0 B7R0.4 C#CCCCC(=O)O HR119998 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 C=CCCCC(=O)O HR110118 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.4 C=CCNCC(=O)O HR144457 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 C=CCNCC(=O)O HR146187 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 CC(=O)CCCCBr HR125447 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 CC(=O)CCCCCl HR124124 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 CC(=O)OCCCCl HR130837 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 CC(C)CCCCBr HR119057 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CC(C)CCCCO HR145339 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CC(O)CCCCO HR100920 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 CCCCCB(O)O HR142127 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.4 CCCCCC(C)Br HR136114 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.4 CCCCCC(C)O HR113580 [0,0,0,0,0,0|1,0,1]=2 13 B7R0.4 CCCCCC(C)O HR113894 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.4 CCCCCC(C)O HR133526 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.4 CCCCNC(N)=O HR125670 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.4 CCCCOC(N)=O HR123655 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.4 CCCCO[P+](=O)O HR109028 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.4 CCCOCC(C)O HR142954 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.4 CCOCC=C(C)C HR111947 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.4 CCO\C=C\C(=O)Cl HR144705 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,0,0,0,0,0|0,0,2]=2 24 B7R0.4 CN(C)CCCCN HR106772 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.4 C\C=C\C=C\C(=O)O HR125524 [0,0,0,0,0,0|0,0,4]=4 26 B7R0.4 N#CCCCC(=O)O HR118843 [0,0,0,0,0,0|1,0,1]=2 27 B7R0.4 N#CCSCC(=O)O HR110059 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.4 N#CCSCC(=O)[O-] HR136238 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.4 NC(=O)COCCCl HR115417 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.4 NCCCCC(=O)O HR127046 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.4 NCCCCC(=O)O HR139651 [0,0,0,0,0,0|1,0,0]=1 32 B7R0.4 O=C(Cl)CCCCBr HR138251 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.4 O=C(Cl)CCCCCl HR135830 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.4 O=C(Cl)OCCCCl HR136628 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.4 O=C(O)CCCCBr HR127598 [0,0,0,0,0,0|1,0,0]=1 36 B7R0.4 O=C(O)CCCCCl HR127871 [0,0,0,0,0,0|1,0,0]=1 37 B7R0.4 O=C(O)COCCCl HR100767 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.4 O=S(Cl)OCCCF HR101826 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.4 C#CCCC(=O)O HR101408 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.4 C=C(C)CNCC HR128262 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 C=CCCC(=O)Cl HR106043 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.4 C=CCCC(=O)O HR128583 [1,0,0,0,0,0|0,0,2]=3 43 B6R0.4 CC(=O)CCCBr HR147487 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 CC(=O)CCCCl HR100024 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 CC(=O)CCCO HR136959 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 CC(=O)NCCN HR128075 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 CC(=O)NCCO HR100613 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 CC(=O)OCCBr HR131354 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.4 CC(O)CCCO HR139458 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 CCCCB(O)O HR137738 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.4 CCCCC(=O)Cl HR147689 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.4 CCCCC(=O)[O-] HR143929 [1,0,0,0,0,0|0,0,1]=2 53 B6R0.4 