0 B7R0.1 BrCCCCCCBr HR134505 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCCCCC#C HR143919 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 C#CCCCCCO HR13080 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C=CCCCCCBr HR101918 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.1 C=CCCCCCCl HR110714 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 C=CCCCCNC HR139130 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 C=CCOCCCC HR129962 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 C=CCSSCCC HR124235 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 C=COCCCCO HR134521 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 CCCCC#CCO HR136816 [0,0,0,0,0,0|0,0,4]=4 10 B7R0.1 CCCCCCCBr HR134594 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.1 CCCCCCCCl HR120915 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.1 CCCCCCCI HR126873 [0,0,0,0,0,0|1,0,1]=2 13 B7R0.1 CCCCCCCO HR135329 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.1 CCCCCCCS HR126629 [0,0,0,0,0,0|0,1,1]=2 15 B7R0.1 CCCCCC[Mg]Br HR108941 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.1 CCCCCC[Mg]Cl HR110838 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 CCCCCN=C=O HR115565 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.1 CCCCNCCO HR101726 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.1 CCCCOCCCl HR133392 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.1 CCCC\C=C\C=O HR129000 [0,0,0,0,0,0|0,0,2]=2 21 B7R0.1 CCCNCCCN HR100474 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.1 CCCNCCOC HR103597 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.1 CCCSSCCC HR122302 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 CCOCCCCCl HR130559 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.1 CC\C=C\C=C\C=O HR130022 [0,0,0,0,0,0|0,0,4]=4 26 B7R0.1 CC\C=C\CCCC HR100327 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.1 CC\C=C\CCCO HR144605 [0,0,0,0,0,0|0,0,4]=4 28 B7R0.1 COCCOCCBr HR125362 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 COCCOCCO HR127002 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.1 CSCCCN=C=S HR125806 [0,0,0,0,0,0|2,1,1]=4 31 B7R0.1 ClCCCCCCBr HR126311 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.1 ClCCCCCCCl HR135348 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.1 FCCCCCCBr HR144938 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.1 N#CCCCCCBr HR113799 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.1 NCCCCCCN HR128708 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.1 NCCCCCCO HR113176 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.1 NCCCNCCBr HR146740 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.1 NCCCNCCN HR144708 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 NCCCNCCO HR135493 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.1 O=CCCCCC=O HR122196 [0,0,0,0,0,0|1,0,1]=2 41 B7R0.1 O=COCCOC=O HR101581 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.1 OCCCCCCBr HR132457 [0,0,0,0,0,0|1,0,2]=3 43 B7R0.1 OCCCCCCCl HR127389 [0,0,0,0,0,0|1,0,2]=3 44 B7R0.1 OCCCCCCO HR126915 [0,0,0,0,0,0|1,0,2]=3 45 B7R0.1 OCCCCCCS HR108497 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.1 SCCCCCCS HR125411 [0,0,0,0,0,0|1,1,1]=3 47 B6R0.6 BrCCCCCBr BEJL02301 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.6 BrCCNCCBr HR147578 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.6 BrCCOCCBr HR134391 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 C#CCCCC=O VIJL03309 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.6 C#CCCCCO HR141440 [1,0,0,0,0,0|0,0,3]=4 52 B6R0.6 C=CCCCC#N HR140662 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.6 C=CCCCCBr HR137464 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 C=CCCCCCl HR113553 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.6 C=CCCCCN HR143196 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.6 C=CCCCCO HR120838 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.6 C=CCOCCO HR133981 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 C=CCSCCC HR130566 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.6 C=CCSSCC HR131362 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 C=COCCCC PAJB01004 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.6 CCCC#CCO HR100925 [1,0,0,0,0,0|0,0,3]=4 62 B6R0.6 CCCCCCI HR101787 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.6 CCCCCCO HR108609 [1,0,0,0,0,0|0,0,1]=2 64 B6R0.6 CCCCCCO HR127298 [1,0,0,0,0,0|0,0,1]=2 65 B6R0.6 CCCCCC[SiH3] HR107072 [1,0,0,0,0,0|0,1,0]=2 66 B6R0.6 CCCCCNC HR128731 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.6 CCCCC[Mg]Br HR116206 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.6 CCCCC[Mg]Cl HR115571 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.6 CCCCN=C=S HR144405 [1,0,0,0,0,0|1,1,1]=4 70 B6R0.6 CCCCNCC HR125662 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.6 CCCCOCCl HR132357 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.6 CCCCSC#N HR137924 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.6 CCCCS[SnH]=O HR100704 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.6 CCCC[Mg]CC HR115887 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.6 CCCOCCCl HR126380 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.6 CCCOCCO HR123698 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.6 CCCSSCC HR130845 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 CCC\C=C\C=O HR127670 [1,0,0,0,0,0|0,0,2]=3 79 B6R0.6 CCC\C=C\CO HR127397 [1,0,0,0,0,0|0,0,3]=4 80 B6R0.6 CCNCCCN HR100502 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.6 CCOCCC#N HR132950 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.6 CCOCCCCl HR124824 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.6 CCOCCCN HR100101 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.6 CCOCCCO HR128209 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.6 CCOCOCC HR147607 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.6 CC\C=C\CCO HR100849 [1,0,0,0,0,0|0,0,3]=4 87 B6R0.6 CC\C=C\CCO HR130305 [1,0,0,0,0,0|0,0,3]=4 88 B6R0.6 CNCCCNC HR133916 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.6 COCCCCBr HR131929 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.6 COCCCCCl HR130420 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.6 COCCCCN HR141637 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.6 COCCCCO HR129257 [1,0,0,0,0,0|1,0,1]=3 93 B6R0.6 COCCCOC HR127938 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.6 COCCOCCl HR126799 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.6 C\C=C\CCCC HR145495 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.6 C\C=C\CCCO HR110400 [1,0,0,0,0,0|0,0,3]=4 97 B6R0.6 C\C=C\CCCO HR111291 [1,0,0,0,0,0|0,0,3]=4 98 B6R0.6 ClCCCCCBr HR125269 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.6 ClCCNCCCl HR127646 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.6 FCCCCCBr HR120213 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.6 N#CCCCCBr HR114079 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.6 N#CCCCCCl HR122521 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.6 NCCCCCN HR146969 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.6 NCCCCCO HR139094 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.6 NCCNCCO HR129715 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.6 NCCOCCN HR105600 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.6 NCCSCCO HR131001 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 O=C=NCCCCl HR108117 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.6 O=CCCCC=O HR141217 [1,0,0,0,0,0|1,0,1]=3 110 B6R0.6 O=CCCCCCl HR119509 [1,0,0,0,0,0|1,0,0]=2 111 B6R0.6 O=CCCCCO HR116282 [1,0,0,0,0,0|1,0,0]=2 112 B6R0.6 O=CCOCCO HR117228 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.6 OCCCCCBr HR102868 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.6 