0 B7R0.3 C=CC(=O)NCCN 362041 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C=CCCC(=O)OC 540759 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.3 C=CCOC(=O)OC 067150 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 CCC(=O)NCCO 402339 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CCCCC(=O)OC 103432 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.3 CCCC\C(C)=N\O 104327 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 CCSCC(=O)OC 094646 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.3 CC\C=C\C(=O)OC 011184 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.3 COC(=O)CCC#N 156000 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.3 COC(=O)CCCBr 214657 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.3 COC(=O)CCCCl 386752 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.3 COC(=O)CCCI 336691 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.3 COC(=O)CCCN 009954 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.3 COC(=O)CN=C=S 002598 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 COC(=O)CN=[N+]=[N-] 047876 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.3 COC(=O)CNC=O 238980 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.3 COC(=O)\C=C\CBr 049963 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.3 COCCC(=O)NN 019318 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 COCCC(=O)OC 349308 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.3 CO\C=C\C(=O)OC 208663 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.3 C\C=C\CC(=O)OC 099391 [0,0,0,0,0,0|0,0,2]=2 21 B7R0.3 NNC(=O)CCCO 368041 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.1 C#CC(=O)OCC 003001 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 C=CC(=O)OCC 094594 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 C=CCC(=O)OC 513980 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.1 CC#CC(=O)OC 155800 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.1 CCCC(=O)NN 018345 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 CCCC(=O)OC 358407 [1,0,0,0,0,0|0,0,0]=1 28 B6R0.1 CCNC(=O)CCl 069838 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.1 CCNC(=O)CN 075036 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.1 CCNC(=O)OC 104168 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.1 CCOC(=O)C#N 046945 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.1 CCOC(=O)C=O 079534 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.1 CCOC(=O)CBr 006091 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 CCOC(=O)CC 094652 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.1 CCOC(=O)CCl 097784 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.1 CCOC(=O)CF 019465 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.1 CCOC(=O)CI 324768 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.1 CCOC(=O)CN 094472 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.1 CCOC(=O)CO 227697 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.1 CCOC(=O)CS 099611 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.1 CCOC(=O)NN 208618 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.1 CNC(=O)CC#N 078007 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CNC(=O)CCBr 104783 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.1 CNCC(=O)OC M03234 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.1 COC(=O)CC#N 034870 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.1 COC(=O)CCBr 216315 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.1 COC(=O)CCI 103108 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.1 COC(=O)CCN 032703 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.1 COC(=O)CCO 223297 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.1 COC(=O)CCS 053164 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.1 COC(=O)CSC 002978 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.1 COC(=O)\C=C\[O-] 102950 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.1 COCC(=O)NN 005975 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.1 COCC(=O)OC 358440 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.1 C\C=C\C(=O)OC 236942 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.1 [C-]#[N+]CC(=O)OC 358364 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.4 C#CCCC(=O)O 164204 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.4 C#CCNC(C)=O 471787 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.4 C#CCOC(C)=O 167000 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.4 C(CC)=CC(=O)O 001396 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.4 C=C(C)CNCC 098963 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 C=CCCC(=O)O 002777 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.4 C=CCCC(C)=O 358446 [1,0,0,0,0,0|0,0,2]=3 64 B6R0.4 C=CCNC(C)=O 103870 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.4 C=CCOC(C)=O 099570 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 CC(=O)CCCCl 326218 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.4 CC(=O)CCCO 093373 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.4 CC(=O)NCCN 226270 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CC(=O)NCCO 094790 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(=O)NCCS 106473 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(=O)OCCBr 