CCCCC(C)N HR107080 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 CCCCC(C)O HR113264 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.4 CCCCC(C)O HR141634 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.4 CCCCC(N)=O HR110039 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.4 CCCCN(C)C HR124181 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 CCCC[Sn](=O)O HR135371 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.4 CCCNC(N)=S HR109524 [1,0,0,0,0,0|2,1,0]=4 60 B6R0.4 CCCSC(C)=O HR137881 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 CCNCC(=O)O HR105131 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.4 CCOCC(=O)O HR123178 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.4 CNCCC(=O)O HR100194 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.4 COCCC(C)O HR129774 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.4 COCCC(O)Br HR10478 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 CSCCC(C)=O HR133952 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 N#CCCC(=O)O HR103469 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.4 NCCCC(=O)O HR130958 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.4 O=C(Cl)CCCBr HR102428 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 O=C(Cl)CCCCl HR129406 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 O=C(Cl)OCCCl HR132842 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.4 O=C(Cl)OCCCl HR17418 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 O=C(O)C#CCO HR112666 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.4 O=C(O)CCCBr HR131673 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.4 O=C(O)CCCCl HR120152 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.4 O=CCCC(=O)O HR134907 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.6 BrCCCCCBr BEJL02301 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 C#CCCCC=O VIJL03309 [1,0,0,0,0,0|0,0,2]=3 79 B6R0.6 C#CCCCCO HR141440 [1,0,0,0,0,0|0,0,3]=4 80 B6R0.6 C=CCCCC#N HR140662 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 C=CCCCCBr HR137464 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.6 C=CCCCCCl HR113553 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.6 C=CCCCCN HR143196 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.6 C=CCCCCO HR120838 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.6 C=CCOCCO HR133981 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.6 C=CCSCCC HR130566 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.6 C=CCSSCC HR131362 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.6 C=COCCCC PAJB01004 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.6 CCCC#CCO HR100925 [1,0,0,0,0,0|0,0,3]=4 90 B6R0.6 CCCCCCI HR101787 [1,0,0,0,0,0|1,0,1]=3 91 B6R0.6 CCCCCCO HR108609 [1,0,0,0,0,0|0,0,1]=2 92 B6R0.6 CCCCCCO HR127298 [1,0,0,0,0,0|0,0,1]=2 93 B6R0.6 CCCCCC[SiH3] HR107072 [1,0,0,0,0,0|1,0,1]=3 94 B6R0.6 CCCCCNC HR128731 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.6 CCCCC[Mg]Br HR116206 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.6 CCCCC[Mg]Cl HR115571 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.6 CCCCN=C=S HR144405 [1,0,0,0,0,0|1,1,1]=4 98 B6R0.6 CCCCNCC HR125662 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.6 CCCCOCCl HR132357 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.6 CCCCSC#N HR137924 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.6 CCCCS[SnH]=O HR100704 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.6 CCCC[Mg]CC HR115887 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.6 CCCOCCCl HR126380 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.6 CCCOCCO HR123698 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.6 