OCCCCCCl HR134047 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.6 OCCCCCO HR136505 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.6 OCCOCCCl HR126550 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.6 OCCOCCO HR128647 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.6 OCCSCCO HR124597 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.6 SCCCCCS HR128025 [1,0,0,0,0,0|1,1,0]=3 120 B6R0.6 SCCSCCS HR130413 [1,0,0,0,0,0|2,1,0]=4 121 B6R0.6 [Li]CCCCCC HR142102 [1,0,0,0,0,0|1,0,0]=2 122 B8R0.1 CCCCC(Br)CCC HR120549 [0,1,0,0,0,0|1,0,1]=3 123 B8R0.1 CCOC(=O)CNC=O HR110895 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.1 C\C=C\C(=O)CCCC HR108746 [0,1,0,0,0,0|1,0,2]=4 125 B8R0.4 BrCCCCCCCBr HR125880 [0,1,0,0,0,0|1,0,1]=3 126 B8R0.4 C=CCCCCCCBr HR134817 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.4 C=COCCOCCO HR122125 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.4 CCCCC#CCCO HR123774 [0,1,0,0,0,0|0,0,3]=4 129 B8R0.4 CCCCCC#CCO HR100166 [0,1,0,0,0,0|0,0,3]=4 130 B8R0.4 CCCCCCCC=O HR138555 [0,1,0,0,0,0|0,0,0]=1 131 B8R0.4 CCCCCCCCBr HR138347 [0,1,0,0,0,0|1,0,1]=3 132 B8R0.4 CCCCCCCCC HR133812 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.4 CCCCCCCCCl HR138099 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.4 CCCCCCCCI HR131564 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.4 CCCCCCCCN HR100583 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.4 CCCCCCCCN HR125500 [0,1,0,0,0,0|1,0,1]=3 137 B8R0.4 CCCCCCCCO HR101140 [0,1,0,0,0,0|0,0,2]=3 138 B8R0.4 CCCCCCCCO HR127849 [0,1,0,0,0,0|0,0,2]=3 139 B8R0.4 CCCCCCC[Mg]Br HR105771 [0,1,0,0,0,0|1,0,1]=3 140 B8R0.4 CCCCCCN=C=O HR113788 [0,1,0,0,0,0|0,0,1]=2 141 B8R0.4 CCCCC\C=C\C=O HR133342 [0,1,0,0,0,0|0,0,1]=2 142 B8R0.4 CCCCNCCCC HR147605 [0,1,0,0,0,0|1,0,1]=3 143 B8R0.4 CCCCOCCC#N HR108305 [0,1,0,0,0,0|1,0,1]=3 144 B8R0.4 CCCCOCCCN HR134450 [0,1,0,0,0,0|1,0,1]=3 145 B8R0.4 CCCCSCCCC HR138897 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.4 CCCC[SnH4+2]CCCC HR126830 [0,1,0,0,0,0|1,0,1]=3 147 B8R0.4 CCCC[SnH4+2]CCCC HR135636 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.4 CCCOCCCCCl HR130297 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.4 CCCOCOCCC HR140907 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.4 CCC\C=C\C=C\C=O HR129261 [0,1,0,0,0,0|0,0,3]=4 151 B8R0.4 CCC\C=C\C=C\C=O HR144535 [0,1,0,0,0,0|0,0,3]=4 152 B8R0.4 CCC\C=C\CCCC HR142398 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.4 CCOCCCOCC HR107801 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.4 CCOCCOCCBr HR105165 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.4 CCOCCOCCO HR129783 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.4 CC\C=C\CCCCO HR143941 [0,1,0,0,0,0|0,0,3]=4 157 B8R0.4 CC\C=C\CCOC=O HR127818 [0,1,0,0,0,0|0,0,2]=3 158 B8R0.4 COCCNCCOC HR115094 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.4 COCCOCCCN HR141025 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.4 COCCOCCOC HR130221 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.4 N#CCCCCCCBr HR128193 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.4 NCCCCCCCN HR141980 [0,1,0,0,0,0|1,0,1]=3 163 B8R0.4 NCCCCNCCO HR116966 [0,1,0,0,0,0|1,0,2]=4 164 B8R0.4 OCCCCCCCBr HR134819 [0,1,0,0,0,0|0,0,2]=3 165 B8R0.4 OCCCCCCCO HR11489 [0,1,0,0,0,0|0,0,2]=3 166 B8R0.6 C#CC(O)CCCCC HR131985 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.6 C=CC(=O)CCCCC HR128010 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.6 C=CC(O)CCCCC HR133074 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.6 CCC(C)CCCCO HR119961 [0,1,0,0,0,0|0,0,2]=3 170 B8R0.6 CCCCCC(=O)CI HR120235 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.6 CCCCCC(=O)SC HR105293 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.6 CCCCCC(O)CC HR112896 [0,1,0,0,0,0|1,0,1]=3 173 B8R0.6 CCCCCC(O)CC HR113840 [0,1,0,0,0,0|1,0,1]=3 174 B8R0.6 OCCCCC(O)CO HR123795 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.7 C#CCCCCC(=O)O HR102532 [0,1,0,0,0,0|0,0,2]=3 176 B8R0.7 C=CCCCOC(C)=O HR143247 [0,1,0,0,0,0|1,0,2]=4 177 B8R0.7 CC(=O)NCCCCN HR118654 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.7 CC(=O)OCCCCBr HR131090 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.7 CC(=O)OCCCCCl HR122635 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.7 CC(C)CCCCCO HR101450 [0,1,0,0,0,0|0,0,2]=3 181 B8R0.7 CC(C)CCCCCO HR144906 [0,1,0,0,0,0|0,0,2]=3 182 B8R0.7 CC(C)NCCCCO HR143381 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.7 CCCCCCB(O)O HR124554 [0,1,0,0,0,0|1,0,1]=3 184 B8R0.7 CCCCCCC(=O)Cl HR135566 [0,1,0,0,0,0|0,0,0]=1 185 B8R0.7 CCCCCCC(=O)[O-] HR123614 [0,1,0,0,0,0|0,0,0]=1 186 B8R0.7 CCCCCCC(C)=O HR138624 [0,1,0,0,0,0|0,0,0]=1 187 B8R0.7 CCCCCCC(C)Br HR126862 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.7 CCCCCCC(C)N HR132596 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.7 CCCCCCC(C)N HR139394 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.7 CCCCCCC(C)O HR125954 [0,1,0,0,0,0|0,0,2]=3 191 B8R0.7 CCCCCCC(C)O HR128561 [0,1,0,0,0,0|0,0,2]=3 192 B8R0.7 CCCCCCC(C)O HR132915 [0,1,0,0,0,0|0,0,2]=3 193 B8R0.7 CCCCCCC(C)O HR133230 [0,1,0,0,0,0|0,0,2]=3 194 B8R0.7 CCCCCCC(C)S HR114461 [0,1,0,0,0,0|0,1,1]=3 195 B8R0.7 CCCCCOC(=O)Cl HR137197 [0,1,0,0,0,0|1,0,0]=2 196 B8R0.7 CCCCOCC(=O)O HR124559 [0,1,0,0,0,0|1,0,0]=2 197 B8R0.7 CCCCOCC(C)O HR132803 [0,1,0,0,0,0|1,0,2]=4 198 B8R0.7 CCOCCOC(=O)Cl HR139845 [0,1,0,0,0,0|2,0,0]=3 199 B8R0.7 COCCOCC(=O)O HR131950 [0,1,0,0,0,0|2,0,0]=3 200 B8R0.7 CSCCCOC(C)=O HR130302 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.7 N=C(N)NCCCCN HR135389 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.7 NCCCCCC(=O)O HR123389 [0,1,0,0,0,0|1,0,0]=2 203 B8R0.7 NCCCCCC(=O)O HR140316 [0,1,0,0,0,0|1,0,0]=2 204 B8R0.7 O=C(Cl)CCCCCBr HR130949 [0,1,0,0,0,0|1,0,0]=2 205 B8R0.7 O=C(Cl)CCCCCCl HR101723 [0,1,0,0,0,0|1,0,0]=2 206 B8R0.7 O=C(O)CCCCCBr HR131936 [0,1,0,0,0,0|1,0,0]=2 207 B8R0.7 O=C(O)CCCCCCl HR131336 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.2 BrCC1CCCCC1 EMSA06908 [0,0,0,1,0,0|1,0,1]=3 209 B8R1.2 BrCC1CCCOC1 HR115291 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.2 BrCC1CCNCC1 HR149183 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.2 BrCC1CCOCC1 HR129098 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.2 Br[Mg]C1CCCCC1 HR107341 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.2 C#CC1CCCCC1 HR120227 [0,0,0,1,0,0|1,0,1]=3 214 B8R1.2 C#CC1CCCCN1 HR117402 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.2 C#CC1CCCNC1 HR116876 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.2 C=CC1CCCCC1 HR131133 [0,0,0,1,0,0|1,0,0]=2 217 B8R1.2 C=CC1CNCCO1 HR146087 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.2 C=CC1COCCN1 HR146088 [0,0,0,1,0,0|3,0,0]=4 219 B8R1.2 CCC1CC=CCC1 HR100312 [0,0,0,1,0,0|1,0,1]=3 220 B8R1.2 CCC1CCCCN1 HR101681 [0,0,0,1,0,0|1,0,1]=3 221 B8R1.2 CCC1CCCCN1 HR145962 [0,0,0,1,0,0|1,0,1]=3 222 B8R1.2 CCC1CCCCN1 HR145963 [0,0,0,1,0,0|1,0,1]=3 223 B8R1.2 CCC1CCNCC1 HR101692 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.2 CCC1CNCCN1 HR129402 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.2 CCC1CNCCO1 HR145969 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.2 CCC1CNCCO1 HR145970 [0,0,0,1,0,0|1,0,2]=4 227 B8R1.2 CCC1COCCN1 HR106331 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.2 CCC1COCCN1 HR116773 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.2 CCC1COCCN1 HR145882 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.2 CCC1COCCN1 HR17024 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.2 CCC1COCCN1 HR17027 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.2 CNC1CCCCC1 HR127852 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.2 CNC1CCCNC1 HR134269 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.2 CNC1CCOCC1 HR30275 