024963 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CC(=O)OCCO 046708 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CC(Br)CCCBr 001096 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(O)CCCO 386330 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.4 CCC#CC(=O)O 164200 [1,0,0,0,0,0|0,0,2]=3 76 B6R0.4 CCCCB(O)O 010773 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.4 CCCCC(=O)Cl 099590 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.4 CCCCC(=O)O 066625 [1,0,0,0,0,0|0,0,0]=1 79 B6R0.4 CCCCC(C)=O 098350 [1,0,0,0,0,0|0,0,0]=1 80 B6R0.4 CCCCC(C)N 214315 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.4 CCCCC(N)=O 176500 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.4 CCCCN(C)C 115800 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 CCCC[C@@H](C)O 036116 [1,0,0,0,0,0|0,0,2]=3 84 B6R0.4 CCCNC(C)=O 099232 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.4 CCCNC(N)=S 018984 [1,0,0,0,0,0|2,1,0]=4 86 B6R0.4 CCCOC(C)=O 104128 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.4 CCOCC(=O)O 461062 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.4 CCSCC(=O)O 001760 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.4 CN(C)CCCBr 079586 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 CN(C)CCCCl 240358 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.4 CN(C)CCCN 094726 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 CN(C)CCCO 242665 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 CNCCC(C)C 321590 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 CNCCN(C)C 236768 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.4 COCCC(=O)Cl 014676 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.4 COCCC(=O)O 091199 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.4 COCCC(N)=O 091205 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.4 CO\C=C\C(C)=O 099154 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.4 CSCCC(=O)O 013666 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.4 NC(=O)NCCO 319865 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.4 NC(=O)OCCCl 103494 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 NCCCC(=O)O 005047 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.4 NCCNC(N)=O 033079 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.4 O=C(Cl)CCCBr 001349 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.4 O=C(Cl)CCCCl 099540 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.4 O=C(O)CCCBr 043390 [1,0,0,0,0,0|1,0,0]=2 107 B6R0.4 O=C([O-])CNCO 226097 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.4 O=CCCC(=O)O 103323 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.6 C#CCCCCC 144400 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.6 C=COCCCC 106580 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.6 CCCCCC#N 002444 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.6 CCCCCC=O 094968 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.6 CCCCCCBr 098897 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.6 CCCCCCC 044743 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.6 CCCCCCC 099896 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.6 CCCCCCC 107019 [1,0,0,0,0,0|1,0,1]=3 117 B6R0.6 CCCCCCC 995188 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.6 CCCCCCN 094631 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.6 CCCCCCO 349294 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.6 CCCCCCS 145400 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.6 CCCCCNC 056875 [1,0,0,0,0,0|1,0,1]=3 122 B6R0.6 CCCCN=C=O 102722 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.6 CCCCN=C=S 008752 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.6 CCCCNC=O 103559 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.6 CCCCNCC 097790 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.6 CCCNCCC 102049 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.6 CCC\C=C\C=O 098868 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.6 CCNCCCN 544204 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.6 CCNCCCO 387141 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.6 CCNCCNC 024572 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.6 CCOCCCN 097753 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.6 CCOCOCC 094651 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.6 CC\C=C/CCO 240925 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.6 CNCCCCO 239842 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.6 CNCCCNC 236622 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.6 CNCCCOC 309894 [1,0,0,0,0,0|1,0,1]=3 137 B6R0.6 COCCCCBr 079657 [1,0,0,0,0,0|1,0,1]=3 138 B6R0.6 COCCCCO 236682 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.6 CSCCCCO 035889 [1,0,0,0,0,0|1,1,1]=4 140 B6R0.6 C\C=C\CCCO 433438 [1,0,0,0,0,0|2,0,0]=3 141 B8R0.1 CCCCC(=O)OCC 241120 [0,1,0,0,0,0|0,0,0]=1 142 B8R0.1 CCCNC(=O)CC#N 042752 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.1 CCOC(=O)CCC#N 332295 [0,1,0,0,0,0|1,0,1]=3 144 B8R0.1 CCOC(=O)CCCBr 139400 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.1 CCOC(=O)CCCI 227460 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.1 CCOC(=O)CCCN 033082 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.1 