CCC\C=C\C=O HR127670 [1,0,0,0,0,0|0,0,2]=3 106 B6R0.6 CCC\C=C\CO HR127397 [1,0,0,0,0,0|0,0,3]=4 107 B6R0.6 CCNCCCN HR100502 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 CCOCCC#N HR132950 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.6 CCOCCCCl HR124824 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.6 CCOCCCN HR100101 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.6 CCOCCCO HR128209 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.6 CC\C=C\CCO HR100849 [1,0,0,0,0,0|0,0,3]=4 113 B6R0.6 CC\C=C\CCO HR130305 [1,0,0,0,0,0|0,0,3]=4 114 B6R0.6 CNCCCNC HR133916 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.6 COCCCCBr HR131929 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.6 COCCCCCl HR130420 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.6 COCCCCN HR141637 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.6 COCCCCO HR129257 [1,0,0,0,0,0|1,0,1]=3 119 B6R0.6 COCCCOC HR127938 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.6 C\C=C\CCCC HR145495 [1,0,0,0,0,0|1,0,1]=3 121 B6R0.6 C\C=C\CCCO HR110400 [1,0,0,0,0,0|0,0,3]=4 122 B6R0.6 C\C=C\CCCO HR111291 [1,0,0,0,0,0|0,0,3]=4 123 B6R0.6 ClCCCCCBr HR125269 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.6 FCCCCCBr HR120213 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.6 N#CCCCCBr HR114079 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.6 N#CCCCCCl HR122521 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.6 NCCCCCN HR146969 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.6 NCCCCCO HR139094 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.6 NCCNCCO HR129715 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.6 NCCSCCO HR131001 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.6 O=C=NCCCCl HR108117 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.6 O=CCCCC=O HR141217 [1,0,0,0,0,0|1,0,1]=3 133 B6R0.6 O=CCCCCCl HR119509 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.6 O=CCCCCO HR116282 [1,0,0,0,0,0|1,0,0]=2 135 B6R0.6 O=CCOCCO HR117228 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.6 OCCCCCBr HR102868 [1,0,0,0,0,0|1,0,1]=3 137 B6R0.6 OCCCCCCl HR134047 [1,0,0,0,0,0|1,0,1]=3 138 B6R0.6 OCCCCCO HR136505 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.6 OCCOCCCl HR126550 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 OCCOCCO HR128647 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.6 OCCSCCO HR124597 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.6 SCCCCCS HR128025 [1,0,0,0,0,0|1,1,1]=4 143 B6R0.6 [Li]CCCCCC HR142102 [1,0,0,0,0,0|1,0,1]=3 144 B8R0.5 C#CCC(N)CC(=O)O HR107806 [0,1,0,0,0,0|0,0,2]=3 145 B8R0.5 C#CCC(N)CC(=O)O HR108120 [0,1,0,0,0,0|0,0,2]=3 146 B8R0.5 CCOC(=O)CC(=O)Cl HR105395 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.5 CCOC(=O)CC(=O)O HR125762 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.5 CCOC(=O)CC(C)=O BRSA08315 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.5 CCOC(=O)CC(C)=O HR134952 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.5 CCOC(=O)CC(N)=O HR32504 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.5 CCOC(C)OC(C)=O HR121743 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.5 COCC(=O)CC(C)=O HR134533 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.5 COCC(C)OC(C)=O HR138591 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.6 C#CC(O)CCCCC HR131985 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.6 C=CC(=O)CCCCC HR128010 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.6 C=CC(=O)OCCOC HR136408 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.6 C=CC(O)CCCCC HR133074 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.6 CCCCCC(=O)CI HR120235 