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.2 COC1CCC=CO1 HR133471 [0,0,0,1,0,0|1,0,2]=4 236 B8R1.2 COC1CCNCC1 HR124062 [0,0,0,1,0,0|3,0,0]=4 237 B8R1.2 FCC1CCCNC1 HR151273 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.2 FCC1CCNCC1 HR151179 [0,0,0,1,0,0|2,0,1]=4 239 B8R1.2 ICC1CCOCC1 HR116556 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.2 N#CC1CCCCC1 DAJL01408 [0,0,0,1,0,0|1,0,1]=3 241 B8R1.2 N#CC1CCCCN1 HR112500 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.2 N#CC1CCCNC1 HR112815 [0,0,0,1,0,0|2,0,1]=4 243 B8R1.2 N#CC1CCNCC1 HR100049 [0,0,0,1,0,0|2,0,1]=4 244 B8R1.2 N#CC1CCNCC1 HR126414 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.2 N#CC1CCOCC1 HR116877 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.2 NCC1CCCCC1 HR20540 [0,0,0,1,0,0|1,0,1]=3 247 B8R1.2 NCC1CCCCN1 HR129658 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.2 NCC1CCCCO1 HR109315 [0,0,0,1,0,0|1,0,2]=4 249 B8R1.2 NCC1CCCNC1 HR125716 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.2 NCC1CCCOC1 HR114654 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.2 NCC1CCCOC1 HR145987 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.2 NCC1CCNCC1 IBCQ00407 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.2 NCC1CCOCC1 HR133329 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.2 NNC1CCCCC1 HR32400 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.2 NNC1CCCCC1 HR32401 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.2 NNC1CCOCC1 HR109284 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.2 NNC1CCOCC1 HR30225 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.2 NOC1CCCCO1 HR123792 [0,0,0,1,0,0|3,0,0]=4 259 B8R1.2 O=CC1=CCCCC1 HR124654 [0,0,0,1,0,0|0,0,2]=3 260 B8R1.2 O=CC1=CCCOC1 HR106218 [0,0,0,1,0,0|1,0,2]=4 261 B8R1.2 O=CC1CCCCC1 HR3082 [0,0,0,1,0,0|0,0,0]=1 262 B8R1.2 O=CC1CCCOC1 HR31996 [0,0,0,1,0,0|1,0,0]=2 263 B8R1.2 O=CC1CCNCC1 HR114883 [0,0,0,1,0,0|1,0,0]=2 264 B8R1.2 O=CC1CCOCC1 IBCQ00409 [0,0,0,1,0,0|1,0,0]=2 265 B8R1.2 O=CC1CNCCN1 HR112721 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.2 O=CN1CCCCC1 HR135142 [0,0,0,1,0,0|1,0,0]=2 267 B8R1.2 O=CN1CCNCC1 HR106743 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.2 O=CN1CCOCC1 HR124705 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.2 OCC1CC=CCC1 HR135429 [0,0,0,1,0,0|2,0,1]=4 270 B8R1.2 OCC1CCC=CO1 HR9703 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.2 OCC1CCCCC1 HR3098 [0,0,0,1,0,0|0,0,2]=3 272 B8R1.2 OCC1CCCCN1 HR129497 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.2 OCC1CCCCN1 HR150905 [0,0,0,1,0,0|1,0,2]=4 274 B8R1.2 OCC1CCCCN1 HR150906 [0,0,0,1,0,0|1,0,2]=4 275 B8R1.2 OCC1CCCCO1 HR9734 [0,0,0,1,0,0|1,0,2]=4 276 B8R1.2 OCC1CCCNC1 HR118055 [0,0,0,1,0,0|1,0,2]=4 277 B8R1.2 OCC1CCCNC1 HR118365 [0,0,0,1,0,0|1,0,2]=4 278 B8R1.2 OCC1CCCNC1 HR125284 [0,0,0,1,0,0|1,0,2]=4 279 B8R1.2 OCC1CCCOC1 HR112012 [0,0,0,1,0,0|1,0,2]=4 280 B8R1.2 OCC1CCNCC1 HR130018 [0,0,0,1,0,0|1,0,2]=4 281 B8R1.2 OCC1CCOCC1 HR131711 [0,0,0,1,0,0|1,0,2]=4 282 B8R1.2 ON=C1CCCCC1 HR136101 [0,0,0,1,0,0|1,0,2]=4 283 B8R1.5 C=C1CCCCC1=C HR100430 [0,0,0,1,0,0|1,0,2]=4 284 B8R1.5 CC1=NCCCN1C HR14029 [0,0,0,1,0,0|3,0,0]=4 285 B8R1.5 CC1CCCCC1=O HR128184 [0,0,0,1,0,0|0,0,0]=1 286 B8R1.5 CC1CCCCC1N HR132700 [0,0,0,1,0,0|1,0,1]=3 287 B8R1.5 CC1CCCCC1O HR10840 [0,0,0,1,0,0|0,0,2]=3 288 B8R1.5 CC1CCCNC1C HR121961 [0,0,0,1,0,0|2,0,1]=4 289 B8R1.5 CC1CNCCC1=O HR102395 [0,0,0,1,0,0|1,0,0]=2 290 B8R1.5 CC1CNCCC1=O HR144741 [0,0,0,1,0,0|1,0,0]=2 291 B8R1.5 CC1COCCC1=O HR108661 [0,0,0,1,0,0|1,0,0]=2 292 B8R1.5 CC1NCCNC1=O HR149053 [0,0,0,1,0,0|2,0,0]=3 293 B8R1.5 CC1OCCNC1=O HR148881 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.5 CN1CCNCC1=O HR121878 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.5 NC1CCCCC1N HR125835 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.5 NC1CCCCC1N HR126059 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.5 NC1CCCCC1N HR126095 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.5 NC1CCCCC1N HR126327 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.5 NC1CCCCC1N HR138678 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.5 NC1CCCCC1O HR105750 [0,0,0,1,0,0|1,0,2]=4 301 B8R1.5 NC1CCCCC1O HR106708 [0,0,0,1,0,0|1,0,2]=4 302 B8R1.5 NC1CCCCC1O HR106746 [0,0,0,1,0,0|1,0,2]=4 303 B8R1.5 NC1CCCCC1O HR108115 [0,0,0,1,0,0|1,0,2]=4 304 B8R1.5 NC1CCCCC1O HR14514 [0,0,0,1,0,0|1,0,2]=4 305 B8R1.5 NC1CCCCC1O HR146109 [0,0,0,1,0,0|1,0,2]=4 306 B8R1.5 NC1CCCCC1O HR146110 [0,0,0,1,0,0|1,0,2]=4 307 B8R1.5 NC1CCCCC1O HR146111 [0,0,0,1,0,0|1,0,2]=4 308 B8R1.5 NC1CCCCC1O HR146112 [0,0,0,1,0,0|1,0,2]=4 309 B8R1.5 NC1CCCCC1O HR148126 [0,0,0,1,0,0|1,0,2]=4 310 B8R1.5 NC1CCCNC1=O HR103141 [0,0,0,1,0,0|2,0,0]=3 311 B8R1.5 NC1CCCNC1=O HR109690 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.5 NC1CCCNC1=O HR143772 [0,0,0,1,0,0|2,0,0]=3 313 B8R1.5 NN1CCCCC1=O HR128047 [0,0,0,1,0,0|2,0,0]=3 314 B8R1.5 O=C1CCCCC1=O HR133849 [0,0,0,1,0,0|1,0,1]=3 315 B8R1.5 O=C1CCCCC1Br HR121776 [0,0,0,1,0,0|1,0,0]=2 316 B8R1.5 O=C1CCCCC1Cl HR133138 [0,0,0,1,0,0|1,0,0]=2 317 B8R1.5 O=C1CCCCC1F HR150360 [0,0,0,1,0,0|1,0,0]=2 318 B8R1.5 O=C1CCNCC1Br HR118186 [0,0,0,1,0,0|2,0,0]=3 319 B8R1.5 O=C1CCNCC1F HR115169 [0,0,0,1,0,0|2,0,0]=3 320 B8R1.5 O=C1CCNCC1F HR149775 [0,0,0,1,0,0|2,0,0]=3 321 B8R1.5 O=C1CCOCC1F HR150373 [0,0,0,1,0,0|2,0,0]=3 322 B8R1.5 O=C1NCCCC1F HR149509 [0,0,0,1,0,0|2,0,0]=3 323 B8R1.5 O=C1NCCCC1O HR147038 [0,0,0,1,0,0|2,0,0]=3 324 B8R1.5 OC1CCCCC1Cl HR136648 [0,0,0,1,0,0|1,0,2]=4 325 B8R1.5 OC1CCCCC1O HR136389 [0,0,0,1,0,0|1,0,2]=4 326 B8R1.5 OC1CCCCC1O HR140132 [0,0,0,1,0,0|1,0,2]=4 327 B8R1.8 BrCCN1CCCC1 HR120871 [0,0,0,1,0,0|2,0,1]=4 328 B8R1.8 C#CCN1CCCC1 HR33227 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.8 C#CCN1CCCC1 HR33945 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.8 CCNC1CCNC1 HR121226 [0,0,0,1,0,0|3,0,0]=4 331 B8R1.8 CCNC1CCNC1 HR121540 [0,0,0,1,0,0|3,0,0]=4 332 B8R1.8 COCC1CCCN1 HR112924 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.8 COCC1CCCN1 HR118289 [0,0,0,1,0,0|2,0,1]=4 334 B8R1.8 ClCCN1CCCC1 HR132966 [0,0,0,1,0,0|2,0,1]=4 335 B8R1.8 ClCCN1CCCC1 HR144838 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.8 N#CCC1CCCO1 HR147198 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.8 NCCC1CCCC1 HR111513 [0,0,0,1,0,0|1,0,1]=3 338 B8R1.8 NCCC1CCCC1 HR146891 [0,0,0,1,0,0|1,0,1]=3 339 B8R1.8 NCCN1CCCC1 CEJL01604 [0,0,0,1,0,0|2,0,1]=4 340 B8R1.8 O=C=NC1CCCC1 HR120079 [0,0,0,1,0,0|1,0,1]=3 341 B8R1.8 OCCC1CCCC1 HR111073 [0,0,0,1,0,0|0,0,2]=3 342 B8R1.8 OCCC1CCCN1 HR100505 [0,0,0,1,0,0|1,0,2]=4 343 B8R1.8 OCCC1CCNC1 HR146149 [0,0,0,1,0,0|1,0,2]=4 344 B8R1.8 OCCC1CCNC1 HR146150 [0,0,0,1,0,0|1,0,2]=4 345 B8R1.8 OCCC1CCNC1 HR146151 [0,0,0,1,0,0|1,0,2]=4 346 B8R1.8 OCCN1CCCC1 HR132675 [0,0,0,1,0,0|1,0,2]=4 347 B8R1.11 C=CN1CCCC1=O HR130278 [0,0,0,1,0,0|1,0,2]=4 348 B8R1.11 C=CN1CCCC1=O HR131788 [0,0,0,1,0,0|1,0,2]=4 349 B8R1.11 CCN1CCCC1=O HR134739 [0,0,0,1,0,0|1,0,0]=2 350 B8R1.11 CN1CCCC1CO HR103689 [0,0,0,1,0,0|1,0,2]=4 351 B8R1.11 CN1CCCC1CO HR123222 [0,0,0,1,0,0|1,0,2]=4 352 B8R1.11 CN1CCCC1CO HR137677 [0,0,0,1,0,0|1,0,2]=4 353 B8R1.11 N#CC1CCCC1=O HR126764 [0,0,0,1,0,0|1,0,1]=3 354 B8R1.11 N#CC1CSCC1=O HR107418 [0,0,0,1,0,0|2,0,1]=4 355 B8R1.11 NC1CCCC1CO HR120947 [0,0,0,1,0,0|1,0,2]=4 356 B8R1.11 NCC1CCCC1N HR142288 [0,0,0,1,0,0|2,0,1]=4 357 B8R1.12 NCC1CCC1CN HR130006 [0,0,0,1,0,0|2,0,1]=4 358 B8R1.22 BrC1CCCCCC1 HR128104 [0,0,0,1,0,0|1,0,1]=3 359 B8R1.22 CC1CCNCCN1 HR118295 [0,0,0,1,0,0|2,0,1]=4 360 B8R1.22 CC1CNCCCN1 HR110747 [0,0,0,1,0,0|2,0,1]=4 361 B8R1.22 CN1CCCNCC1 HR123758 [0,0,0,1,0,0|3,0,0]=4 362 B8R1.22 NC1CC=CCCC1 HR120578 [0,0,0,1,0,0|2,0,1]=4 363 B8R1.22 NC1CCCCNC1 HR141733 [0,0,0,1,0,0|2,0,1]=4 364 B8R1.22 NC1CCCCNC1 HR146551 [0,0,0,1,0,0|2,0,1]=4 365 B8R1.22 NC1CCCOCC1 HR105429 [0,0,0,1,0,0|2,0,1]=4 366 