CCOC(=O)CN=C=O 018685 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.1 CCOC(=O)CN=C=S 008963 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.1 CCOC(=O)CN=[N+]=[N-] 104840 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.1 CCOC(=O)CSCC 094645 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.1 CCOC(=O)\C=C\CBr 358026 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.3 CCCC(Br)C(=O)OC 099965 [0,1,0,0,0,0|0,0,0]=1 153 B8R0.3 CCCC(C)C(=O)OC 102877 [0,1,0,0,0,0|0,0,0]=1 154 B8R0.3 CCOC(=O)C(=O)CC 075979 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.3 COC(=O)C(Br)CCBr 044197 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.6 C=CC(=O)OCCCC 099438 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.6 C=CCCCC(=O)OC 103881 [0,1,0,0,0,0|0,0,1]=2 158 B8R0.6 CCCCCC(=O)NN 045795 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.6 CCCCCC(=O)OC 103044 [0,1,0,0,0,0|0,0,0]=1 160 B8R0.6 CCCCNC(=S)NN 018342 [0,1,0,0,0,0|2,1,0]=4 161 B8R0.6 CCCSCC(=O)OC 095137 [0,1,0,0,0,0|0,0,0]=1 162 B8R0.6 COC(=O)CCCCBr 210250 [0,1,0,0,0,0|0,0,0]=1 163 B8R0.6 COC(=O)CCCCI 103067 [0,1,0,0,0,0|0,0,0]=1 164 B8R0.6 COC(=O)CCN=C=S 009537 [0,1,0,0,0,0|1,0,1]=3 165 B8R0.6 COC(=O)CSCC#N 095136 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.8 C=C(C)C(=O)NCOC 106343 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.8 C=C(C)C(=O)OCCCl 104860 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.8 C=C(C)C(=O)OCCN 013402 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.8 C=C(C)C(=O)OCCO 358471 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.8 CN(C)C(=O)CCCN 360246 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.8 COCCC(=O)N(C)C 091209 [0,1,0,0,0,0|2,0,0]=3 172 B8R0.9 COC(=O)CCC(=O)Cl 366676 [0,1,0,0,0,0|1,0,1]=3 173 B8R0.9 COC(=O)CCC(=O)O 001779 [0,1,0,0,0,0|1,0,1]=3 174 B8R0.9 COC(=O)CCC(C)=O 099360 [0,1,0,0,0,0|0,0,1]=2 175 B8R0.9 COC(=O)CSC(C)C 095097 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.9 COC(=O)\C=C\C(C)C 011190 [0,1,0,0,0,0|0,0,2]=3 177 B8R0.11 CCCCC(C=O)CC 106312 [0,1,0,0,0,0|1,0,1]=3 178 B8R0.11 CCCCC(CC)CBr 023235 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.11 CCCCC(CC)CN 099016 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.11 CCCCC(CC)CO 240935 [0,1,0,0,0,0|1,0,2]=4 181 B8R0.11 CCC\C=C(\C=O)CC 069958 [0,1,0,0,0,0|1,0,1]=3 182 B8R0.19 CCC(=O)CC(=O)OC 023871 [0,1,0,0,0,0|0,0,1]=2 183 B8R0.19 CCC(C)CC(=O)OC 097640 [0,1,0,0,0,0|0,0,0]=1 184 B8R0.19 COC(=O)CC(=O)OC 996204 [0,1,0,0,0,0|1,0,1]=3 185 B8R0.19 COC(=O)CN(C)C=O 215118 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.19 COC(=O)OC(=O)OC 094876 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.25 CCCC[Si](C)(C)OC S03310 [0,1,0,0,0,0|1,1,0]=3 188 B8R0.25 CO[Si](C)(C)CCCN 005258 [0,1,0,0,0,0|2,1,0]=4 189 B8R1.1 CNC1=NCC(C)S1 180081 [0,0,0,1,0,0|2,1,0]=4 190 B8R1.1 NCC1CCC(=O)N1 318323 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.1 O=C1CC(CO)CN1 038551 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.1 O=C1CC[C@@H](CO)N1 093783 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.1 O=C1CC[C@@H](CO)O1 040029 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.1 O=C1CC[C@H](CO)N1 040026 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.1 O=C1NC[C@@H](CCl)O1 238564 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.1 O=C1OCC(CO)O1 521458 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.2 CC=C1CCCCC1 105541 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.2 CCC1CCCCN1 238822 [0,0,0,1,0,0|2,0,1]=4 199 B8R1.2 CCN1CCCCC1 180030 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.2 CNC1CCCCC1 221640 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.2 COC1=NCCCC1 008049 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.2 COC1CCNCC1 029227 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.2 COC1CCNCC1 046103 [0,0,0,1,0,0|2,0,1]=4 204 B8R1.2 CSC1=NCCCN1 069053 [0,0,0,1,0,0|2,1,0]=4 205 B8R1.2 NOC1CCCCO1 076716 [0,0,0,1,0,0|1,0,2]=4 206 B8R1.2 O=CC1=CCCCC1 235736 [0,0,0,1,0,0|3,0,0]=4 207 B8R1.2 ON=C1CCCCC1 371936 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.3 CC1=NNC(=O)CC1 068760 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.3 CC1CCC(=O)CC1 241022 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.3 CC1CCC(N)CC1 235459 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.3 CC1CCC(O)CC1 221545 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.3 CN1CCC(=O)CC1 078184 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.3 CN1CCC(=O)CC1 105797 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.3 C[C@H]1CC[C@H](N)CC1 040157 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.3 C[C@H]1CC[C@H](O)CC1 103562 [0,0,0,1,0,0|1,0,2]=4 216 B8R1.3 O=C1CCC(=O)CC1 078914 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.3 O=C1CCC(O)CC1 069093 [0,0,0,1,0,0|2,0,0]=3 218 B8R1.5 CC1CCCCC1=O 463405 [0,0,0,1,0,0|1,0,0]=2 219 B8R1.5 CC1CCCCC1N 222026 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.5 CC1CCCCC1O 037382 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.5 CN1CCCCC1=O 240152 [0,0,0,1,0,0|1,0,0]=2 222 B8R1.5 NC1CCCNC1=O 075567 [0,0,0,1,0,0|3,0,0]=4 223 B8R1.5 O=C1CCCCC1=O 123100 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.5 