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.6 CCCCCC(=O)SC HR105293 [0,1,0,0,0,0|0,1,0]=2 160 B8R0.6 CCCCCC(O)CC HR112896 [0,1,0,0,0,0|1,0,1]=3 161 B8R0.6 CCCCCC(O)CC HR113840 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.6 CCCCNC(=O)CCl HR147680 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.6 CCCCOC(=O)CO HR135884 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.6 CCCCOC(=O)CS HR123589 [0,1,0,0,0,0|1,1,0]=3 165 B8R0.6 CCC\C=C\C(=O)OC HR101945 [0,1,0,0,0,0|0,0,2]=3 166 B8R0.6 CCC\C=C\C(=O)OC HR138885 [0,1,0,0,0,0|0,0,2]=3 167 B8R0.6 COC(=O)CCCCBr HR132792 [0,1,0,0,0,0|1,0,0]=2 168 B8R0.6 COC(=O)CCCCCl HR117426 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.6 COC(=O)CCN=C=S HR117775 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.6 COC(=O)COCCCl HR118852 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.6 COCCCC(=O)OC HR115734 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.6 OCCCCC(O)CO HR123795 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.7 C#CCCCCC(=O)O HR102532 [0,1,0,0,0,0|0,0,1]=2 174 B8R0.7 C=CCCCOC(C)=O HR143247 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.7 CC(=O)NCCCCN HR118654 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.7 CC(=O)OCCCCBr HR131090 [0,1,0,0,0,0|2,0,0]=3 177 B8R0.7 CC(=O)OCCCCCl HR122635 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.7 CC(C)CCCCCO HR101450 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.7 CC(C)CCCCCO HR144906 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.7 CCCCCCB(O)O HR124554 [0,1,0,0,0,0|1,0,1]=3 181 B8R0.7 CCCCCCC(=O)Cl HR135566 [0,1,0,0,0,0|1,0,0]=2 182 B8R0.7 CCCCCCC(=O)[O-] HR123614 [0,1,0,0,0,0|0,0,1]=2 183 B8R0.7 CCCCCCC(C)=O HR138624 [0,1,0,0,0,0|1,0,0]=2 184 B8R0.7 CCCCCCC(C)Br HR126862 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.7 CCCCCCC(C)N HR132596 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.7 CCCCCCC(C)N HR139394 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.7 CCCCCCC(C)O HR125954 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.7 CCCCCCC(C)O HR128561 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.7 CCCCCCC(C)O HR132915 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.7 CCCCCCC(C)O HR133230 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.7 CCCCCCC(C)S HR114461 [0,1,0,0,0,0|1,1,1]=4 192 B8R0.7 CCCCCOC(=O)Cl HR137197 [0,1,0,0,0,0|1,0,0]=2 193 B8R0.7 CCCCOCC(=O)O HR124559 [0,1,0,0,0,0|0,0,0]=1 194 B8R0.7 CCCCOCC(C)O HR132803 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.7 CCCC\C=C\B(O)O HR110117 [0,1,0,0,0,0|1,0,2]=4 196 B8R0.7 CCOCCOC(=O)Cl HR139845 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.7 COCCOCC(=O)O HR131950 [0,1,0,0,0,0|1,0,0]=2 198 B8R0.7 CSCCCOC(C)=O HR130302 [0,1,0,0,0,0|2,0,0]=3 199 B8R0.7 N=C(N)NCCCCN HR135389 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.7 NCCCCCC(=O)O HR123389 [0,1,0,0,0,0|0,0,0]=1 201 B8R0.7 NCCCCCC(=O)O HR140316 [0,1,0,0,0,0|0,0,0]=1 202 B8R0.7 O=C(Cl)CCCCCBr HR130949 [0,1,0,0,0,0|1,0,0]=2 203 B8R0.7 O=C(Cl)CCCCCCl HR101723 [0,1,0,0,0,0|1,0,0]=2 204 B8R0.7 O=C(O)CCCCCBr HR131936 [0,1,0,0,0,0|0,0,0]=1 205 B8R0.7 O=C(O)CCCCCCl HR131336 [0,1,0,0,0,0|0,0,0]=1 206 B8R0.8 CCCCC(=O)C(C)=O HR133012 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.8 CCCCC(Br)C(=O)O HR127260 [0,1,0,0,0,0|0,0,0]=1 208 B8R0.8 CCCCC(C)C(=O)O HR121647 [0,1,0,0,0,0|0,0,0]=1 209 B8R0.8 CCCCC(N)B(O)O HR32491 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.8 CCCCC(N)C(=O)O HR133839 [0,1,0,0,0,0|0,0,0]=1 211 B8R0.8 CCCCC(N)C(=O)O HR134634 [0,1,0,0,0,0|0,0,0]=1 212 B8R0.8 CCCCC(N)C(=O)O HR134894 [0,1,0,0,0,0|0,0,0]=1 213 B8R0.8 CSCCC(N)C(=O)O HR100026 [0,1,0,0,0,0|1,0,0]=2 214 