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,0,1,0,0|0,0,2]=3 367 B8R1.22 O=C1CCCCCN1 HR129512 [0,0,0,1,0,0|1,0,0]=2 368 B8R1.22 O=C1CCCCCO1 HR107144 [0,0,0,1,0,0|1,0,0]=2 369 B8R1.22 O=C1CCCCCO1 HR120205 [0,0,0,1,0,0|1,0,0]=2 370 B8R1.22 O=C1CCCNCC1 HR107777 [0,0,0,1,0,0|1,0,0]=2 371 B8R1.22 O=C1CCCNCC1 HR136701 [0,0,0,1,0,0|1,0,0]=2 372 B8R1.22 O=C1CCNCCN1 HR101958 [0,0,0,1,0,0|2,0,0]=3 373 B8R1.22 O=C1CCNCCN1 HR113359 [0,0,0,1,0,0|2,0,0]=3 374 B8R1.22 OC1CCCCCC1 HR122711 [0,0,0,1,0,0|0,0,2]=3 375 B8R1.22 OC1CCCNCC1 HR110756 [0,0,0,1,0,0|1,0,2]=4 376 B8R1.36 BrCCCCC1CO1 HR120937 [0,0,0,1,0,0|1,0,2]=4 377 B8R1.36 CCCCCC1CO1 HR111230 [0,0,0,1,0,0|0,0,2]=3 378 B8R1.36 CCCCCC1CO1 HR111540 [0,0,0,1,0,0|0,0,2]=3 379 B8R1.36 CCCNCC1CC1 HR137512 [0,0,0,1,0,0|2,0,1]=4 380 B8R1.49 C1=CCCC=CCC1 HR106080 [0,0,0,1,0,0|1,0,2]=4 381 B8R1.49 C1=CCCC=CCC1 HR106857 [0,0,0,1,0,0|1,0,2]=4 382 B8R1.49 C1=CCCC=CCC1 HR107557 [0,0,0,1,0,0|1,0,2]=4 383 B8R1.49 C1=CCCC=CCC1 HR119511 [0,0,0,1,0,0|1,0,2]=4 384 B8R1.49 C1=CCCC=CCC1 HR120534 [0,0,0,1,0,0|1,0,2]=4 385 B8R1.49 C1=CCCC=CCC1 HR126489 [0,0,0,1,0,0|1,0,2]=4 386 B8R1.49 C1=CCCC=CCC1 HR127023 [0,0,0,1,0,0|1,0,2]=4 387 B8R1.49 C1=CCCC=CCC1 HR127502 [0,0,0,1,0,0|1,0,2]=4 388 B8R1.49 C1=CCCC=CCC1 HR132834 [0,0,0,1,0,0|1,0,2]=4 389 B8R1.49 C1=CCCC=CCC1 HR134129 [0,0,0,1,0,0|1,0,2]=4 390 B8R1.49 C1=CCCC=CCC1 HR139211 [0,0,0,1,0,0|1,0,2]=4 391 B8R1.49 C1=CCCC=CCC1 HR142018 [0,0,0,1,0,0|1,0,2]=4 392 B8R1.49 C1CCCNCCC1 HR126895 [0,0,0,1,0,0|1,0,1]=3 393 B8R1.49 C1CNCCCNC1 HR114223 [0,0,0,1,0,0|2,0,1]=4 394 B5R0.2 BrCCCCBr HR135783 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.2 C=CCCCBr HR138516 [2,0,0,0,0,0|1,0,1]=4 396 B5R0.2 C=CCCCN HR114551 [2,0,0,0,0,0|1,0,1]=4 397 B5R0.2 C=CCCCO HR127694 [2,0,0,0,0,0|1,0,1]=4 398 B5R0.2 C=COCCC HR122922 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.2 CCCCSC HR128739 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.2 CCCC[Mg]Cl HR114410 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.2 CCCNCC HR129859 [2,0,0,0,0,0|1,0,0]=3 402 B5R0.2 CCCSCC HR131098 [2,0,0,0,0,0|1,0,0]=3 403 B5R0.2 CCCSSC HR127587 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.2 CCNCCN HR124923 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.2 CCNCCO HR131326 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.2 CCOCCBr HR147270 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.2 CCOCCCl HR125621 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.2 CCOCCN HR133098 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.2 CCOCCN HR141597 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.2 CCSCCCl HR138028 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.2 CCSSCC HR137639 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.2 CC[Se][Se]CC HR102291 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.2 CC\C=C\C=O HR111713 [2,0,0,0,0,0|0,0,2]=4 414 B5R0.2 CC\C=C\C=O HR139459 [2,0,0,0,0,0|0,0,2]=4 415 B5R0.2 CNCCCN HR127543 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.2 CNCCNC HR134870 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.2 COCCCBr HR11240 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.2 COCCCCl HR128474 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.2 COCCCN HR131273 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.2 COCCCO HR1936 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.2 COCCOC HR147135 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.2 CSCCCCl HR118093 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.2 C\C=C\CCC HR121014 [2,0,0,0,0,0|0,0,2]=4 424 B5R0.2 ClCCCCBr AZXF00302 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.2 ClCCCCI HR102777 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.2 ICCCCI HR127157 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.2 N#CCCC=O HR111731 [2,0,0,0,0,0|1,0,1]=4 428 B5R0.2 NCCCCBr HR148711 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.2 NCCCCN HR123185 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.2 NCCCCO HR105259 [2,0,0,0,0,0|1,0,1]=4 431 B5R0.2 O=CCCC=O HR100601 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.2 O=COCCO HR145529 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.2 OCCCCCl HR129662 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.2 SCCCCS HR128290 [2,0,0,0,0,0|1,1,0]=4 435 B7R0.3 CC(CN)CCCN HR143541 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.3 CC(CO)CCCO HR145878 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.3 CCC(C)CCCO HR119648 [1,1,0,0,0,0|0,0,1]=3 438 B7R0.3 CCCCC(Br)CBr HR101739 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.3 CCCCC(O)CC HR100535 [1,1,0,0,0,0|0,0,1]=3 440 B7R0.3 CCCCC(O)CO HR100017 [1,1,0,0,0,0|0,0,1]=3 441 B7R0.3 COC(=O)CCC=O HR116651 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.3 CSCCC(N)CO HR124191 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.3 CSCCC(N)CO HR124440 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.3 NCC(Cl)CCCCl HR113602 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.4 C#CCCCC(=O)O HR119998 [1,1,0,0,0,0|0,0,2]=4 446 B7R0.4 C=CCCCC(=O)O HR110118 [1,1,0,0,0,0|0,0,2]=4 447 B7R0.4 CC(=O)CCCCBr HR125447 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.4 CC(=O)CCCCCl HR124124 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.4 CC(=O)OCCCCl HR130837 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.4 CC(C)CCCC=O HR117171 [1,1,0,0,0,0|0,0,0]=2 451 B7R0.4 CC(C)CCCCBr HR119057 [1,1,0,0,0,0|1,0,0]=3 452 B7R0.4 CC(C)CCCCO HR145339 [1,1,0,0,0,0|0,0,1]=3 453 B7R0.4 CC(C)OCCCCl HR125103 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.4 CC(C)OCCCN HR136075 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.4 CC(O)CCCCO HR100920 [1,1,0,0,0,0|0,0,1]=3 456 B7R0.4 CCCCCB(O)O HR142127 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.4 CCCCCC(C)Br HR136114 [1,1,0,0,0,0|0,0,1]=3 458 B7R0.4 CCCCCC(C)O HR113580 [1,1,0,0,0,0|0,0,1]=3 459 B7R0.4 CCCCCC(C)O HR113894 [1,1,0,0,0,0|0,0,1]=3 460 B7R0.4 CCCCCC(C)O HR133526 [1,1,0,0,0,0|0,0,1]=3 461 B7R0.4 CCCCNC(N)=O HR125670 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.4 CCCCOC(N)=O HR123655 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.4 CCCCO[P+](=O)O HR109028 [1,1,0,0,0,0|2,0,0]=4 464 B7R0.4 CCCOCC(C)O HR142954 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.4 CCC\C=C\C(C)=O HR30170 [1,1,0,0,0,0|0,0,2]=4 466 B7R0.4 CC\C=C\CC(=O)O HR109903 [1,1,0,0,0,0|0,0,2]=4 467 B7R0.4 CN(C)CCCCN HR106772 [1,1,0,0,0,0|2,0,0]=4 468 B7R0.4 N#CCCCC(=O)O HR118843 [1,1,0,0,0,0|1,0,1]=4 469 B7R0.4 NC(=O)COCCCl HR115417 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.4 NCCCCC(=O)O HR127046 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.4 NCCCCC(=O)O HR139651 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.4 O=C(Cl)CCCCBr HR138251 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.4 O=C(Cl)CCCCCl HR135830 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.4 O=C(Cl)OCCCCl HR136628 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.4 O=C(O)CCCCBr HR127598 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.4 O=C(O)CCCCCl HR127871 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.4 O=C(O)COCCCl HR100767 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.7 CC(CCO)CCO HR143828 [1,1,0,0,0,0|1,0,1]=4 479 B7R0.7 CCCC(Br)CCC HR101804 [1,1,0,0,0,0|0,0,1]=3 480 B7R0.7 CCCC(C)CCO HR101631 [1,1,0,0,0,0|0,0,1]=3 481 B7R0.7 CCCC(N)CCC HR105135 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.7 CCCC(S)CCO HR131891 [1,1,0,0,0,0|0,0,1]=3 483 B9R0.4 CCCCC(C)CC(=O)O HR107516 [0,2,0,0,0,0|0,0,0]=2 484 B9R0.4 CCOCC(C)OC(C)=O HR111309 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.5 CCCCCC(O)CCC HR100209 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.18 CCCCC(=O)CCCC HR140614 [0,2,0,0,0,0|1,0,1]=4 487 B9R0.18 CCCC[P+](=O)CCCC HR118819 [0,2,0,0,0,0|1,0,1]=4 488 B9R0.34 CCCC(C)CC(C)CC HR100997 [0,2,0,0,0,0|1,0,1]=4 489 B9R0.48 CCOC(=O)CCC(=O)Cl HR129703 [0,2,0,0,0,0|1,0,1]=4 490 B9R0.48 CCOC(=O)CCC(=O)[O-] HR131805 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.48 CCOC(=O)CCC(C)=O HR131025 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.2 CC(=O)OCCCCCBr HR100599 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.2 CC(=O)OCCCCCCl HR101013 [0,2,0,0,0,0|1,0,0]=3 494 B9R0.2 CC(C)CCCCCCO HR100685 [0,2,0,0,0,0|0,0,2]=4 495 B9R0.2 CCCCCCCB(O)O HR112570 [0,2,0,0,0,0|0,0,2]=4 496 B9R0.2 CCCCCCCC(=O)O HR125696 [0,2,0,0,0,0|0,0,0]=2 497 B9R0.2 CCCCCCCC(=O)[O-] HR101315 [0,2,0,0,0,0|0,0,0]=2 498 B9R0.2 CCCCCCCC(=O)[O-] HR130385 [0,2,0,0,0,0|0,0,0]=2 499 B9R0.2 CCCCCCCC(=O)[O-] HR139652 [0,2,0,0,0,0|0,0,0]=2 500 B9R0.2 CCCCCCCC(C)=O HR133915 [0,2,0,0,0,0|0,0,0]=2 501 B9R0.2 CCCCCCCC(C)O HR140839 [0,2,0,0,0,0|0,0,2]=4 502 B9R0.2 CCCCCCOC(=O)Cl HR102112 [0,2,0,0,0,0|0,0,0]=2 503 B9R0.2 CCCCC\C=C\C(C)=O HR136203 [0,2,0,0,0,0|0,0,1]=3 504 B9R0.2 CCC\C=C\COC(C)=O HR112120 [0,2,0,0,0,0|0,0,2]=4 505 B9R0.2 CC\C=C\CCOC(C)=O HR130251 [0,2,0,0,0,0|0,0,2]=4 506 B9R0.2 CN(C)CCCCCCN HR107727 [0,2,0,0,0,0|1,0,1]=4 507 B9R0.2 C[SiH2]CCCCCC(Cl)Cl HR109367 [0,2,0,0,0,0|1,0,1]=4 508 B9R0.2 NCCCCCCC(=O)O HR120322 [0,2,0,0,0,0|0,0,0]=2 509 B9R0.2 NCCCCCCC(=O)O HR132733 [0,2,0,0,0,0|0,0,0]=2 510 B9R0.2 NOCCCCCC(=O)O HR102975 [0,2,0,0,0,0|1,0,0]=3 511 B9R0.2 O=C(O)CCCCCCBr HR122210 [0,2,0,0,0,0|0,0,0]=2 512 B9R0.2 O=C(O)CCCCCCO HR139793 [0,2,0,0,0,0|0,0,0]=2 513 B9R0.45 C#CCCCCCCCC HR139749 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.45 C=CCCCCCCCBr HR120623 [0,2,0,0,0,0|1,0,0]=3 515 B9R0.45 C=CCOCCOCCO HR134248 [0,2,0,0,0,0|2,0,0]=4 516 B9R0.45 CCCCCC#CCCO HR100932 [0,2,0,0,0,0|0,0,2]=4 517 B9R0.45 CCCCCCCCC=O HR129436 [0,2,0,0,0,0|0,0,0]=2 518 B9R0.45 CCCCCCCCCBr HR131831 [0,2,0,0,0,0|1,0,1]=4 519 B9R0.45 CCCCCCCCCI HR142563 [0,2,0,0,0,0|1,0,1]=4 520 B9R0.45 CCCCCCCCCN HR127652 [0,2,0,0,0,0|1,0,1]=4 521 B9R0.45 CCCCCCCCCO HR119697 [0,2,0,0,0,0|0,0,2]=4 522 B9R0.45 CCCCCCCCCO HR129625 [0,2,0,0,0,0|0,0,2]=4 523 B9R0.45 CCCCCCCCCS HR128817 [0,2,0,0,0,0|0,1,1]=4 524 B9R0.45 CCCCCCCCSC HR129003 [0,2,0,0,0,0|0,1,1]=4 525 B9R0.45 CCCCCCCC[Mg]Br HR105143 [0,2,0,0,0,0|1,0,1]=4 526 B9R0.45 CCCCCCCNCC HR104307 [0,2,0,0,0,0|1,0,1]=4 527 B9R0.45 CCCCCCCOC=O HR112750 [0,2,0,0,0,0|0,0,0]=2 528 B9R0.45 CCCCCC\C=C\C=O HR102101 [0,2,0,0,0,0|0,0,0]=2 529 B9R0.45 CCCCCC\C=C\C=O HR125439 [0,2,0,0,0,0|0,0,0]=2 530 B9R0.45 CCCCCC\C=C\CO HR110285 [0,2,0,0,0,0|0,0,1]=3 531 B9R0.45 CCCCC\C=C\CC=O HR101775 [0,2,0,0,0,0|0,0,0]=2 532 B9R0.45 CCCCSSCCCC HR122833 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.45 CCCC\C=C\C=C\C=O HR129759 [0,2,0,0,0,0|0,0,2]=4 534 B9R0.45 CCNCCCCNCC HR104823 [0,2,0,0,0,0|1,0,1]=4 535 B9R0.45 CCOCCOCCOC HR136512 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.45 CC\C=C\CCCCCO HR109963 [0,2,0,0,0,0|0,0,2]=4 537 B9R0.45 CC\C=C\CC\C=C\C=O HR140716 [0,2,0,0,0,0|0,0,2]=4 538 B9R0.45 N#CCCCNCCCN SQSA06501 [0,2,0,0,0,0|1,0,1]=4 539 B9R0.45 NCCCCCCCCN HR126346 [0,2,0,0,0,0|1,0,1]=4 540 B9R0.45 NCCCCNCCCN HR101023 [0,2,0,0,0,0|1,0,1]=4 541 B9R0.45 NCCCCNCCCN HR115574 [0,2,0,0,0,0|1,0,1]=4 542 B9R0.45 OCCCCCCCCBr HR126753 [0,2,0,0,0,0|0,0,2]=4 543 B9R0.45 OCCCCCCCCCl HR122098 [0,2,0,0,0,0|0,0,2]=4 544 B9R0.45 OCCCCCCCCO HR125309 [0,2,0,0,0,0|0,0,2]=4 545 B9R0.45 SCCCCCCCCS HR127749 [0,2,0,0,0,0|0,1,1]=4 546 B9R0.46 C=CC(=O)OCCCCO HR100523 [0,2,0,0,0,0|2,0,0]=4 547 B9R0.46 C=CC(=O)OCCOCC HR128339 [0,2,0,0,0,0|2,0,0]=4 548 B9R0.46 CCC(C)CCCCCO HR119325 [0,2,0,0,0,0|0,0,2]=4 549 B9R0.46 CCC(N)CCNCCO HR116034 [0,2,0,0,0,0|0,0,2]=4 550 B9R0.46 CCCCCCC(=O)CC HR118308 [0,2,0,0,0,0|0,0,0]=2 551 B9R0.46 CCCCCCC(=O)OC HR101427 [0,2,0,0,0,0|0,0,0]=2 552 B9R0.46 CCCCCCC(O)CO HR136174 [0,2,0,0,0,0|0,0,2]=4 553 B9R0.46 CCCCCNC(=N)NN HR140568 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.46 CCCCCOC(=S)S[K] HR130269 [0,2,0,0,0,0|1,1,0]=4 555 B9R0.46 COC(=O)CCCCCBr HR126143 [0,2,0,0,0,0|1,0,0]=3 556 B9R0.46 COC(=O)CCCCCN HR147662 [0,2,0,0,0,0|1,0,0]=3 557 B9R0.1 CC(C)=CCCC(C)C=O HR132705 [0,2,0,0,0,0|0,0,2]=4 558 B9R0.1 CC\C(C)=C/CCC(C)=O HR145625 [0,2,0,0,0,0|0,0,2]=4 559 B9R0.1 COC(=O)CCCC(=O)Cl HR123243 [0,2,0,0,0,0|1,0,1]=4 560 B9R0.1 COC(=O)CCCC(=O)O HR129096 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.1 COC(C)CCOC(=O)Cl HR144813 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.24 CCC(O)CCC(O)CC HR139878 [0,2,0,0,0,0|1,0,1]=4 563 B9R0.47 C=CCCCC(N)C(=O)O HR107176 [0,2,0,0,0,0|0,0,2]=4 564 B9R0.47 CCCCCC(Br)C(=O)Cl HR101141 [0,2,0,0,0,0|0,0,0]=2 565 B9R0.47 CCCCCC(Br)C(=O)O HR100110 [0,2,0,0,0,0|0,0,0]=2 566 B9R0.47 CCCCCC(C)C(=O)O HR134298 [0,2,0,0,0,0|0,0,0]=2 567 B9R0.47 CCCCOC(=O)C(C)=O HR124899 [0,2,0,0,0,0|1,0,1]=4 568 B9R0.47 CCCCOC(C)C(=O)O HR118656 [0,2,0,0,0,0|1,0,0]=3 569 B9R0.47 CCSCCC(N)C(=O)O HR126680 [0,2,0,0,0,0|1,0,0]=3 570 B9R0.47 CCSCCC(N)C(=O)O HR141385 [0,2,0,0,0,0|1,0,0]=3 571 B9R0.47 NC(CSCCO)C(=O)O HR140495 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.47 NC(CSCCO)C(=O)O HR143002 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.47 NCCCCC(N)C(=O)O HR101720 [0,2,0,0,0,0|1,0,0]=3 574 B9R0.47 NCCCCC(N)C(=O)O HR116209 [0,2,0,0,0,0|1,0,0]=3 575 B9R0.47 NCCCCC(N)C(=O)O HR123265 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.47 NCCCCC(N)C(=O)O HR123541 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.47 NCCCCC(N)C(=O)O HR126863 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.47 NCCCCC(N)C(=O)O HR127945 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.47 NCCCCC(N)C(=O)O HR129957 [0,2,0,0,0,0|1,0,0]=3 580 B9R0.47 NCCCCC(N)C(=O)O HR132817 [0,2,0,0,0,0|1,0,0]=3 581 B9R0.47 NCCCCC(N)C(=O)O HR133918 [0,2,0,0,0,0|1,0,0]=3 582 B9R0.47 NCCCCC(N)C(=O)O HR138275 [0,2,0,0,0,0|1,0,0]=3 583 B9R0.47 NCCCCC(N)C(=O)O HR138539 [0,2,0,0,0,0|1,0,0]=3 584 B9R0.47 NCCCCC(N)C(=O)O HR143917 [0,2,0,0,0,0|1,0,0]=3 585 B9R0.47 NCCCCC(N)C(=O)O HR7967 [0,2,0,0,0,0|1,0,0]=3 586 B9R0.50 CCCCCC(CO)CO HR122613 [0,2,0,0,0,0|0,0,2]=4 587 B9R0.38 C=CCCCC[Si](C)(C)Cl HR110413 [0,2,0,0,0,0|1,1,0]=4 588 B9R0.38 CCCCCCC(C)(C)O HR130878 [0,2,0,0,0,0|0,0,2]=4 589 B9R0.38 CCCCCCC(C)(C)S HR130042 [0,2,0,0,0,0|0,1,1]=4 590 B9R0.38 CCCCCCS(=O)(=O)Cl HR141500 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.38 CCCCCCS(=O)(=O)O HR135176 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.38 CCCCCCS(=O)(=O)[O-] HR100388 [0,2,0,0,0,0|1,0,0]=3 593 B9R0.38 CCCCCCS(=O)(=O)[O-] HR123677 [0,2,0,0,0,0|1,0,0]=3 594 B9R0.38 CCCCCOP(=O)(O)O HR104357 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.55 CC(=O)CCCCC(=O)O HR100799 [0,2,0,0,0,0|0,0,1]=3 596 B9R0.55 CC(=O)NCCCC(=O)O HR115016 [0,2,0,0,0,0|1,0,1]=4 597 B9R0.55 CC(C)CCCCC(=O)O HR141572 [0,2,0,0,0,0|0,0,0]=2 598 B9R0.55 CC(C)CCCCC(=O)[O-] HR103452 [0,2,0,0,0,0|0,0,0]=2 599 B9R0.55 CC(C)CCCCC(=O)[O-] HR143901 [0,2,0,0,0,0|0,0,0]=2 600 B9R0.55 O=C(O)CCCCC(=O)O HR127775 [0,2,0,0,0,0|1,0,1]=4 601 B9R0.55 O=C(O)CCCCC(=O)O HR137867 [0,2,0,0,0,0|1,0,1]=4 602 B9R0.55 O=C([O-])CCCCC(=O)[O-] HR101249 [0,2,0,0,0,0|1,0,1]=4 603 B9R0.55 O=C([O-])CCCCC(=O)[O-] HR123189 [0,2,0,0,0,0|1,0,1]=4 604 B7R1.1 BrCC1CCCC1 HR3104 [1,0,0,1,0,0|1,0,0]=3 605 B7R1.1 BrCC1CCCO1 HR129840 [1,0,0,1,0,0|1,0,1]=4 606 B7R1.1 BrCC1CCOC1 HR103769 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.1 Br[Mg]C1CCCC1 HR125805 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.1 C#CC1CCCC1 HR119915 [1,0,0,1,0,0|0,0,2]=4 609 B7R1.1 CCN1CCCC1 HR139662 [1,0,0,1,0,0|1,0,1]=4 610 B7R1.1 COC1CCCC1 HR102853 [1,0,0,1,0,0|1,0,1]=4 611 B7R1.1 ClCC1CCCO1 HR119687 [1,0,0,1,0,0|1,0,1]=4 612 B7R1.1 Cl[Mg]C1CCCC1 HR125549 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.1 NCC1CCCC1 HR113514 [1,0,0,1,0,0|1,0,0]=3 614 B7R1.1 NCC1CCCC1 HR143637 [1,0,0,1,0,0|1,0,0]=3 615 B7R1.1 NCC1CCCN1 HR142418 