O=C1CCCCC1Cl 235014 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.22 BrC1CCCCCC1 238778 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.22 NC1CCCCCC1 046759 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.22 O=C1C=CCCCC1 208633 [0,0,0,1,0,0|1,0,1]=3 228 B8R1.22 O=C1CCCCCC1 098940 [0,0,0,1,0,0|1,0,0]=2 229 B8R1.22 O=C1CCCCCN1 102927 [0,0,0,1,0,0|1,0,0]=2 230 B8R1.22 O=C1CCCCCO1 094875 [0,0,0,1,0,0|0,0,0]=1 231 B8R1.22 O=C1CCNCCN1 011670 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.22 OC1CCCCCC1 235579 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.22 S=C1CCCCCN1 099229 [0,0,0,1,0,0|1,1,0]=3 234 B8R1.38 COC(=O)C1CCC1 094004 [0,0,0,1,0,0|0,0,0]=1 235 B8R1.40 O=C(CCl)NC1CC1 042348 [0,0,0,1,0,0|3,0,0]=4 236 B8R1.50 CC1C(=O)CCC1=O 079158 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.50 CC1CCC(=O)C1=O 319433 [0,0,0,1,0,0|2,0,0]=3 238 B5R0.1 C=C(C)CCBr 223736 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.1 C=C(C)CCO 358461 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 C=C(C)OCC 471668 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.1 CC#CC(=O)O 009075 [2,0,0,0,0,0|0,0,2]=4 242 B5R0.1 CC(=O)CCCl 069833 [2,0,0,0,0,0|1,0,0]=3 243 B5R0.1 CC(=O)CCO 358442 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.1 CC(=O)NCO 430081 [2,0,0,0,0,0|2,0,0]=4 245 B5R0.1 CCCB(O)O 092177 [2,0,0,0,0,0|1,0,1]=4 246 B5R0.1 CCCC(=O)Cl 098879 [2,0,0,0,0,0|1,0,0]=3 247 B5R0.1 CCCC(=O)O 102473 [2,0,0,0,0,0|0,0,0]=2 248 B5R0.1 CCCC(C)Br 024476 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.1 CCCC(C)Br BR1101 [2,0,0,0,0,0|1,0,1]=4 250 B5R0.1 CCCC(C)C 098758 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.1 CCCC(C)N 097754 [2,0,0,0,0,0|1,0,1]=4 252 B5R0.1 CCCC(C)O 099024 [2,0,0,0,0,0|0,0,2]=4 253 B5R0.1 CCCC(C)S 070734 [2,0,0,0,0,0|0,1,1]=4 254 B5R0.1 CCCC(N)=O 356018 [2,0,0,0,0,0|1,0,0]=3 255 B5R0.1 CCC[C@H](C)O 036089 [2,0,0,0,0,0|0,0,2]=4 256 B5R0.1 CCC[N+](=O)[O-] 520877 [2,0,0,0,0,0|1,0,1]=4 257 B5R0.1 CCOC(=O)Cl 099901 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.1 CCOC(C)=N 239394 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.1 CCOC(C)=O 035909 [2,0,0,0,0,0|1,0,0]=3 260 B5R0.1 CCOC(C)=O 099553 [2,0,0,0,0,0|1,0,0]=3 261 B5R0.1 CCOC(C)=O 099895 [2,0,0,0,0,0|1,0,0]=3 262 B5R0.1 CCOC(N)=O 099367 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.1 CNCC(=O)O 095119 [2,0,0,0,0,0|1,0,0]=3 264 B5R0.1 COCC(=O)Cl 053542 [2,0,0,0,0,0|2,0,0]=4 265 B5R0.1 COCC(=O)O 237785 [2,0,0,0,0,0|1,0,0]=3 266 B5R0.1 COCC(C)=O 002450 [2,0,0,0,0,0|1,0,0]=3 267 B5R0.1 CSCC(=O)O 010416 [2,0,0,0,0,0|1,0,0]=3 268 B5R0.1 CSCC(N)=O 092321 [2,0,0,0,0,0|2,0,0]=4 269 B5R0.1 CSCS(C)=O 303199 [2,0,0,0,0,0|2,0,0]=4 270 B5R0.1 C\C=C\C(=O)O 092792 [2,0,0,0,0,0|0,0,2]=4 271 B5R0.1 N#CCC(=O)O 098058 [2,0,0,0,0,0|1,0,1]=4 272 B5R0.1 NC(=O)CCBr 456436 [2,0,0,0,0,0|2,0,0]=4 273 B5R0.1 NC(=O)CCCl 180018 [2,0,0,0,0,0|2,0,0]=4 274 B5R0.1 NCCC(=O)O 044720 [2,0,0,0,0,0|1,0,0]=3 275 B5R0.1 NCCC(N)=O 221578 [2,0,0,0,0,0|2,0,0]=4 276 B5R0.1 NOCC(=O)O 222804 [2,0,0,0,0,0|2,0,0]=4 277 B5R0.1 O=C(Cl)CCBr 104627 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.1 O=C(Cl)CCCl 095162 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.1 O=C(O)CCBr 003025 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.1 O=C(O)CCCl 242740 [2,0,0,0,0,0|1,0,0]=3 281 B5R0.1 O=C(O)CCI 003069 [2,0,0,0,0,0|1,0,0]=3 282 B5R0.1 O=C(O)CCO 147100 [2,0,0,0,0,0|1,0,0]=3 283 B5R0.1 O=C(O)CCS 094485 [2,0,0,0,0,0|1,0,0]=3 284 B5R0.2 C#CCCCC 098932 [2,0,0,0,0,0|0,0,2]=4 285 B5R0.2 C=CCCCBr 013455 [2,0,0,0,0,0|1,0,1]=4 286 B5R0.2 C=CCCCC 098845 [2,0,0,0,0,0|0,0,1]=3 287 B5R0.2 C=CCCCI 103315 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.2 C=CCCCO 164000 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.2 C=CCCNC 104185 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.2 CC#CCCC 145600 [2,0,0,0,0,0|0,0,2]=4 291 B5R0.2 CCCCC#N 386692 [2,0,0,0,0,0|1,0,1]=4 292 B5R0.2 CCCCC=O 094967 [2,0,0,0,0,0|0,0,0]=2 293 B5R0.2 CCCCC=O 106333 [2,0,0,0,0,0|0,0,0]=2 294 B5R0.2 CCCCCBr 098930 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.2 CCCCCC 094916 [2,0,0,0,0,0|0,0,1]=3 296 B5R0.2 CCCCCC 099897 [2,0,0,0,0,0|0,0,1]=3 297 B5R0.2 CCCCCC 102229 [2,0,0,0,0,0|0,0,1]=3 298 B5R0.2 CCCCCC 102412 [2,0,0,0,0,0|0,0,1]=3 299 B5R0.2 CCCCCI 349297 [2,0,0,0,0,0|1,0,1]=4 300 B5R0.2 CCCCCN 099587 [2,0,0,0,0,0|1,0,1]=4 301 B5R0.2 CCCCCO 101568 [2,0,0,0,0,0|0,0,1]=3 302 B5R0.2 CCCCNC 098817 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.2 CCCCNN 324841 [2,0,0,0,0,0|2,0,0]=4 304 B5R0.2 CCCC[Zn]Br 213843 [2,0,0,0,0,0|2,0,0]=4 305 B5R0.2 CCCNCC 099259 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.2 CCC\C=N\O 099610 [2,0,0,0,0,0|1,0,1]=4 307 B5R0.2 CCNCCO 094818 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.2 CCOCCO 037421 [2,0,0,0,0,0|1,0,1]=4 309 B5R0.2 CCSCCO 002951 [2,0,0,0,0,0|1,0,1]=4 310 B5R0.2 CC\C=C\C=O 466581 [2,0,0,0,0,0|0,0,2]=4 311 B5R0.2 CNCCCN 300980 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.2 CNCCCO 239815 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.2 CNCCNC 043850 [2,0,0,0,0,0|2,0,0]=4 314 B5R0.2 CNCCOC 011340 [2,0,0,0,0,0|1,0,0]=3 315 B5R0.2 COCCC#N 154600 [2,0,0,0,0,0|1,0,1]=4 316 B5R0.2 COCCCBr 