B8R0.8 CSCCC(N)C(=O)O HR123144 [0,1,0,0,0,0|1,0,0]=2 215 B8R0.8 CSCCC(N)C(=O)O HR123406 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.8 CSCCC(N)C(=O)O HR132929 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.8 CSCCC(N)C(=O)O HR137287 [0,1,0,0,0,0|1,0,0]=2 218 B8R0.8 CSCCC(N)C(N)=O HR114117 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.8 CSCCC(N)C(O)=[Se] HR126623 [0,1,0,0,0,0|1,1,0]=3 220 B8R0.8 CSCCC(N)[13C](=O)O HR140512 [0,1,0,0,0,0|1,0,0]=2 221 B8R0.8 CSCCC(O)C(=O)O HR136742 [0,1,0,0,0,0|1,0,0]=2 222 B8R0.8 CSCCC(O)C(=O)[O-] HR118219 [0,1,0,0,0,0|1,0,1]=3 223 B8R0.8 C[35S]CCC(N)C(=O)O HR143199 [0,1,0,0,0,0|1,0,0]=2 224 B8R0.8 C[Se]CCC(N)C(=O)O HR129810 [0,1,0,0,0,0|1,0,0]=2 225 B8R0.8 NC(CCCO)C(=O)O HR114281 [0,1,0,0,0,0|1,0,0]=2 226 B8R0.8 NCCCC(N)C(=O)O HR123396 [0,1,0,0,0,0|1,0,0]=2 227 B8R0.8 NCCCC(N)C(=O)O HR123926 [0,1,0,0,0,0|1,0,0]=2 228 B8R0.8 NCCCC(N)C(=O)O HR124308 [0,1,0,0,0,0|1,0,0]=2 229 B8R0.8 NCCCC(N)C(=O)O HR135672 [0,1,0,0,0,0|1,0,0]=2 230 B8R0.8 NCCCC(N)C(=O)O HR142321 [0,1,0,0,0,0|1,0,0]=2 231 B8R0.8 NCCCC(N)C(=O)O HR143440 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.8 NCCCC(N)C(=O)O ORJL01301 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.9 C=CC(N)CCC(=O)O HR134815 [0,1,0,0,0,0|0,0,2]=3 234 B8R0.9 CC(=O)OCC(O)CO HR119576 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.9 CCC(=O)CCC(C)=O HR121178 [0,1,0,0,0,0|1,0,1]=3 236 B8R0.9 CCC(C)CCC(C)N HR118585 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.9 CCC(C)COC(=O)Cl HR143745 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.9 CCC(C)COC(C)=O HR104042 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.9 CCC(C)COC(C)=O HR112686 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.9 COC(=O)CCC(=O)Cl HR123462 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.9 COC(=O)CCC(=O)[O-] HR138200 [0,1,0,0,0,0|1,0,2]=4 242 B8R0.9 COC(C)COC(C)=O HR143173 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.9 NCC(=O)CCC(=O)O HR115792 [0,1,0,0,0,0|1,0,1]=3 244 B8R0.9 NCC(=O)CCC(=O)O HR124289 [0,1,0,0,0,0|1,0,1]=3 245 B8R0.9 NCC(=O)NCC(=O)O HR100015 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.21 CCCCCS(=O)(=O)Cl HR110757 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.21 CCCCCS(=O)(=O)[O-] HR127418 [0,1,0,0,0,0|1,0,1]=3 248 B8R0.21 CCCCCS(=O)(=O)[O-] HR134915 [0,1,0,0,0,0|1,0,1]=3 249 B8R0.21 CCCCOS(C)(=O)=O HR131554 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.28 CC(=O)CCC=C(C)C HR127537 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.28 CC(=O)CCCC(C)C HR145408 [0,1,0,0,0,0|1,0,0]=2 252 B8R0.28 CC(=O)C\C=C\C(=O)O HR110909 [0,1,0,0,0,0|0,0,3]=4 253 B8R0.28 CC(C)CCCC(C)N HR128847 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.28 CC(C)CCOC(=O)Cl HR143844 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.28 CC(O)CCCC(C)O HR143862 [0,1,0,0,0,0|1,0,1]=3 256 B8R0.28 CC(O)COCC(C)O HR133846 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.28 CN(C)CCCC(=O)O HR125161 [0,1,0,0,0,0|1,0,0]=2 258 B8R0.28 CN(C)C\C=C\C(=O)O HR112008 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.28 CN(C)C\C=C\C(=O)O HR138898 [0,1,0,0,0,0|1,0,2]=4 260 B8R0.28 N=C(N)NCCC(=O)O HR123675 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.28 N=C(S)NCCC(=O)O HR129341 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.28 O=C(Cl)CCCC(=O)Cl HR142561 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.28 O=C(O)CCCC(=O)O HR132258 [0,1,0,0,0,0|1,0,1]=3 264 B8R0.28 O=C(O)CNCC(=O)O HR138649 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.28 O=C(O)COCC(=O)O HR121403 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.28 O=C(O)CSCC(=O)O HR124866 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.28 