.9 CC(C)CC(C)(C)C 101606 [0,2,0,0,0,0|1,0,0]=3 743 B7R0.16 CC(C)C(=O)C(C)C 094125 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.16 CC(C)C(N)C(C)C 214339 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.16 CC(C)C(O)C(C)C 342202 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.16 CC(C)P(Cl)C(C)C 013476 [0,2,0,0,0,0|2,0,0]=4 747 B7R0.16 CC(C)[SiH](Cl)C(C)C S06775 [0,2,0,0,0,0|1,1,0]=4 748 B7R0.13 CCC(C)(C)C(C)=O 005871 [0,2,0,0,0,0|0,1,1]=4 749 B7R0.14 CC(C)(C)C(O)CO 105040 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.14 CC(C)(C)[C@H](N)CO 208674 [0,2,0,0,0,0|2,0,0]=4 751 B7R0.14 CC(CO)C(C)(C)C 102491 [0,2,0,0,0,0|2,0,0]=4 752 B7R0.14 CCC(N)C(F)(F)F 044268 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.14 CCC(N)C(F)(F)F 093844 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.14 CCC(O)C(C)(C)C 106616 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.14 CC[C@@H](N)C(F)(F)F 044267 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.14 CC[C@@H](N)C(F)(F)F 093846 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.14 CC[C@H](N)C(F)(F)F 044198 [0,2,0,0,0,0|2,0,0]=4 758 B7R0.14 CC[C@H](N)C(F)(F)F 093845 [0,2,0,0,0,0|2,0,0]=4 759 B7R0.15 CCC(CC)C(C)=O 046100 [0,2,0,0,0,0|0,1,1]=4 760 B7R0.4 CC(=O)CCCC#N 095045 [0,2,0,0,0,0|0,1,1]=4 761 B7R0.4 CC(=O)CCCCCl 240931 [0,2,0,0,0,0|0,1,1]=4 762 B7R0.4 CC(=S)OCCCCl 102394 [0,2,0,0,0,0|0,0,2]=4 763 B7R0.4 CC(C)CCNC=O 104304 [0,2,0,0,0,0|1,0,1]=4 764 B7R0.4 CC(C)CCON=O 046832 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.4 CC(C)CNCCN 104760 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.4 CC(C)OCCCN 520884 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.4 CCCCCC(C)=O 104307 [0,2,0,0,0,0|0,1,1]=4 768 B7R0.4 CCCCCC(C)O 235688 [0,2,0,0,0,0|0,1,0]=3 769 B7R0.4 CCCCNC(C)=O 103568 [0,2,0,0,0,0|0,1,1]=4 770 B7R0.4 CCCCOC(C)=O 098991 [0,2,0,0,0,0|0,1,1]=4 771 B7R0.4 CCCCOC(C)=O 102158 [0,2,0,0,0,0|0,1,1]=4 772 B7R0.4 CCNCCN(C)C 402341 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.4 CN(C)CCCC#N 217818 [0,2,0,0,0,0|2,0,0]=4 774 B7R0.4 CN(C)CCCCN 019580 [0,2,0,0,0,0|2,0,0]=4 775 B7R0.4 CNCCCN(C)C 065099 [0,2,0,0,0,0|2,0,0]=4 776 B7R0.4 CNCCNC(C)C 024580 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.4 COCCNC(C)C 013931 [0,2,0,0,0,0|1,0,0]=3 778 B7R0.6 CC(=O)CCC(C)=O 494125 [0,2,0,0,0,0|0,1,1]=4 779 B7R0.6 CC(=O)CCC(C)C 106440 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.6 CC(=O)CCN(C)C 043224 [0,2,0,0,0,0|0,1,1]=4 781 B7R0.6 CC(=O)NCC(C)C 103683 [0,2,0,0,0,0|0,1,1]=4 782 B7R0.6 CC(=O)OCC(C)C 095004 [0,2,0,0,0,0|0,1,1]=4 783 B7R0.6 CC(C)SSC(C)C 099108 [0,2,0,0,0,0|2,0,0]=4 