043598 [2,0,0,0,0,0|1,0,0]=3 317 B5R0.2 COCCCN 242837 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.2 COCCCO 078666 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.2 COCCOC 098861 [2,0,0,0,0,0|1,0,0]=3 320 B5R0.2 COCCOC 106693 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.2 CSCCC=O 103329 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.2 CSCCCN 103438 [2,0,0,0,0,0|1,1,0]=4 323 B5R0.2 CSCCCO 069294 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.2 C\C=C\OCC 103024 [2,0,0,0,0,0|1,0,1]=4 325 B5R0.2 NCCCCO 036678 [2,0,0,0,0,0|1,0,1]=4 326 B5R0.2 OCCCCBr 036997 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.2 OCCCCCl 097634 [2,0,0,0,0,0|1,0,1]=4 328 B5R0.2 [C-]#[N+]CCCC 021027 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.3 C#CC(=O)OC 067148 [2,0,0,0,0,0|0,0,2]=4 330 B5R0.3 C=CC(=O)OC 520477 [2,0,0,0,0,0|0,0,2]=4 331 B5R0.3 CCC(=O)CBr 002514 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.3 CCC(=O)CC 094591 [2,0,0,0,0,0|1,0,0]=3 333 B5R0.3 CCC(=O)NC 103047 [2,0,0,0,0,0|1,0,0]=3 334 B5R0.3 CCC(=O)NN 026652 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.3 CCS(=O)CC 094782 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.3 CNC(=O)CBr 043828 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.3 CNC(=O)CCl 094091 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.3 CNC(=O)CN 075035 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.3 CNC(=O)NC 358273 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.3 COC(=O)C#N 102552 [2,0,0,0,0,0|1,0,1]=4 341 B5R0.3 COC(=O)CBr 006774 [2,0,0,0,0,0|1,0,0]=3 342 B5R0.3 COC(=O)CCl 095344 [2,0,0,0,0,0|1,0,0]=3 343 B5R0.3 COC(=O)CI 103193 [2,0,0,0,0,0|1,0,0]=3 344 B5R0.3 COC(=O)CN M03021 [2,0,0,0,0,0|1,0,0]=3 345 B5R0.3 COC(=O)CO 227696 [2,0,0,0,0,0|1,0,0]=3 346 B5R0.3 COC(=O)CS 011917 [2,0,0,0,0,0|1,0,0]=3 347 B5R0.3 COC(=O)NN 094656 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.3 COC(=O)OC 094559 [2,0,0,0,0,0|1,0,0]=3 349 B5R0.3 COC(=O)SCl 002587 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.3 COS(=O)OC 094292 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.3 CO[PH](=O)OC 098972 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.2 CNC(=O)CC(C)=O 240984 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.2 COC(=O)C=C(C)C 358413 [1,1,0,0,0,0|0,0,2]=4 354 B7R0.2 COC(=O)CC(=O)Cl 013167 [1,1,0,0,0,0|1,0,1]=4 355 B7R0.2 COC(=O)CC(=O)O 227679 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.2 COC(=O)CC(=O)[O-] 092550 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.2 COC(=O)CC(C)=O 094497 [1,1,0,0,0,0|0,0,1]=3 358 B7R0.2 COC(=O)CC(C)C 046834 [1,1,0,0,0,0|0,0,0]=2 359 B7R0.2 COC(=O)CC(N)=O 323080 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.2 COC(=O)CN(C)C 099922 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.2 COC(=O)C[C@@H](C)O 079225 [1,1,0,0,0,0|0,0,0]=2 362 B7R0.2 COC(=O)C[C@H](C)O 208678 [1,1,0,0,0,0|0,0,0]=2 363 B7R0.2 COC(=O)\C=C(\C)N 078507 [1,1,0,0,0,0|0,0,2]=4 364 B7R0.5 C=C(C)C(=O)OCC 098938 [1,1,0,0,0,0|2,0,0]=4 365 B7R0.5 CCCC(=O)C(C)=O 099591 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.5 CCOC(=O)C(C)=O 033125 [1,1,0,0,0,0|2,0,0]=4 367 B7R0.5 CCOC(=O)C(C)Br 006095 [1,1,0,0,0,0|2,0,0]=4 368 B7R0.5 CCOC(=O)C(C)C 094936 [1,1,0,0,0,0|2,0,0]=4 369 B7R0.5 CCOC(=O)C(C)Cl 098895 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.5 CCOC(=O)C(C)F 038173 [1,1,0,0,0,0|2,0,0]=4 371 B7R0.5 CCOC(=O)C(C)N 003681 [1,1,0,0,0,0|2,0,0]=4 372 B7R0.5 CCOC(=O)C(C)S 101529 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.5 CCOC(=O)[C@H](C)N 003682 [1,1,0,0,0,0|2,0,0]=4 374 B7R0.5 CCOC(=O)[C@H](C)O 095008 [1,1,0,0,0,0|2,0,0]=4 375 B7R0.5 CN(C)C(=O)CCCl 310539 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.7 C=COC(=O)CCC 005032 [1,1,0,0,0,0|0,0,1]=3 377 B7R0.7 CC#CC(=O)OCC 095163 [1,1,0,0,0,0|0,0,2]=4 378 B7R0.7 CCNC(=O)OCC 106284 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.7 CCOC(=O)CC#N 022111 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.7 CCOC(=O)CCBr 225998 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.7 CCOC(=O)CCI 078702 [1,1,0,0,0,0|1,0,0]=3 382 B7R0.7 CCOC(=O)CCN 002479 [1,1,0,0,0,0|1,0,0]=3 383 B7R0.7 CCOC(=O)CNC 221430 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.7 CCOC(=O)CNN 067177 [1,1,0,0,0,0|2,0,0]=4 385 B7R0.7 CCOC(=O)COC 013938 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.7 CCOC(=O)CSC 449224 [1,1,0,0,0,0|1,0,0]=3 387 B7R0.7 CCOC(=O)OCC 094694 [1,1,0,0,0,0|1,0,0]=3 388 B7R0.7 CCOS(=O)OCC 099079 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.7 CCO[PH](=O)OCC 094551 [1,1,0,0,0,0|2,0,0]=4 390 B7R0.7 C\C=C\C(=O)OCC 098555 [1,1,0,0,0,0|0,0,2]=4 391 B7R0.7 [C-]#[N+]CC(=O)OCC 358365 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.10 C=C(CBr)C(=O)OC 092639 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.10 C=C(CO)C(=O)OC 092849 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.10 CCC(=O)C(=O)CC 464571 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.10 CCC(Br)C(=O)OC 006777 [1,1,0,0,0,0|0,0,0]=2 396 B7R0.10 CCC(C)C(=O)NC 102997 [1,1,0,0,0,0|1,0,0]=3 397 B7R0.10 CCC(C)C(=O)OC 035885 [1,1,0,0,0,0|0,0,0]=2 398 B7R0.10 CCC(N)C(=O)OC 241817 [1,1,0,0,0,0|0,0,0]=2 399 B7R0.10 COC(=O)C(=O)CBr 214615 