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.1 NCC1CCCO1 HR130884 [1,0,0,1,0,0|1,0,1]=4 617 B7R1.1 NCC1CCCO1 HR146003 [1,0,0,1,0,0|1,0,1]=4 618 B7R1.1 NCC1CCOC1 HR112138 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.1 NNC1CCCC1 HR137608 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.1 O=CC1CCCC1 HR129057 [1,0,0,1,0,0|0,0,0]=2 621 B7R1.1 O=CC1CCCO1 HR106351 [1,0,0,1,0,0|1,0,0]=3 622 B7R1.1 O=CC1CCOC1 HR111279 [1,0,0,1,0,0|1,0,0]=3 623 B7R1.1 OCC1CCCC1 HR132881 [1,0,0,1,0,0|0,0,1]=3 624 B7R1.1 OCC1CCCN1 HR103019 [1,0,0,1,0,0|1,0,1]=4 625 B7R1.1 OCC1CCCN1 HR127601 [1,0,0,1,0,0|1,0,1]=4 626 B7R1.1 OCC1CCCN1 HR137906 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.1 OCC1CCCO1 HR7086 [1,0,0,1,0,0|1,0,1]=4 628 B7R1.1 OCC1CCNC1 HR102864 [1,0,0,1,0,0|1,0,1]=4 629 B7R1.1 OCC1CCNC1 HR103174 [1,0,0,1,0,0|1,0,1]=4 630 B7R1.1 OCC1CCNC1 HR106887 [1,0,0,1,0,0|1,0,1]=4 631 B7R1.1 OCC1CCNC1 HR120104 [1,0,0,1,0,0|1,0,1]=4 632 B7R1.1 OCC1CCOC1 HR103184 [1,0,0,1,0,0|1,0,1]=4 633 B7R1.1 OCC1CCOC1 HR114642 [1,0,0,1,0,0|1,0,1]=4 634 B7R1.1 OCC1CCOC1 HR114966 [1,0,0,1,0,0|1,0,1]=4 635 B7R1.3 BrC1=CCCCC1 HR156605 [1,0,0,1,0,0|1,0,1]=4 636 B7R1.3 BrC1C=CCCC1 HR103088 [1,0,0,1,0,0|1,0,1]=4 637 B7R1.3 BrC1CCCCC1 HR130726 [1,0,0,1,0,0|1,0,0]=3 638 B7R1.3 BrC1CCCOC1 HR120914 [1,0,0,1,0,0|2,0,0]=4 639 B7R1.3 BrC1CCNCC1 HR9060 [1,0,0,1,0,0|2,0,0]=4 640 B7R1.3 BrC1CCOCC1 HR116270 [1,0,0,1,0,0|2,0,0]=4 641 B7R1.3 C=C1CCNCC1 HR142260 [1,0,0,1,0,0|1,0,1]=4 642 B7R1.3 CC1=CCCCC1 HR143913 [1,0,0,1,0,0|0,0,1]=3 643 B7R1.3 CC1CCCCN1 HR103733 [1,0,0,1,0,0|1,0,0]=3 644 B7R1.3 CC1CCCCN1 HR128173 [1,0,0,1,0,0|1,0,0]=3 645 B7R1.3 CC1CCCCN1 HR149767 [1,0,0,1,0,0|1,0,0]=3 646 B7R1.3 CC1CCCCN1 ROXF00402 [1,0,0,1,0,0|1,0,0]=3 647 B7R1.3 CC1CCCNC1 HR146011 [1,0,0,1,0,0|1,0,1]=4 648 B7R1.3 CC1CNCCN1 HR127903 [1,0,0,1,0,0|2,0,0]=4 649 B7R1.3 CC1CNCCN1 HR128397 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.3 CC1CNCCO1 HR108818 [1,0,0,1,0,0|1,0,1]=4 651 B7R1.3 CC1CNCCO1 HR116772 [1,0,0,1,0,0|1,0,1]=4 652 B7R1.3 CC1CNCCO1 HR145331 [1,0,0,1,0,0|1,0,1]=4 653 B7R1.3 CC1CNCCO1 HR17028 [1,0,0,1,0,0|1,0,1]=4 654 B7R1.3 CC1CNCCO1 HR17029 [1,0,0,1,0,0|1,0,1]=4 655 B7R1.3 CC1COCCN1 HR104376 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.3 CC1COCCN1 HR113604 [1,0,0,1,0,0|2,0,0]=4 657 B7R1.3 CC1COCCN1 HR11363 [1,0,0,1,0,0|2,0,0]=4 658 B7R1.3 CC1COCCN1 HR17226 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.3 CC1COCCN1 HR17244 [1,0,0,1,0,0|2,0,0]=4 660 B7R1.3 CC1OCCCO1 HR144647 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.3 ClC1=CCCCC1 HR129641 [1,0,0,1,0,0|1,0,1]=4 662 B7R1.3 ClC1CCCCC1 HR135558 [1,0,0,1,0,0|1,0,0]=3 663 B7R1.3 ClC1CCCOC1 HR146388 [1,0,0,1,0,0|2,0,0]=4 664 B7R1.3 ClC1CCNCC1 HR101047 [1,0,0,1,0,0|2,0,0]=4 665 B7R1.3 ClC1CCNCC1 HR111254 [1,0,0,1,0,0|2,0,0]=4 666 B7R1.3 ClC1CCOCC1 EDCQ03603 [1,0,0,1,0,0|2,0,0]=4 667 B7R1.3 FC1CCCNC1 HR105776 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.3 FC1CCCNC1 HR151296 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.3 FC1CCNCC1 HR103784 [1,0,0,1,0,0|2,0,0]=4 670 B7R1.3 FC1CCNCC1 HR111399 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.3 IC1CCOCC1 HR108494 [1,0,0,1,0,0|2,0,0]=4 672 B7R1.3 NC1CCCCC1 HR124720 [1,0,0,1,0,0|1,0,0]=3 673 B7R1.3 NC1CCCCC1 HR128823 [1,0,0,1,0,0|1,0,0]=3 674 B7R1.3 NC1CCCCC1 HR144083 [1,0,0,1,0,0|1,0,0]=3 675 B7R1.3 NC1CCCCC1 HR145293 [1,0,0,1,0,0|1,0,0]=3 676 B7R1.3 NC1CCCCN1 HR113207 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.3 NC1CCCNC1 HR112662 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.3 NC1CCCNC1 HR11476 [1,0,0,1,0,0|2,0,0]=4 679 B7R1.3 NC1CCCNC1 HR120946 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.3 NC1CCCNC1 HR134664 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.3 NC1CCCNC1 HR142505 [1,0,0,1,0,0|2,0,0]=4 682 B7R1.3 NC1CCCNC1 HR3013 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.3 NC1CCCOC1 HR101943 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.3 NC1CCCOC1 HR105701 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.3 NC1CCCOC1 HR114985 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.3 NC1CCCOC1 HR121806 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.3 NC1CCNCC1 HR117691 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.3 NC1CCNCC1 HR127718 [1,0,0,1,0,0|2,0,0]=4 689 B7R1.3 NC1CCOCC1 HR113158 [1,0,0,1,0,0|2,0,0]=4 690 B7R1.3 NC1CCOCC1 HR133397 [1,0,0,1,0,0|2,0,0]=4 691 B7R1.3 NC1CCOCC1 HR9558 [1,0,0,1,0,0|2,0,0]=4 692 B7R1.3 NN1CCCCC1 HR126890 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.3 NN1CCCCC1 HR127151 [1,0,0,1,0,0|2,0,0]=4 694 B7R1.3 O=C1C=CCCC1 HR146309 [1,0,0,1,0,0|0,0,2]=4 695 B7R1.3 O=C1CCCCC1 SIJL01002 [1,0,0,1,0,0|0,0,0]=2 696 B7R1.3 O=C1CCCCN1 HR126393 [1,0,0,1,0,0|1,0,0]=3 697 B7R1.3 O=C1CCCCO1 HR128412 [1,0,0,1,0,0|1,0,0]=3 698 B7R1.3 O=C1CCCNC1 HR108093 [1,0,0,1,0,0|1,0,0]=3 699 B7R1.3 O=C1CCCNC1 HR116769 [1,0,0,1,0,0|1,0,0]=3 700 B7R1.3 O=C1CCCOC1 HR104744 [1,0,0,1,0,0|1,0,0]=3 701 B7R1.3 O=C1CCNCC1 CESA03001 [1,0,0,1,0,0|1,0,0]=3 702 B7R1.3 O=C1CCNCC1 HR105315 [1,0,0,1,0,0|1,0,0]=3 703 B7R1.3 O=C1CCNCC1 HR7756 [1,0,0,1,0,0|1,0,0]=3 704 B7R1.3 O=C1CCOCC1 HR9557 [1,0,0,1,0,0|1,0,0]=3 705 B7R1.3 O=C1CCSCC1 HR123861 [1,0,0,1,0,0|1,0,0]=3 706 B7R1.3 O=C1CC[NH2+]CC1 HR127185 [1,0,0,1,0,0|1,0,0]=3 707 B7R1.3 O=C1CNCCN1 HR132423 [1,0,0,1,0,0|2,0,0]=4 708 B7R1.3 O=C1CNCCO1 HR30209 [1,0,0,1,0,0|2,0,0]=4 709 B7R1.3 O=C1COCCN1 HR115059 [1,0,0,1,0,0|2,0,0]=4 710 B7R1.3 O=C1COCCO1 HR127683 [1,0,0,1,0,0|2,0,0]=4 711 B7R1.3 O=C1CSCCN1 HR147732 [1,0,0,1,0,0|2,0,0]=4 712 B7R1.3 O=C1NCCCN1 HR123216 [1,0,0,1,0,0|2,0,0]=4 713 B7R1.3 OC1C=CCCC1 HR108292 [1,0,0,1,0,0|1,0,1]=4 714 B7R1.3 OC1CCCCC1 HR122340 [1,0,0,1,0,0|0,0,1]=3 715 B7R1.3 OC1CCCNC1 HR11310 [1,0,0,1,0,0|1,0,1]=4 716 B7R1.3 OC1CCCNC1 HR122384 [1,0,0,1,0,0|1,0,1]=4 717 B7R1.3 OC1CCCNC1 HR128253 [1,0,0,1,0,0|1,0,1]=4 718 B7R1.3 OC1CCCNC1 HR138469 [1,0,0,1,0,0|1,0,1]=4 719 B7R1.3 OC1CCCOC1 HR105061 [1,0,0,1,0,0|1,0,1]=4 720 B7R1.3 OC1CCNCC1 ACSA02513 [1,0,0,1,0,0|1,0,1]=4 721 B7R1.3 OC1CCNCC1 HR132750 [1,0,0,1,0,0|1,0,1]=4 722 B7R1.3 OC1CCOCC1 HR10170 [1,0,0,1,0,0|1,0,1]=4 723 B7R1.3 OC1CCSCC1 HR117672 [1,0,0,1,0,0|1,0,1]=4 724 B7R1.3 ON1CCCCC1 HR106287 [1,0,0,1,0,0|1,0,1]=4 725 B7R1.3 PC1CCCCC1 HR119652 [1,0,0,1,0,0|1,0,0]=3 726 B7R1.3 SC1CCCCC1 HR119141 [1,0,0,1,0,0|0,1,0]=3 727 B7R1.3 SC1CCOCC1 HR143968 [1,0,0,1,0,0|1,1,0]=4 728 B7R1.4 CC1=CCCC1=O HR114448 [1,0,0,1,0,0|0,0,2]=4 729 B7R1.4 CC1CCCC1=O HR112329 [1,0,0,1,0,0|0,0,0]=2 730 B7R1.4 CC1CCNC1=O HR103871 [1,0,0,1,0,0|1,0,0]=3 731 B7R1.4 CC1OCCC1=O HR131028 [1,0,0,1,0,0|1,0,0]=3 732 B7R1.4 CC1OCCC1S HR131287 [1,0,0,1,0,0|1,1,0]=4 733 B7R1.4 CC1SCCC1=O HR124610 [1,0,0,1,0,0|1,0,0]=3 734 B7R1.4 CN1CCCC1=O HR130754 [1,0,0,1,0,0|1,0,0]=3 735 B7R1.4 CN1CCOC1=O HR132150 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.4 NC1CCCC1N HR109799 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.4 NC1CCCC1O HR123573 [1,0,0,1,0,0|1,0,1]=4 738 B7R1.4 NC1CCCC1O HR126055 [1,0,0,1,0,0|1,0,1]=4 739 B7R1.4 NC1CCCC1O HR126723 [1,0,0,1,0,0|1,0,1]=4 740 B7R1.4 NC1CCCC1O HR135381 [1,0,0,1,0,0|1,0,1]=4 741 B7R1.4 NC1CCCC1O HR142701 [1,0,0,1,0,0|1,0,1]=4 742 B7R1.4 NC1CCNC1=O HR148583 [1,0,0,1,0,0|2,0,0]=4 743 B7R1.4 NC1CCOC1=O HR103069 [1,0,0,1,0,0|2,0,0]=4 744 B7R1.4 NC1CCOC1=O HR134625 [1,0,0,1,0,0|2,0,0]=4 745 B7R1.4 NC1CCOC1=O HR137954 [1,0,0,1,0,0|2,0,0]=4 746 B7R1.4 NC1CCOC1=O HR146738 [1,0,0,1,0,0|2,0,0]=4 747 B7R1.4 NC1CCSC1=O HR137672 [1,0,0,1,0,0|2,0,0]=4 748 B7R1.4 NN1CCCC1=O GASA04306 [1,0,0,1,0,0|2,0,0]=4 749 B7R1.4 O=C1CCCC1Br HR121144 [1,0,0,1,0,0|1,0,0]=3 750 B7R1.4 O=C1CCCC1Cl HR112783 [1,0,0,1,0,0|1,0,0]=3 751 B7R1.4 O=C1NCCC1O HR102172 [1,0,0,1,0,0|2,0,0]=4 752 B7R1.4 O=C1NCCC1O HR113273 [1,0,0,1,0,0|2,0,0]=4 753 B7R1.4 O=C1NCCC1O HR113406 [1,0,0,1,0,0|2,0,0]=4 754 B7R1.4 