784 B7R0.6 CC(O)C#CC(C)O 242593 [0,2,0,0,0,0|0,1,1]=4 785 B7R0.6 CC(O)CCC(C)O 241359 [0,2,0,0,0,0|0,1,0]=3 786 B7R0.6 CN(C)CCN(C)C 023278 [0,2,0,0,0,0|2,0,0]=4 787 B7R0.6 CN(C)CCN(C)C 102583 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.6 CN(C)CCN(C)C 104582 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.6 C[N-](C)CC[N-](C)C 466866 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.8 CC(C)(C)NCCCl 098591 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.8 CC(C)(C)NCCO 116000 [0,2,0,0,0,0|2,0,0]=4 792 B7R0.8 CC(C)(C)OCCO 139800 [0,2,0,0,0,0|2,0,0]=4 793 B7R0.8 CC(C)(C)SCCN 018341 [0,2,0,0,0,0|2,0,0]=4 794 B7R0.8 CC(F)(F)CCCCl 099786 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.8 CCCC[Si](C)(C)Cl 005254 [0,2,0,0,0,0|1,1,0]=4 796 B7R0.8 CNCCC(C)(C)C 104302 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.8 CS(=O)(=O)CCCO 233969 [0,2,0,0,0,0|1,1,0]=4 798 B7R0.8 C[N+](C)(C)CCCBr 242798 [0,2,0,0,0,0|2,0,0]=4 799 B7R0.8 FC(F)(F)CCCBr 001531 [0,2,0,0,0,0|2,0,0]=4 800 B7R0.8 FC(F)(F)CCCI 001539 [0,2,0,0,0,0|2,0,0]=4 801 B7R0.8 NCCCC(F)(F)F 034745 [0,2,0,0,0,0|2,0,0]=4 802 B7R0.8 OCCCC(F)(F)F 001532 [0,2,0,0,0,0|2,0,0]=4 803 B5R1.2 BrC1COC1 107040 [1,0,0,1,0,0|2,0,0]=4 804 B5R1.2 BrC1COC1 223475 [1,0,0,1,0,0|2,0,0]=4 805 B5R1.2 IC1COC1 242158 [1,0,0,1,0,0|2,0,0]=4 806 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|1,0,0]=3 807 B5R1.2 NC1COC1 320095 [1,0,0,1,0,0|2,0,0]=4 808 B5R1.2 O=C1CCC1 033237 [1,0,0,1,0,0|0,1,1]=4 809 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|0,1,0]=3 810 B5R1.2 OC1CNC1 013898 [1,0,0,1,0,0|1,1,0]=4 811 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|1,1,0]=4 812 B5R1.3 BrCC1CC1 003713 [1,0,0,1,0,0|2,0,0]=4 813 B5R1.3 BrCC1CO1 BR1167 [1,0,0,1,0,0|1,1,0]=4 814 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|0,1,0]=3 815 B5R1.3 ClCC1CC1 049157 [1,0,0,1,0,0|2,0,0]=4 816 B5R1.3 ClCC1CO1 095340 [1,0,0,1,0,0|1,1,0]=4 817 B5R1.3 ClC[C@@H]1CO1 023907 [1,0,0,1,0,0|1,1,0]=4 818 B5R1.3 ClC[C@H]1CO1 023906 [1,0,0,1,0,0|1,1,0]=4 819 B5R1.3 ICC1CC1 062968 [1,0,0,1,0,0|2,0,0]=4 820 B5R1.3 NCC1CC1 044419 [1,0,0,1,0,0|2,0,0]=4 821 B5R1.3 NCC1CC1 329340 [1,0,0,1,0,0|2,0,0]=4 822 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|2,0,0]=4 823 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|1,1,0]=4 824 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|1,1,0]=4 825 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|1,1,0]=4 826 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|2,0,0]=4 827 B5R1.1 C1=CCCC1 520876 [1,0,0,1,0,0|0,0,2]=4 828 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|1,0,0]=3 