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.10 COC(=O)C(=O)OC 094727 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [1,1,0,0,0,0|1,0,0]=3 402 B7R0.10 COC(=O)[C@@H](N)CCl 390254 [1,1,0,0,0,0|1,0,0]=3 403 B7R0.10 COC(=O)[C@@H](N)CO M03012 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.10 COC(=O)[C@@H](N)CS 045338 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.10 COC(=O)[C@@H](O)CO 078180 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.10 COC(=O)[C@H](C)CBr 104234 [1,1,0,0,0,0|1,0,0]=3 407 B7R0.10 COC(=O)[C@H](N)CO 045371 [1,1,0,0,0,0|1,0,0]=3 408 B7R0.10 C\C=C(/C)C(=O)OC 099352 [1,1,0,0,0,0|0,0,2]=4 409 B7R0.4 C#CCCCC(=O)O 145705 [1,1,0,0,0,0|0,0,1]=3 410 B7R0.4 C=CCCCC(=O)O 200742 [1,1,0,0,0,0|0,0,1]=3 411 B7R0.4 C=CCNCC(=O)O 040171 [1,1,0,0,0,0|0,0,2]=4 412 B7R0.4 CC(=O)CCCC#N 095045 [1,1,0,0,0,0|0,0,1]=3 413 B7R0.4 CC(=O)CCCCCl 240931 [1,1,0,0,0,0|0,0,0]=2 414 B7R0.4 CC(=S)OCCCCl 102394 [1,1,0,0,0,0|1,1,0]=4 415 B7R0.4 CCCC#CC(=O)O 145700 [1,1,0,0,0,0|0,0,1]=3 416 B7R0.4 CCCCCB(O)O 208660 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.4 CCCCCC(=O)Cl 099325 [1,1,0,0,0,0|1,0,0]=3 418 B7R0.4 CCCCCC(=O)O 066626 [1,1,0,0,0,0|0,0,0]=2 419 B7R0.4 CCCCCC(C)=O 104307 [1,1,0,0,0,0|0,0,0]=2 420 B7R0.4 CCCCCC(C)O 235688 [1,1,0,0,0,0|0,0,2]=4 421 B7R0.4 CCCCC[N+](=O)[O-] 106183 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.4 CCCCNC(C)=O 103568 [1,1,0,0,0,0|0,0,0]=2 423 B7R0.4 CCCCNC(N)=S 018343 [1,1,0,0,0,0|1,1,0]=4 424 B7R0.4 CCCCOC(C)=O 098991 [1,1,0,0,0,0|0,0,0]=2 425 B7R0.4 CCCCOC(C)=O 102158 [1,1,0,0,0,0|0,0,0]=2 426 B7R0.4 CCCSCC(=O)O 311047 [1,1,0,0,0,0|0,0,0]=2 427 B7R0.4 CCC\C=C\C(=O)O 002797 [1,1,0,0,0,0|0,0,1]=3 428 B7R0.4 CCNCCN(C)C 402341 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.4 CN(C)CCCCN 019580 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.4 CNCCCN(C)C 065099 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.4 COCCOC(=O)Cl 153600 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.4 NCCCCC(=O)O 226047 [1,1,0,0,0,0|0,0,0]=2 433 B7R0.4 NCCOCC(=O)O 046334 [1,1,0,0,0,0|1,0,0]=3 434 B7R0.4 O=C(Cl)CCCCBr 018324 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.4 O=C(Cl)CCCCCl 013899 [1,1,0,0,0,0|1,0,0]=3 436 B7R0.4 O=C(O)CCCCBr 075266 [1,1,0,0,0,0|0,0,0]=2 437 B7R0.6 CC(=O)CCC(=O)O 079484 [1,1,0,0,0,0|0,0,1]=3 438 B7R0.6 CC(=O)CCC(C)=O 494125 [1,1,0,0,0,0|0,0,1]=3 439 B7R0.6 CC(=O)CCC(C)C 106440 [1,1,0,0,0,0|0,0,0]=2 440 B7R0.6 CC(=O)CCN(C)C 043224 [1,1,0,0,0,0|1,0,0]=3 441 B7R0.6 CC(=O)NCC(=O)O 097974 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.6 CC(=O)NCC(C)C 103683 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.6 CC(=O)OCC(=O)O 228175 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.6 CC(=O)OCC(C)C 095004 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.6 CC(C)COC(=O)Cl 046752 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.6 CC(C)SCC(=O)O 311009 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.6 CC(C)\C=C\C(=O)O 011183 [1,1,0,0,0,0|0,0,2]=4 448 B7R0.6 CC(O)CCC(C)O 241359 [1,1,0,0,0,0|0,0,2]=4 449 B7R0.6 CN(C)CCC(=O)O 046799 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.6 N=C(O)CCC(=O)O 103305 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.6 O=C(O)CCC(=O)O 104604 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.6 O=C(O)CCC(=O)O 239121 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.6 O=C(O)CC[N+](=O)[O-] 035948 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.6 O=C([O-])CCC(=O)O 103570 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.8 CCCCS(=O)(=O)Cl 021387 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.8 CCCCS(N)(=O)=O 034678 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.8 CCCC[Si](C)(C)Cl 005254 [1,1,0,0,0,0|1,1,0]=4 458 B7R0.8 CS(=O)(=O)CCCO 233969 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.8 NCCCP(=O)(O)O 077716 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.8 NCCCS(=O)(=O)O 358464 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.1 CC#CCCCCC 162802 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.1 CCCCC#CCO 144505 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.1 CCCCCCCBr BR1073 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.1 CCCCCCCC 162200 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.1 CCCCCCCCl 106679 [1,1,0,0,0,0|1,0,1]=4 466 B7R0.1 CCCCCCCF 003481 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.1 CCCCCCCI 243077 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.1 CCCCCCCN 099080 [1,1,0,0,0,0|1,0,1]=4 469 B7R0.1 CCCCCCCO 101569 [1,1,0,0,0,0|1,0,1]=4 470 B7R0.1 CCCCCCNC 402340 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.1 CCCCNCCC 099392 [1,1,0,0,0,0|1,0,1]=4 472 B7R0.1 CCCCNCCN 456370 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.1 CCCCNCCO 115900 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.1 CCCCOCCO 349293 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.1 CCCC\C=C\C=O 240980 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.1 CCOCCOCC 098939 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.1 COCCOCCBr 241934 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.1 COCCOCCO 208688 [1,1,0,0,0,0|1,0,1]=4 479 B9R0.4 CCCCC(=O)CC(C)=O 103427 