O=C1NCCC1O HR147016 [1,0,0,1,0,0|2,0,0]=4 755 B7R1.4 O=C1OCCC1Br HR10714 [1,0,0,1,0,0|2,0,0]=4 756 B7R1.4 OC1CCCC1O HR141990 [1,0,0,1,0,0|1,0,1]=4 757 B7R1.4 OC1CCCC1O HR144744 [1,0,0,1,0,0|1,0,1]=4 758 B7R1.6 OCCC1COC1 HR102073 [1,0,0,1,0,0|1,0,1]=4 759 B7R1.6 OCCN1CCC1 HR33950 [1,0,0,1,0,0|1,0,1]=4 760 B7R1.7 C=CCCC1CO1 HR130217 [1,0,0,1,0,0|1,0,1]=4 761 B7R1.7 C=CCCC1CO1 HR141536 [1,0,0,1,0,0|1,0,1]=4 762 B7R1.24 C1CCCNCC1 HR146715 [1,0,0,1,0,0|1,0,0]=3 763 B7R1.24 C1CCOCOC1 HR105864 [1,0,0,1,0,0|1,0,1]=4 764 B7R1.24 C1CNCCNC1 HR122712 [1,0,0,1,0,0|2,0,0]=4 765 B7R1.24 C1CNCCOC1 HR100780 [1,0,0,1,0,0|1,0,1]=4 766 B7R1.24 C1CNCCOC1 HR146137 [1,0,0,1,0,0|1,0,1]=4 767 B9R1.2 CCC1CC(=O)CCO1 HR120478 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.2 CCC1CCCC(=O)N1 HR146355 [0,1,0,1,0,0|0,0,0]=2 769 B9R1.2 CCC1CCCC(=O)O1 HR115799 [0,1,0,1,0,0|0,0,0]=2 770 B9R1.2 O=C1CCCC(CO)C1 HR121488 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.2 O=C1CCCC(CO)N1 HR145838 [0,1,0,1,0,0|1,0,0]=3 772 B9R1.2 O=C1CCCC(CO)N1 HR145841 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.2 O=C1CCCC(CO)N1 HR145844 [0,1,0,1,0,0|1,0,0]=3 774 B9R1.2 O=C1COCC(CO)N1 HR145834 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.7 CCCC1CCC(=O)O1 HR132110 [0,1,0,1,0,0|0,0,0]=2 776 B9R1.7 COCC1COC(=O)O1 HR118388 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.8 BrCCC1CCCCC1 HR103562 [0,1,0,1,0,0|1,0,1]=4 778 B9R1.8 Br[Mg]CC1CCCCC1 HR114949 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.8 C#CCC1CCCCC1 HR138357 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.8 C=CCC1COCCN1 HR146089 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.8 C=CCN1CCCCC1 HR101087 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.8 C=CCN1CCNCC1 HR100970 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.8 C=COC1CCCCC1 HR134783 [0,1,0,1,0,0|1,0,0]=3 784 B9R1.8 CCCC1CCCCN1 HR117183 [0,1,0,1,0,0|1,0,1]=4 785 B9R1.8 CCCC1CCNCC1 HR111340 [0,1,0,1,0,0|1,0,1]=4 786 B9R1.8 CCNC1CCCCC1 HR123083 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.8 CCOC1CCC=CO1 HR113159 [0,1,0,1,0,0|0,0,2]=4 788 B9R1.8 CCOC1CCCCC1 HR101065 [0,1,0,1,0,0|1,0,1]=4 789 B9R1.8 CCOC1CCCNC1 HR107704 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.8 COCC1CCCCN1 HR112101 [0,1,0,1,0,0|1,0,1]=4 791 B9R1.8 COCC1CCCCN1 HR119913 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.8 COCC1CCNCC1 HR115290 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.8 COCC1CCNCC1 HR118346 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.8 ClCCN1CCCCC1 HR133513 [0,1,0,1,0,0|1,0,1]=4 795 B9R1.8 N#CCC1CCCCC1 HR104699 [0,1,0,1,0,0|1,0,1]=4 796 B9R1.8 N#CCC1CCCNC1 HR150945 [0,1,0,1,0,0|1,0,1]=4 797 B9R1.8 N#CCC1CCNCC1 HR118515 [0,1,0,1,0,0|1,0,1]=4 798 B9R1.8 NCCC1CCCCC1 HR104236 [0,1,0,1,0,0|1,0,1]=4 799 B9R1.8 NCCC1CCCCC1 HR146888 [0,1,0,1,0,0|1,0,1]=4 800 B9R1.8 NCCC1CCCCN1 HR146075 [0,1,0,1,0,0|1,0,1]=4 801 B9R1.8 NCCC1CCCCN1 HR146076 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.8 NCCC1CCCCN1 HR146077 [0,1,0,1,0,0|1,0,1]=4 803 B9R1.8 NCCC1CCNCC1 HR119010 [0,1,0,1,0,0|1,0,1]=4 804 B9R1.8 NCCC1CCNCC1 HR145993 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.8 NCCC1CCOCC1 HR9727 [0,1,0,1,0,0|1,0,1]=4 806 B9R1.8 NCCN1CCCCC1 HR139959 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.8 O=CNC1=CCCCC1 HR106493 [0,1,0,1,0,0|0,0,2]=4 808 B9R1.8 OCCC1CCCCC1 HR113490 [0,1,0,1,0,0|0,0,2]=4 809 B9R1.8 OCCC1CCCCN1 DIXM01403 [0,1,0,1,0,0|0,0,2]=4 810 B9R1.8 OCCC1CCCCN1 HR138293 [0,1,0,1,0,0|0,0,2]=4 811 B9R1.8 OCCC1CCCCN1 HR145127 [0,1,0,1,0,0|0,0,2]=4 812 B9R1.8 OCCC1CCCCN1 HR145951 [0,1,0,1,0,0|0,0,2]=4 813 B9R1.8 OCCC1CCCNC1 HR113360 [0,1,0,1,0,0|0,0,2]=4 814 B9R1.8 OCCC1CCNCC1 HR123742 [0,1,0,1,0,0|0,0,2]=4 815 B9R1.8 OCCC1CCOCC1 HR107398 [0,1,0,1,0,0|0,0,2]=4 816 B9R1.8 OCCN1CCCCC1 HR138470 [0,1,0,1,0,0|0,0,2]=4 817 B9R1.8 S=C=NC1CCCCC1 HR139945 [0,1,0,1,0,0|0,1,1]=4 818 B9R1.12 CCCCN1CCCC1 HR134206 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.12 CCOCC1CCCO1 HR104807 [0,1,0,1,0,0|0,0,2]=4 820 B9R1.12 N#CCCN1CCCC1 HR133922 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.12 N#C\C=C\C1CCCC1 HR116540 [0,1,0,1,0,0|1,0,1]=4 822 B9R1.12 NCCCN1CCCC1 HR104838 [0,1,0,1,0,0|1,0,1]=4 823 B9R1.12 OCCCN1CCCC1 HR104866 [0,1,0,1,0,0|0,0,2]=4 824 B9R1.15 CN1CCCCC1CN HR113798 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.15 CN1CCCCC1CO HR125092 [0,1,0,1,0,0|0,0,2]=4 826 B9R1.15 COC1CCCNC1=O HR120913 [0,1,0,1,0,0|1,0,0]=3 827 B9R1.15 COC1COCCC1=O HR108975 [0,1,0,1,0,0|1,0,0]=3 828 B9R1.15 N#CC1CCCCC1O HR104445 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.15 N#CC1CNCCC1=O HR114535 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.15 N#CC1CNCCC1=O HR148662 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.15 NC1CCCCC1CO HR105883 [0,1,0,1,0,0|0,0,2]=4 832 B9R1.27 CCC1C(=O)CCC1=O HR124455 [0,1,0,1,0,0|0,0,1]=3 833 B9R1.33 CCCN1CCCC1=O HR125417 [0,1,0,1,0,0|0,0,0]=2 834 B9R1.33 CN1CCCC1CCCl HR118734 [0,1,0,1,0,0|1,0,1]=4 835 B9R1.33 CN1CCCC1CCCl HR122673 [0,1,0,1,0,0|1,0,1]=4 836 B9R1.33 CN1CCCC1CCN HR127358 [0,1,0,1,0,0|1,0,1]=4 837 B9R1.33 CN1CCCC1CCN HR136120 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.33 CN1CCCC1CCN HR146012 [0,1,0,1,0,0|1,0,1]=4 839 B9R1.33 CN1CCCC1CCN HR146095 [0,1,0,1,0,0|1,0,1]=4 840 B9R1.33 CN1CCCC1CCO HR133704 [0,1,0,1,0,0|0,0,2]=4 841 B9R1.33 COCC1CCCN1N HR120313 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.33 COCC1CCCN1N HR120636 [0,1,0,1,0,0|2,0,0]=4 843 B9R1.33 NCCN1CCCC1=O HR106125 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.33 NCCN1CCNC1=O HR108791 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.33 NCCN1CCNC1=O HR120336 [0,1,0,1,0,0|2,0,0]=4 846 B9R1.33 O=C1CCCN1CCO HR133780 [0,1,0,1,0,0|1,0,0]=3 847 B9R1.33 O=C1NCCN1CCCl HR134172 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.33 O=C1NCCN1CCO HR135370 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.33 O=C1OCCN1CCCl HR110242 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.33 O=C1OCCN1CCO HR109919 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.48 O=C1CCCCC(=O)C1 HR20261 [0,1,0,1,0,0|0,0,1]=3 852 B9R1.49 CN1CCCC(=O)CC1 HR115762 [0,1,0,1,0,0|1,0,0]=3 853 B9R1.49 CN1CCCC(=O)CC1 HR2443 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.49 CN1CCCC(O)CC1 HR132019 [0,1,0,1,0,0|2,0,0]=4 855 B9R1.49 CN1CCNC(=O)CC1 HR112731 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.49 CN1CCNC(=O)CC1 HR146772 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.50 NC1CCCCCCC1 HR140139 [0,1,0,1,0,0|1,0,1]=4 858 B9R1.50 O=C1CCCCCCC1 HR129393 [0,1,0,1,0,0|0,0,0]=2 859 B9R1.50 O=C1CCCCCCN1 HR128374 [0,1,0,1,0,0|0,0,0]=2 860 B9R1.50 O=C1CCNCCCN1 HR116529 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.50 OC1CCCCCCC1 HR105676 [0,1,0,1,0,0|0,0,2]=4 862 B9R1.69 CC1CN(C)CCC1=O HR132188 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.69 CC1CNC(=O)CC1=O HR148296 [0,1,0,1,0,0|1,0,1]=4 864 B9R1.5 CN1CCCCCC1=O HR132765 [0,1,0,1,0,0|0,0,0]=2 865 B9R1.5 NC1CCCCNC1=O HR143152 [0,1,0,1,0,0|1,0,0]=3 866 B9R1.5 NC1CCCCNC1=O HR144162 [0,1,0,1,0,0|1,0,0]=3 867 B9R1.5 NC1CSCCNC1=O HR111257 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.5 O=C1CCCCCN1Br HR100192 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.14 CCN1CCCC1CN HR132903 [0,1,0,1,0,0|1,0,1]=4 870 B9R1.14 CCN1CCCC1CN HR133171 [0,1,0,1,0,0|1,0,1]=4 871 B9R1.14 CCN1CCCC1CN HR133310 [0,1,0,1,0,0|1,0,1]=4 872 B9R1.83 C=CCCCCC1CO1 HR100858 [0,1,0,1,0,0|1,0,0]=3 873 B9R1.83 CCCCOCC1CO1 HR123131 [0,1,0,1,0,0|0,0,2]=4 874 B9R1.89 CNC1CCCCNC1 HR107937 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.89 NCC1CCCCCC1 HR109302 [0,1,0,1,0,0|1,0,1]=4 876 B9R1.89 O=CC1CCCCCC1 HR146293 [0,1,0,1,0,0|0,0,0]=2 877 B9R1.89 O=CN1CCCNCC1 HR112855 [0,1,0,1,0,0|1,0,0]=3 878 B9R1.1 CCC1CCC(O)CC1 HR138817 [0,1,0,1,0,0|1,0,1]=4 879 B9R1.1 