829 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|0,1,0]=3 830 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|0,1,0]=3 831 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|0,1,0]=3 832 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|0,1,0]=3 833 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|0,1,0]=3 834 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|0,1,0]=3 835 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|0,1,0]=3 836 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|0,1,0]=3 837 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|0,1,0]=3 838 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|0,0,0]=2 839 B5R1.1 C1COCO1 098850 [1,0,0,1,0,0|1,1,0]=4 840 B5R1.1 C1CSCN1 243195 [1,0,0,1,0,0|1,0,0]=3 841 B7R1.1 BrCC1CCCC1 036984 [0,1,0,1,0,0|1,0,0]=3 842 B7R1.1 BrCC1CCCO1 067835 [0,1,0,1,0,0|0,1,0]=3 843 B7R1.1 BrCC1OCCO1 077359 [0,1,0,1,0,0|1,1,0]=4 844 B7R1.1 C#CC1CCCC1 099433 [0,1,0,1,0,0|1,0,0]=3 845 B7R1.1 C(=O)N1CCCC1 341911 [0,1,0,1,0,0|1,1,0]=4 846 B7R1.1 CNC1CCCC1 024973 [0,1,0,1,0,0|1,0,0]=3 847 B7R1.1 COC1=NCCC1 008046 [0,1,0,1,0,0|1,0,1]=4 848 B7R1.1 COC1CCCC1 094844 [0,1,0,1,0,0|0,1,0]=3 849 B7R1.1 COC1CCCC1 106161 [0,1,0,1,0,0|0,1,0]=3 850 B7R1.1 ClCC1CCCO1 171500 [0,1,0,1,0,0|0,1,0]=3 851 B7R1.1 ClCC1OCCO1 080067 [0,1,0,1,0,0|1,1,0]=4 852 B7R1.1 N#CC1CCCC1 467169 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.1 N#C[C@@H]1CCCN1 011884 [0,1,0,1,0,0|1,0,1]=4 854 B7R1.1 NCC1CCCO1 094973 [0,1,0,1,0,0|0,1,0]=3 855 B7R1.1 NC[C@@H]1CCCO1 228127 [0,1,0,1,0,0|0,1,0]=3 856 B7R1.1 NC[C@H]1CCCO1 216897 [0,1,0,1,0,0|0,1,0]=3 857 B7R1.1 NNC1CCCC1 069074 [0,1,0,1,0,0|1,0,0]=3 858 B7R1.1 OCC1CCCC1 067781 [0,1,0,1,0,0|0,1,0]=3 859 B7R1.1 OCC1CCCN1 093752 [0,1,0,1,0,0|1,0,0]=3 860 B7R1.1 OCC1CCCO1 235709 [0,1,0,1,0,0|0,1,0]=3 861 B7R1.1 OCC1CCOC1 208614 [0,1,0,1,0,0|1,1,0]=4 862 B7R1.1 OC[C@@H]1CCCN1 M03445 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.1 OC[C@H]1CCCN1 045535 [0,1,0,1,0,0|1,0,0]=3 864 B7R1.1 OC[C@H]1CCCO1 304017 [0,1,0,1,0,0|0,1,0]=3 865 B7R1.1 ON=C1CCCC1 227999 [0,1,0,1,0,0|0,1,1]=4 866 B7R1.1 [C-]#[N+]C1CCCC1 021030 [0,1,0,1,0,0|1,0,0]=3 867 B7R1.2 CC1CCC(=O)N1 232918 [0,1,0,1,0,0|1,0,1]=4 868 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,1,0,0|0,1,1]=4 869 B7R1.2 CC1CCC(C)N1 105831 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.2 CC1CCC(O)C1 013642 [0,1,0,1,0,0|0,1,0]=3 871 B7R1.2 CN1CCC(O)C1 040009 [0,1,0,1,0,0|0,1,0]=3 872 B7R1.2 CN1CC[C@H](O)C1 092713 [0,1,0,1,0,0|0,1,0]=3 873 B7R1.2 OC1CCC(O)C1 501728 [0,1,0,1,0,0|0,1,0]=3 874 B7R1.3 BN1CCOCC1 102048 [0,1,0,1,0,0|2,0,0]=4 875 B7R1.3 BrC1C=CCCC1 091672 [0,1,0,1,0,0|1,0,1]=4 876 B7R1.3 BrC1CCCCC1 097678 [0,1,0,1,0,0|1,0,0]=3 877 B7R1.3 BrC1CCNCC1 024234 [0,1,0,1,0,0|1,0,0]=3 878 B7R1.3 BrC1CCOCC1 077342 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.3 C=C1CCCCC1 238843 [0,1,0,1,0,0|1,0,1]=4 880 B7R1.3 CC1=CCCCC1 098887 [0,1,0,1,0,0|1,0,1]=4 881 B7R1.3 CC1CCCCC1 013924 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.3 CC1CCCCN1 098820 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.3 CC1CCCNC1 095841 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.3 CC1CCNCC1 005025 [0,1,0,1,0,0|1,0,0]=3 885 B7R1.3 CC1CCNCC1 106043 [0,1,0,1,0,0|1,0,0]=3 886 B7R1.3 CC1CNCCN1 023229 [0,1,0,1,0,0|1,0,0]=3 887 B7R1.3 CC1CNCCO1 075555 [0,1,0,1,0,0|0,1,0]=3 888 B7R1.3 CC1COCCN1 093767 [0,1,0,1,0,0|1,0,0]=3 889 B7R1.3 CC1SCCCS1 069036 [0,1,0,1,0,0|0,0,0]=2 890 B7R1.3 CN1CCCCC1 098869 [0,1,0,1,0,0|2,0,0]=4 891 B7R1.3 CN1CCNCC1 022134 [0,1,0,1,0,0|2,0,0]=4 892 B7R1.3 CN1CCNCC1 104603 [0,1,0,1,0,0|2,0,0]=4 893 B7R1.3 CN1CCNCC1 320129 [0,1,0,1,0,0|2,0,0]=4 894 B7R1.3 CN1CCOCC1 043444 [0,1,0,1,0,0|2,0,0]=4 895 B7R1.3 CN1CCOCC1 104657 [0,1,0,1,0,0|2,0,0]=4 896 B7R1.3 C[C@@H]1CNCCN1 011823 [0,1,0,1,0,0|1,0,0]=3 897 B7R1.3 C[C@H]1CNCCN1 011818 [0,1,0,1,0,0|1,0,0]=3 898 B7R1.3 C[C@H]1CNCCO1 076728 [0,1,0,1,0,0|0,1,0]=3 899 B7R1.3 ClC1CCCCC1 494120 [0,1,0,1,0,0|1,0,0]=3 900 B7R1.3 ClC1CCNCC1 040191 [0,1,0,1,0,0|1,0,0]=3 901 B7R1.3 FC1CCCNC1 009738 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.3 FC1CCNCC1 009739 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.3 IC1CCCCC1 095024 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.3 IC1CCOCC1 067477 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.3 N=C1CCCCN1 437867 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.3 NC1CCCCC1 005016 [0,1,0,1,0,0|1,0,0]=3 907 B7R1.3 NC1CCCCC1 094537 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.3 NC1CCCCC1 123312 [0,1,0,1,0,0|1,0,0]=3 909 B7R1.3 NC1CCCNC1 064988 [0,1,0,1,0,0|1,0,0]=3 910 B7R1.3 NC1CCCOC1 041901 [0,1,0,1,0,0|1,0,0]=3 911 B7R1.3 NC1CCNCC1 011407 [0,1,0,1,0,0|1,0,0]=3 912 B7R1.3 NC1CCOCC1 023514 [0,1,0,1,0,0|1,0,0]=3 913 B7R1.3 NC1CCOCC1 043887 [0,1,0,1,0,0|1,0,0]=3 914 B7R1.3 NN1CCCCC1 235886 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.3 NN1CCOCC1 064992 [0,1,0,1,0,0|2,0,0]=4 916 B7R1.3 O=C1CCCCC1 046757 [0,1,0,1,0,0|0,1,1]=4 917 B7R1.3 O=C1CCCCC1 101607 [0,1,0,1,0,0|0,1,1]=4 918 B7R1.3 O=C1CCCCN1 043484 [0,1,0,1,0,0|0,1,1]=4 919 B7R1.3 O=C1CCCCO1 448260 [0,1,0,1,0,0|0,1,1]=4 920 B7R1.3 O=C1CCCNC1 078172 [0,1,0,1,0,0|0,1,1]=4 921 B7R1.3 O=C1CCCOC1 