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.5 C=CCCCC(=O)OCC 200032 [0,2,0,0,0,0|0,0,1]=3 481 B9R0.5 CCCCCC(=O)OCC 103045 [0,2,0,0,0,0|0,0,0]=2 482 B9R0.5 CCCCOC(=O)CCS 520900 [0,2,0,0,0,0|1,0,0]=3 483 B9R0.5 CCOC(=O)CCCCBr 078683 [0,2,0,0,0,0|0,0,0]=2 484 B9R0.5 CCOC(=O)CCCCI 103069 [0,2,0,0,0,0|0,0,0]=2 485 B9R0.5 CCOC(=O)CCN=C=S 008967 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.5 CCOC(=O)COCCCl 209431 [0,2,0,0,0,0|1,0,0]=3 487 B9R0.5 CCO\C=C\C(=O)OCC 049964 [0,2,0,0,0,0|0,0,2]=4 488 B9R0.5 CCO\C=C\C(=O)OCC 094821 [0,2,0,0,0,0|0,0,2]=4 489 B9R0.8 CCCCC(Br)C(=O)OC BR1274 [0,2,0,0,0,0|0,0,0]=2 490 B9R0.8 CCCCC(N)C(=O)OC 226410 [0,2,0,0,0,0|0,0,0]=2 491 B9R0.8 COC(=O)C(N)CCSC 003824 [0,2,0,0,0,0|0,0,0]=2 492 B9R0.8 C\C=C(/C)C(=O)OCCC 104244 [0,2,0,0,0,0|2,0,0]=4 493 B9R0.18 CCCCC(=O)CCCC 099000 [0,2,0,0,0,0|1,0,0]=3 494 B9R0.18 CCCCS(=O)CCCC 002969 [0,2,0,0,0,0|2,0,0]=4 495 B9R0.18 CCCC[Sn](=O)CCCC 094481 [0,2,0,0,0,0|2,0,0]=4 496 B9R0.18 CCCOS(=O)OCCC 104333 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.34 CCCC(=O)CC(=O)OC 208939 [0,2,0,0,0,0|0,0,0]=2 498 B9R0.34 CCOC(=O)CC(=O)CBr 076501 [0,2,0,0,0,0|1,0,1]=4 499 B9R0.34 CCOC(=O)CC(=O)CC 018694 [0,2,0,0,0,0|0,0,1]=3 500 B9R0.34 CCOC(=O)C[C@@H](O)CCl 079716 [0,2,0,0,0,0|1,0,0]=3 501 B9R0.34 CCOC(=O)C[C@H](O)CCl 091498 [0,2,0,0,0,0|1,0,0]=3 502 B9R0.34 COCC(=O)CC(=O)OC 033038 [0,2,0,0,0,0|0,0,1]=3 503 B9R0.35 C=CCC(C)C(=O)OCC 104524 [0,2,0,0,0,0|0,0,2]=4 504 B9R0.35 CCCC(Br)C(=O)OCC 236752 [0,2,0,0,0,0|0,0,0]=2 505 B9R0.35 CCOC(=O)C(=O)OCC 094696 [0,2,0,0,0,0|1,0,1]=4 506 B9R0.48 C=C(C)CCC(=O)OCC 521452 [0,2,0,0,0,0|0,0,1]=3 507 B9R0.48 CCOC(=O)CCC(=O)Cl 470799 [0,2,0,0,0,0|1,0,1]=4 508 B9R0.48 CCOC(=O)CCC(C)=O 094793 [0,2,0,0,0,0|0,0,1]=3 509 B9R0.48 CCOC(=O)CCC(N)=O 040133 [0,2,0,0,0,0|1,0,1]=4 510 B9R0.48 CCOC(=O)CNC(C)=O M03018 [0,2,0,0,0,0|1,0,1]=4 511 B9R0.48 CCOC(=O)CNC(C)C 033421 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.23 COC(=O)C(N)CC(C)C 003822 [0,2,0,0,0,0|0,0,0]=2 513 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC M03123 [0,2,0,0,0,0|0,0,0]=2 514 B9R0.27 COC(=O)C(Br)C(=O)OC 103770 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.27 COC(=O)C(C)C(=O)OC 241294 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.27 COC(=O)C(Cl)C(=O)OC 241195 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.27 COC(=O)C(F)C(=O)OC 001555 [0,2,0,0,0,0|1,0,1]=4 518 B9R0.1 COC(=O)CCCC(=O)Cl 013638 [0,2,0,0,0,0|0,0,1]=3 519 B9R0.1 COC(=O)\C=C\CC(C)C 011191 [0,2,0,0,0,0|0,0,1]=3 520 B9R0.24 COC(=O)CCC(=O)OC 094576 [0,2,0,0,0,0|0,0,1]=3 521 B9R0.24 COC(=O)CNC(=O)CN 324290 [0,2,0,0,0,0|1,0,1]=4 522 B9R0.46 CCCCCCC(=O)NN 045793 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.46 COC(=O)CCCCCBr 240729 [0,2,0,0,0,0|0,0,0]=2 524 B9R0.46 COC(=O)CCCCCN 079812 [0,2,0,0,0,0|0,0,0]=2 525 B9R0.47 C=C(C)C(=O)NCCCN 078217 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.47 C=C(C)C(=O)OCCCC 106345 [0,2,0,0,0,0|1,0,0]=3 527 B9R0.47 C=C(C)C(=O)OCCOC 106347 [0,2,0,0,0,0|2,0,0]=4 528 B9R0.3 CCCCC(=O)C(F)(F)F 024907 [0,2,0,0,0,0|2,0,0]=4 529 B9R0.7 C=C(C)C(=O)OCC(C)C 106346 [0,2,0,0,0,0|2,0,0]=4 530 B9R0.7 C=C(C)C(=O)OCC(C)O 235572 [0,2,0,0,0,0|2,0,0]=4 531 B9R0.13 CCCCC(CC)C(=O)Cl 099037 [0,2,0,0,0,0|1,0,1]=4 532 B9R0.13 CCCCC(CC)C(=O)O 358263 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.13 CCCCC(CC)C(=O)[O-] 098870 [0,2,0,0,0,0|1,0,1]=4 534 B9R0.13 CCCCC(CC)C(=O)[O-] 099580 [0,2,0,0,0,0|1,0,1]=4 535 B9R0.13 CCCCC(CC)C(=O)[O-] 106096 [0,2,0,0,0,0|1,0,1]=4 536 B9R0.42 COC(=O)CC(=O)C(C)C 014783 [0,2,0,0,0,0|0,0,1]=3 537 B9R0.42 COC(=O)CC(N)C(=O)O 364234 [0,2,0,0,0,0|1,0,1]=4 538 B9R0.21 COC(=O)CCS(=O)(=O)Cl 240417 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.26 COC(=O)CC(OC)OC 094255 [0,2,0,0,0,0|1,0,0]=3 540 B9R0.22 C=CC(C)(C)CC(=O)OC 208899 [0,2,0,0,0,0|0,0,2]=4 541 B9R0.22 CCC(F)(F)CC(=O)OC 094691 [0,2,0,0,0,0|0,0,0]=2 542 B9R0.22 COC(=O)CC(F)(F)CCl 094545 [0,2,0,0,0,0|1,0,0]=3 543 B7R1.1 COC1=NCCC1 008046 [1,0,0,1,0,0|1,0,0]=3 544 B7R1.1 COC1CCCC1 094844 [1,0,0,1,0,0|1,0,1]=4 545 B7R1.1 COC1CCCC1 106161 [1,0,0,1,0,0|1,0,1]=4 546 B7R1.2 CC1CCC(=O)N1 232918 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.2 CC1CCC(=O)O1 243089 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.2 CC1COC(=O)O1 044922 [1,0,0,1,0,0|1,0,0]=3 549 B7R1.2 C[C@@H]1COC(=O)O1 237778 [1,0,0,1,0,0|1,0,0]=3 550 B7R1.2 O=C1C[C@@H](O)CN1 047704 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.2 O=C1C[C@H](O)CN1 093766 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.2 O=C1OCC(F)O1 098380 [1,0,0,1,0,0|2,0,0]=4 553 B7R1.3 C=C1CCCCC1 238843 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.3 CC1=CCCCC1 098887 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.3 N=C1CCCCN1 437867 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.3 O=C1C=CCCC1 040004 [1,0,0,1,0,0|1,0,1]=4 557 B7R1.3 O=C1CCCCC1 046757 [1,0,0,1,0,0|1,0,0]=3 558 B7R1.3 O=C1CCCCC1 101607 [1,0,0,1,0,0|1,0,0]=3 559 B7R1.3 O=C1CCCCN1 043484 [1,0,0,1,0,0|1,0,0]=3 560 B7R1.3 O=C1CCCCO1 448260 [1,0,0,1,0,0|0,0,0]=2 561 B7R1.3 O=C1CCCNC1 078172 [1,0,0,1,0,0|2,0,0]=4 562 B7R1.3 O=C1CCCOC1 070460 [1,0,0,1,0,0|2,0,0]=4 563 B7R1.3 O=C1CCNCC1 008861 [1,0,0,1,0,0|2,0,0]=4 564 B7R1.3 O=C1CCOCC1 036435 