CNC1CCC(O)CC1 HR114984 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.1 N#CC1CCC(O)CC1 HR148498 [0,1,0,1,0,0|1,0,1]=4 881 B9R1.1 NC1CCC(CO)CC1 HR139031 [0,1,0,1,0,0|0,0,2]=4 882 B9R1.1 O=CC1CCC(=O)CC1 HR144541 [0,1,0,1,0,0|0,0,1]=3 883 B9R1.3 CC1C(=O)CCCC1=O HR133563 [0,1,0,1,0,0|0,0,1]=3 884 B9R1.3 CN1CCCN(C)C1=O HR131128 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.3 O=C1CCCC(=O)C1Br HR108385 [0,1,0,1,0,0|1,0,1]=4 886 B9R1.118 C#CC1(N)CCCCC1 HR129670 [0,1,0,1,0,0|1,0,1]=4 887 B9R1.118 C#CC1(O)CCCCC1 HR1896 [0,1,0,1,0,0|1,0,1]=4 888 B9R1.118 C=CC1(O)CCCCC1 HR126096 [0,1,0,1,0,0|1,0,0]=3 889 B9R1.118 CCC1(O)CCCCC1 HR128236 [0,1,0,1,0,0|1,0,1]=4 890 B9R1.118 N#CC1(O)CCCCC1 HR101313 [0,1,0,1,0,0|1,0,1]=4 891 B9R1.118 OCC1(F)CCCCC1 HR147088 [0,1,0,1,0,0|0,0,2]=4 892 B9R1.6 CC(=O)C1=CCCCC1 HR138989 [0,1,0,1,0,0|0,0,2]=4 893 B9R1.6 CC(=O)C1CCCCC1 HR132742 [0,1,0,1,0,0|0,0,0]=2 894 B9R1.6 CC(=O)C1CCCCN1 HR114158 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.6 CC(=O)C1CCOCC1 HR112480 [0,1,0,1,0,0|1,0,0]=3 896 B9R1.6 CC(=O)N1CCNCC1 HR135408 [0,1,0,1,0,0|2,0,0]=4 897 B9R1.6 CC(=O)N1CCOCC1 HR127112 [0,1,0,1,0,0|2,0,0]=4 898 B9R1.6 CN(C)C1CCCCC1 HR145503 [0,1,0,1,0,0|2,0,0]=4 899 B9R1.6 ClP(Cl)C1CCCCC1 HR118392 [0,1,0,1,0,0|2,0,0]=4 900 B9R1.6 N=C(N)C1CCNCC1 HR107350 [0,1,0,1,0,0|2,0,0]=4 901 B9R1.6 NC(=O)C1CCCCC1 HR134499 [0,1,0,1,0,0|0,0,0]=2 902 B9R1.6 NC(=O)C1CCCCN1 HR109986 [0,1,0,1,0,0|1,0,0]=3 903 B9R1.6 NC(=O)C1CCCCN1 HR149250 [0,1,0,1,0,0|1,0,0]=3 904 B9R1.6 NC(=O)C1CCCNC1 HR124567 [0,1,0,1,0,0|1,0,0]=3 905 B9R1.6 NC(=O)C1CCNCC1 ACSA02520 [0,1,0,1,0,0|1,0,0]=3 906 B9R1.6 NC(=O)C1CNCCN1 HR112404 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.6 O=C(Cl)C1CCCCC1 HR133690 [0,1,0,1,0,0|0,0,0]=2 908 B9R1.6 O=C(Cl)C1CCOCC1 HR124521 [0,1,0,1,0,0|1,0,0]=3 909 B9R1.6 O=C(Cl)N1CCOCC1 HR138923 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.6 O=C(O)C1=CCCCC1 HR127974 [0,1,0,1,0,0|0,0,2]=4 911 B9R1.6 O=C(O)C1CC=CCC1 HR11032 [0,1,0,1,0,0|0,0,2]=4 912 B9R1.6 O=C(O)C1CC=CCC1 HR139596 [0,1,0,1,0,0|0,0,2]=4 913 B9R1.6 O=C(O)C1CC=CCC1 HR144350 [0,1,0,1,0,0|0,0,2]=4 914 B9R1.6 O=C(O)C1CCCCC1 DAJL01401 [0,1,0,1,0,0|0,0,0]=2 915 B9R1.6 O=C(O)C1CCCCC1 HR10570 [0,1,0,1,0,0|0,0,0]=2 916 B9R1.6 O=C(O)C1CCCCN1 HR116043 [0,1,0,1,0,0|1,0,0]=3 917 B9R1.6 O=C(O)C1CCCCN1 HR122879 [0,1,0,1,0,0|1,0,0]=3 918 B9R1.6 O=C(O)C1CCCCN1 HR132254 [0,1,0,1,0,0|1,0,0]=3 919 B9R1.6 O=C(O)C1CCCCN1 HR136021 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.6 O=C(O)C1CCCCN1 HR136802 [0,1,0,1,0,0|1,0,0]=3 921 B9R1.6 O=C(O)C1CCCCN1 HR138030 [0,1,0,1,0,0|1,0,0]=3 922 B9R1.6 O=C(O)C1CCCCN1 HR145800 [0,1,0,1,0,0|1,0,0]=3 923 B9R1.6 O=C(O)C1CCCCN1 HR5567 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.6 O=C(O)C1CCCCO1 HR112642 [0,1,0,1,0,0|1,0,0]=3 925 B9R1.6 O=C(O)C1CCCCO1 HR145775 [0,1,0,1,0,0|1,0,0]=3 926 B9R1.6 O=C(O)C1CCCCO1 HR145783 [0,1,0,1,0,0|1,0,0]=3 927 B9R1.6 O=C(O)C1CCCNC1 HR115729 [0,1,0,1,0,0|1,0,0]=3 928 B9R1.6 O=C(O)C1CCCNC1 HR116358 [0,1,0,1,0,0|1,0,0]=3 929 B9R1.6 O=C(O)C1CCCNC1 HR124123 [0,1,0,1,0,0|1,0,0]=3 930 B9R1.6 O=C(O)C1CCCNC1 HR127349 [0,1,0,1,0,0|1,0,0]=3 931 B9R1.6 O=C(O)C1CCCOC1 HR108512 [0,1,0,1,0,0|1,0,0]=3 932 B9R1.6 O=C(O)C1CCNCC1 HR144644 [0,1,0,1,0,0|1,0,0]=3 933 B9R1.6 O=C(O)C1CCNCC1 HR7718 [0,1,0,1,0,0|1,0,0]=3 934 B9R1.6 O=C(O)C1CCOCC1 IBCQ00401 [0,1,0,1,0,0|1,0,0]=3 935 B9R1.6 O=C(O)C1CNCCN1 HR124448 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.6 O=C(O)C1CNCCN1 HR127281 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.6 O=C(O)C1CNCCN1 HR131313 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.6 O=C(O)C1CNCCN1 HR131587 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.6 O=C(O)C1CNCCN1 HR131670 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.6 O=C(O)C1CNCCN1 HR135543 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.6 O=C(O)C1CNCCN1 HR136740 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.6 O=C(O)C1CNCCN1 HR136998 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.6 O=C(O)C1CNCCN1 HR144941 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.6 O=C(O)C1CNCCO1 HR117234 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.6 O=C(O)C1CNCCO1 HR117737 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.6 O=C(O)C1CNCCO1 HR145792 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.6 O=C(O)C1COCCN1 HR115132 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.6 O=C(O)C1COCCN1 HR115439 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.6 O=C(O)C1COCCN1 HR145709 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.6 O=C(O)C1COCCN1 HR145727 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.6 O=C(O)C1COCCN1 HR146837 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.6 O=C(O)C1CSCCN1 HR145827 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.6 O=C(O)C1CSCCN1 HR146212 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.6 O=C(O)C1CSCCN1 HR146213 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.6 O=C([O-])C1CCCCC1 HR120023 [0,1,0,1,0,0|0,0,0]=2 956 B9R1.6 OB(O)C1CCCCC1 HR132740 [0,1,0,1,0,0|1,0,1]=4 957 B9R1.6 S=C(S)N1CCCCC1 HR145077 [0,1,0,1,0,0|1,1,0]=4 958 B9R1.13 CC(=O)NC1CCNC1 HR119460 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.13 CC(=O)NC1CCNC1 HR126156 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.13 CC(=O)NC1CCNC1 HR149035 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.13 O=C(Cl)OC1CCCC1 HR130910 [0,1,0,1,0,0|1,0,0]=3 962 B9R1.13 O=C(O)CC1CCCC1 HR140131 [0,1,0,1,0,0|0,0,0]=2 963 B9R1.13 O=C(O)CC1CCCN1 HR139892 [0,1,0,1,0,0|1,0,0]=3 964 B9R1.13 O=C(O)CC1CCCN1 HR145708 [0,1,0,1,0,0|1,0,0]=3 965 B9R1.13 O=C(O)CC1CCCO1 HR15380 [0,1,0,1,0,0|1,0,0]=3 966 B9R1.13 O=C(O)CC1CCNC1 HR105011 [0,1,0,1,0,0|1,0,0]=3 967 B9R1.13 O=C(O)CC1CCNC1 HR145803 [0,1,0,1,0,0|1,0,0]=3 968 B9R1.13 O=C(O)CC1CCNC1 HR145804 [0,1,0,1,0,0|1,0,0]=3 969 B9R1.13 O=C(O)CC1CCOC1 HR114277 [0,1,0,1,0,0|1,0,0]=3 970 B9R1.13 O=C(O)CN1CCCC1 HR110460 [0,1,0,1,0,0|1,0,0]=3 971 B9R1.40 CC1(C)CCCCC1=O HR147205 [0,1,0,1,0,0|0,0,0]=2 972 B9R1.40 CC1(C)NCCNC1=O HR109642 [0,1,0,1,0,0|2,0,0]=4 973 B9R1.40 O=C1CCNCC1(F)F HR149720 [0,1,0,1,0,0|2,0,0]=4 974 B9R1.41 CC(=O)C1CCCC1=O HR144598 [0,1,0,1,0,0|0,0,1]=3 975 B9R1.41 CC(=O)C1CCOC1=O HTXM01002 [0,1,0,1,0,0|1,0,1]=4 976 B9R1.41 CC(C)N1CCCC1=O HR104571 [0,1,0,1,0,0|1,0,0]=3 977 B9R1.41 CC1CCNC1C(=O)O HR139699 [0,1,0,1,0,0|1,0,0]=3 978 B9R1.41 CN1CCCC1C(=O)O HR102016 [0,1,0,1,0,0|1,0,0]=3 979 B9R1.41 CN1CCCC1C(=O)O HR139408 [0,1,0,1,0,0|1,0,0]=3 980 B9R1.41 CN1CCCC1C(=O)O HR139601 [0,1,0,1,0,0|1,0,0]=3 981 B9R1.41 CN1CCCC1C(=O)O HR147686 [0,1,0,1,0,0|1,0,0]=3 982 B9R1.41 NC1CCCC1C(=O)O HR11111 [0,1,0,1,0,0|1,0,0]=3 983 B9R1.41 NC1CCCC1C(=O)O HR112426 [0,1,0,1,0,0|1,0,0]=3 984 B9R1.41 NC1CCCC1C(=O)O HR112742 [0,1,0,1,0,0|1,0,0]=3 985 B9R1.41 NC1CCCC1C(=O)O HR113061 [0,1,0,1,0,0|1,0,0]=3 986 B9R1.41 NC1CCCC1C(=O)O HR117553 [0,1,0,1,0,0|1,0,0]=3 987 B9R1.41 O=C(O)C1CCCC1=O HR109477 [0,1,0,1,0,0|1,0,1]=4 988 B9R1.41 O=C(O)C1NCCC1O HR100963 [0,1,0,1,0,0|2,0,0]=4 989 B9R1.41 O=C(O)C1NCCC1O HR146202 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.84 O=C(O)CCC1CCC1 HR103351 [0,1,0,1,0,0|0,0,0]=2 991 B9R2.68 C1CC2CNC(C1)C2 HR116444 [0,0,0,2,0,0|1,0,1]=4 992 B9R2.39 O=C1CC2CCC1C2 HR102426 [0,0,0,2,0,0|0,0,0]=2 993 B9R2.39 OC1CC2C=CC1C2 HR124336 [0,0,0,2,0,0|2,0,0]=4 994 B9R2.3 C1CC2CNCC2C1 HR107273 [0,0,0,2,0,0|1,0,1]=4 995 B9R2.3 C1CC2CNCC2C1 HR140368 [0,0,0,2,0,0|1,0,1]=4 996 B9R2.3 C1CC2CNCC2C1 HR146019 [0,0,0,2,0,0|1,0,1]=4 997 B9R2.3 C1CC2CNCC2C1 HR9779 [0,0,0,2,0,0|1,0,1]=4 998 B9R2.7 O=C1CC2C=CCC12 HR129364 [0,0,0,2,0,0|0,0,2]=4 999 B9R2.7 O=C1CC2C=CCC12 HR142933 [0,0,0,2,0,0|0,0,2]=4 1000 B9R2.7 O=C1CC2C=CCC12 HR143858 [0,0,0,2,0,0|0,0,2]=4 1001 B9R2.7 O=C1NC2CCCC12 HR101686 [0,0,0,2,0,0|1,0,0]=3 1002 B9R2.173 C1CCC2(C1)CNC2 HR30227 [0,0,0,2,0,0|2,0,0]=4