070460 [0,1,0,1,0,0|0,1,1]=4 922 B7R1.3 O=C1CCNCC1 008861 [0,1,0,1,0,0|0,1,1]=4 923 B7R1.3 O=C1CCOCC1 036435 [0,1,0,1,0,0|0,1,1]=4 924 B7R1.3 O=C1CCSCC1 069034 [0,1,0,1,0,0|0,1,1]=4 925 B7R1.3 OC1CCCCC1 094602 [0,1,0,1,0,0|0,1,0]=3 926 B7R1.3 OC1CCCCO1 068766 [0,1,0,1,0,0|0,1,0]=3 927 B7R1.3 OC1CCCNC1 011774 [0,1,0,1,0,0|0,1,0]=3 928 B7R1.3 OC1CCCNC1 068876 [0,1,0,1,0,0|0,1,0]=3 929 B7R1.3 OC1CCCOC1 047681 [0,1,0,1,0,0|0,1,0]=3 930 B7R1.3 OC1CCNCC1 043869 [0,1,0,1,0,0|0,1,0]=3 931 B7R1.3 OC1CCOCC1 068764 [0,1,0,1,0,0|0,1,0]=3 932 B7R1.3 OC1COCOC1 069030 [0,1,0,1,0,0|1,1,0]=4 933 B7R1.3 O[C@@H]1CCCNC1 011776 [0,1,0,1,0,0|0,1,0]=3 934 B7R1.3 O[C@H]1CCCNC1 011775 [0,1,0,1,0,0|0,1,0]=3 935 B7R1.3 SC1CCCCC1 099097 [0,1,0,1,0,0|0,0,0]=2 936 B7R1.4 CC1CCCC1=O 217631 [0,1,0,1,0,0|0,1,0]=3 937 B7R1.4 CC1CCOC1=O 092467 [0,1,0,1,0,0|1,1,0]=4 938 B7R1.4 CC1OCCC1S 358069 [0,1,0,1,0,0|0,1,0]=3 939 B7R1.4 CN1CCCC1=O 035918 [0,1,0,1,0,0|0,1,1]=4 940 B7R1.4 CN1CCCC1=O 041934 [0,1,0,1,0,0|0,1,1]=4 941 B7R1.4 CN1CCCC1=S 180035 [0,1,0,1,0,0|0,0,2]=4 942 B7R1.4 N[C@@H]1CCC[C@H]1O 093661 [0,1,0,1,0,0|0,1,0]=3 943 B7R1.4 O[C@@H]1CNC[C@H]1F 360781 [0,1,0,1,0,0|1,1,0]=4 944 B7R1.4 O[C@H]1CCC[C@H]1O 342198 [0,1,0,1,0,0|0,1,0]=3 945 B7R1.4 O[C@H]1CNC[C@@H]1O 224938 [0,1,0,1,0,0|1,1,0]=4 946 B7R1.4 O[C@H]1COC[C@H]1O 319812 [0,1,0,1,0,0|1,1,0]=4 947 B7R1.6 CNCC1CCC1 104292 [0,1,0,1,0,0|2,0,0]=4 948 B7R1.22 CNC(=O)C1CC1 527999 [0,1,0,1,0,0|0,1,1]=4 949 B7R1.22 COC(=O)C1CC1 022090 [0,1,0,1,0,0|0,1,1]=4 950 B7R1.22 C\C(=N/O)C1CC1 075938 [0,1,0,1,0,0|0,1,1]=4 951 B7R1.22 O=C(CBr)C1CC1 064670 [0,1,0,1,0,0|0,1,1]=4 952 B7R1.25 CC1(C=O)COC1 224037 [0,1,0,1,0,0|1,1,0]=4 953 B7R1.25 CC1(CBr)COC1 033204 [0,1,0,1,0,0|2,0,0]=4 954 B7R1.25 CC1(CO)COC1 076843 [0,1,0,1,0,0|1,1,0]=4 955 B7R1.16 NC1CC(F)(F)C1 091836 [0,1,0,1,0,0|2,0,0]=4 956 B7R1.20 CC(=O)NC1CC1 103802 [0,1,0,1,0,0|0,1,1]=4 957 B7R1.18 CC(=O)C1CCC1 513334 [0,1,0,1,0,0|0,1,1]=4 958 B7R1.23 FC1(F)CC1CBr 024175 [0,1,0,1,0,0|2,0,0]=4 959 B7R1.23 OCC1CC1(F)F 024174 [0,1,0,1,0,0|2,0,0]=4 960 B7R1.7 CCCCC1CO1 099159 [0,1,0,1,0,0|0,1,0]=3 961 B7R1.14 CC1(C)COCN1 535769 [0,1,0,1,0,0|2,0,0]=4 962 B7R1.14 CC1(C)NCCS1 077828 [0,1,0,1,0,0|1,0,0]=3 963 B7R1.14 CC1(C)OCCO1 103483 [0,1,0,1,0,0|1,1,0]=4 964 B7R1.14 CC1(O)CCCC1 078752 [0,1,0,1,0,0|0,1,0]=3 965 B7R1.14 FC1(F)CCNC1 010725 [0,1,0,1,0,0|2,0,0]=4 966 B7R1.14 O=S1(=O)CCCC1 044698 [0,1,0,1,0,0|1,1,0]=4 967 B7R1.14 O=S1(=O)CCCC1 102836 [0,1,0,1,0,0|1,1,0]=4 968 B7R2.13 C1CC2OC2C1 078957 [0,0,0,2,0,0|0,1,0]=3 969 B7R2.13 C1OCC2OC12 091902 [0,0,0,2,0,0|1,1,0]=4 970 B7R2.5 NC12CC(C1)C2 098697 [0,0,0,2,0,0|1,0,0]=3