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.3 O=C1CCSCC1 069034 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.3 O=C1CNCCN1 031681 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.3 O=C1COCCN1 038232 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.3 O=C1COCCO1 242965 [1,0,0,1,0,0|1,0,0]=3 569 B7R1.3 O=C1NCCCN1 208604 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.3 OC1CCCCO1 068766 [1,0,0,1,0,0|0,0,2]=4 571 B7R1.4 CC1CCCC1=O 217631 [1,0,0,1,0,0|1,0,0]=3 572 B7R1.4 CC1CCOC1=O 092467 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.4 CN1CCCC1=O 035918 [1,0,0,1,0,0|1,0,0]=3 574 B7R1.4 CN1CCCC1=O 041934 [1,0,0,1,0,0|1,0,0]=3 575 B7R1.4 CN1CCCC1=S 180035 [1,0,0,1,0,0|1,1,0]=4 576 B7R1.4 CN1CCNC1=O 091683 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.22 CNC(=O)C1CC1 527999 [1,0,0,1,0,0|1,0,0]=3 578 B7R1.22 COC(=O)C1CC1 022090 [1,0,0,1,0,0|0,0,0]=2 579 B7R1.22 COC(=O)[C@H]1CO1 225417 [1,0,0,1,0,0|1,0,0]=3 580 B7R1.22 NNC(=O)C1CC1 026730 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.22 O=C(CBr)C1CC1 064670 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.22 [C@@H]1(C(=O)OC)CO1 493582 [1,0,0,1,0,0|1,0,0]=3 583 B7R1.7 CCCCC1CO1 099159 [1,0,0,1,0,0|0,0,2]=4 584 B7R1.14 CC1(O)CCCC1 078752 [1,0,0,1,0,0|0,0,2]=4 585 B7R1.14 O=S1(=O)CCCC1 044698 [1,0,0,1,0,0|1,0,1]=4 586 B7R1.14 O=S1(=O)CCCC1 102836 [1,0,0,1,0,0|1,0,1]=4 587 B7R1.18 CC(=O)C1CCC1 513334 [1,0,0,1,0,0|0,0,0]=2 588 B7R1.18 NC(=O)C1CCC1 243268 [1,0,0,1,0,0|1,0,0]=3 589 B7R1.18 O=C(Cl)C1CCC1 009110 [1,0,0,1,0,0|1,0,0]=3 590 B7R1.18 O=C(O)C1CCC1 003366 [1,0,0,1,0,0|0,0,0]=2 591 B7R1.18 O=C(O)C1CCN1 047646 [1,0,0,1,0,0|1,0,0]=3 592 B7R1.18 O=C(O)C1CNC1 035210 [1,0,0,1,0,0|1,0,0]=3 593 B7R1.18 O=C(O)C1CNC1 040102 [1,0,0,1,0,0|1,0,0]=3 594 B7R1.18 OB(O)C1CCC1 230473 [1,0,0,1,0,0|1,0,1]=4 595 B7R1.20 CC(=O)NC1CC1 103802 [1,0,0,1,0,0|1,0,0]=3 596 B7R1.20 O=C(O)CC1CC1 003710 [1,0,0,1,0,0|0,0,0]=2 597 B7R1.24 C1CCCNCC1 099635 [1,0,0,1,0,0|1,0,1]=4 598 B7R1.24 C1CNCCOC1 043839 [1,0,0,1,0,0|1,0,1]=4 599 B7R1.24 C1CNCCOC1 061573 [1,0,0,1,0,0|1,0,1]=4 600 B9R1.8 CCOC1=NCCCC1 044390 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.8 NCCC1=CCCCC1 233674 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.15 N#CC1CCCCC1=O 023580 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.33 O=C1OCCN1CCO 068996 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.49 CN1CCCC(=O)CC1 069080 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.50 O=C1CCCCCCC1 237170 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.69 CC1CCC(=O)CC1C 474237 [0,1,0,1,0,0|1,0,0]=3 607 B9R1.69 CC1CN(C)CCC1=O 011704 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.73 CCOC(=O)C1CCC1 041921 [0,1,0,1,0,0|0,0,0]=2 609 B9R1.100 CCCNC(=O)C1CC1 238857 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.3 CC1C(=O)CCCC1=O 050104 [0,1,0,1,0,0|1,0,1]=4 611 B9R1.3 CC1CCCC(C)C1=O 493733 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.3 CN1CCCN(C)C1=O 038213 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.3 CN1CCCN(C)C1=O 101866 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.5 NC1CCCCNC1=O 011374 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.5 N[C@@H]1CCCCNC1=O 034333 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.5 N[C@H]1CCCCNC1=O 011373 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.11 CNC(=O)C1CCCC1 370963 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.11 COC(=O)C1CC=CC1 078959 [0,1,0,1,0,0|0,0,1]=3 619 B9R1.11 COC(=O)C1CCCC1 067089 [0,1,0,1,0,0|0,0,0]=2 620 B9R1.11 COC(=O)C1CCCO1 241056 [0,1,0,1,0,0|0,0,0]=2 621 B9R1.11 COC(=O)C1NCCS1 019515 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.11 COC(=O)N1CCCC1 061535 [0,1,0,1,0,0|0,0,0]=2 623 B9R1.11 COC(=O)[C@@H]1CCCN1 M02956 [0,1,0,1,0,0|0,0,0]=2 624 B9R1.11 COC(=O)[C@H]1CCCN1 M06057 [0,1,0,1,0,0|0,0,0]=2 625 B9R1.11 COC(=O)[C@H]1CCNC1 091945 [0,1,0,1,0,0|0,0,0]=2 626 B9R1.11 NCC(=O)N1CCCC1 024983 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.11 O=C(CCl)N1CCCC1 024631 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.37 CC1CC(C)C(=O)C1=O 102672 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.101 COC(=O)C(N)C1CC1 042963 [0,1,0,1,0,0|0,0,0]=2 630 B9R1.1 CCC1CCC(=O)CC1 078867 [0,1,0,1,0,0|1,0,0]=3 631 B9R1.1 CCN1CCC(=O)CC1 044296 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.1 COC1CCC(=O)CC1 043424 [0,1,0,1,0,0|1,0,0]=3 633 B9R1.1 COC1CCC(N)CC1 375043 [0,1,0,1,0,0|1,0,1]=4 634 B9R1.21 COC1CCC(OC)O1 133100 [0,1,0,1,0,0|0,0,2]=4 635 B9R1.89 COC1=NCCCCC1 075009 [0,1,0,1,0,0|1,0,0]=3 636 B9R1.35 CC(C)[C@@H]1COC(=O)N1 092262 [0,1,0,1,0,0|1,0,0]=3 637 B9R1.35 CC(C)[C@H]1COC(=O)N1 208760 [0,1,0,1,0,0|1,0,0]=3 638 B9R1.40 CC1(C)CCCCC1=O 049771 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.10 CC1(C)C=CC(=O)CC1 013544 [0,1,0,1,0,0|1,0,1]=4 640 B9R1.10 CC1(C)CCC(=O)CC1 077611 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.10 CC1(C)COC(=O)OC1 341785 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.10 O=C1CCC(F)(F)CC1 044463 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.138 CN1C(=O)OCC1(C)C 095043 [0,1,0,1,0,0|2,0,0]=4 644 B9R2.39 O=C1CC2CCC1C2 463393 [0,0,0,2,0,0|1,0,0]=3 645 B9R2.109 O=C1CCCC2OC12 329460 [0,0,0,2,0,0|2,0,0]=4