O=C([O-])CCCC(=O)[O-] HR145446 [0,1,0,0,0,0|1,0,2]=4 268 B8R1.1 C=CC1CCC(=O)N1 HR117010 [0,0,0,1,0,0|1,0,2]=4 269 B8R1.1 C=CC1CCC(=O)O1 HR127408 [0,0,0,1,0,0|0,0,2]=3 270 B8R1.1 C=CC1COC(=O)O1 HR135385 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,0,0,1,0,0|0,0,0]=1 272 B8R1.1 CCN1CCC(=O)C1 HR113880 [0,0,0,1,0,0|2,0,0]=3 273 B8R1.1 CCN1CCC(O)C1 HR103620 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.1 O=C1C=CC(CO)O1 HR108465 [0,0,0,1,0,0|1,0,2]=4 275 B8R1.1 O=C1C=CC(CO)O1 HR7063 [0,0,0,1,0,0|1,0,2]=4 276 B8R1.1 O=C1CCC(CBr)N1 HR147112 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.1 O=C1CCC(CO)N1 HR107754 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.1 O=C1CCC(CO)N1 HR126441 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.1 O=C1CCC(CO)N1 HR130096 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,0,0,1,0,0|1,0,0]=2 281 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,0,0,1,0,0|1,0,0]=2 282 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,0,0,1,0,0|1,0,0]=2 283 B8R1.1 O=C1NC(CI)CO1 HR146345 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.1 O=C1NCC(CCl)O1 HR101243 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.1 O=C1NCC(CCl)O1 HR105324 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,0,0,1,0,0|1,0,1]=3 288 B8R1.4 CC1CC(=O)CCN1 HR120677 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.4 CC1CC(=O)CCN1 HR140081 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.4 CC1CC(O)CCO1 HR120725 [0,0,0,1,0,0|2,0,1]=4 291 B8R1.4 CC1CC(O)CCO1 HR121039 [0,0,0,1,0,0|2,0,1]=4 292 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,0,0,1,0,0|1,0,0]=2 293 B8R1.4 CC1CCCC(C)C1 HR101015 [0,0,0,1,0,0|2,0,1]=4 294 B8R1.4 CC1CCCC(C)N1 HR120277 [0,0,0,1,0,0|2,0,1]=4 295 B8R1.4 CC1CCCC(C)N1 HR140810 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.4 CC1CCCC(N)C1 HR115864 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.4 CC1CNCC(C)O1 HR130869 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.4 CC1CNCC(C)O1 HR133276 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.4 CC1CNCC(C)O1 HR145914 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.4 CC1CNCC(C)O1 HR145915 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.4 CN1CCCC(=O)C1 HR120165 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.4 CN1CCCC(O)C1 HR119067 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.4 CN1CCNC(=O)C1 HR119613 [0,0,0,1,0,0|3,0,0]=4 304 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,0,0,1,0,0|2,0,1]=4 305 B8R1.4 NC1CCCC(O)C1 HR12673 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.4 NC1CCNC(=O)C1 HR107374 [0,0,0,1,0,0|3,0,0]=4 307 B8R1.4 NC1CCNC(=O)C1 HR113606 [0,0,0,1,0,0|3,0,0]=4 308 B8R1.4 O=C1CC(O)CCN1 HR110819 [0,0,0,1,0,0|3,0,0]=4 309 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,0,0,1,0,0|2,0,1]=4 310 B8R1.4 O=C1CCCC(=O)N1 HR139848 [0,0,0,1,0,0|2,0,1]=4 311 B8R1.4 O=C1CCCC(=O)O1 ZOCQ02609 [0,0,0,1,0,0|1,0,1]=3 312 B8R1.4 O=C1COCC(=O)O1 HR104159 [0,0,0,1,0,0|2,0,1]=4 313 B8R1.4 O=C1CSCC(=O)O1 HR100358 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.4 OC1CCCC(O)C1 HR133806 [0,0,0,1,0,0|2,0,1]=4 315 B8R1.7 CC(=O)C1CCCC1 HR120520 [0,0,0,1,0,0|1,0,0]=2 316 B8R1.7 NC(=O)C1CCCN1 HR112229 [0,0,0,1,0,0|2,0,0]=3 317 B8R1.7 NC(=O)C1CCCN1 HR120776 [0,0,0,1,0,0|2,0,0]=3 318 B8R1.7 NC(=O)C1CCCN1 HR125014 [0,0,0,1,0,0|2,0,0]=3 319 B8R1.7 NC(=O)C1CCCN1 HR125279 [0,0,0,1,0,0|2,0,0]=3 320 B8R1.7 NC(=O)C1CCCN1 HR133421 [0,0,0,1,0,0|2,0,0]=3 321 B8R1.7 NC(=O)C1CCCN1 HR145038 [0,0,0,1,0,0|2,0,0]=3 322 B8R1.7 NC(=O)C1CCNC1 HR105323 [0,0,0,1,0,0|2,0,0]=3 323 B8R1.7 O=C(Cl)C1CCCC1 HR129546 [0,0,0,1,0,0|1,0,0]=2 324 B8R1.7 O=C(Cl)N1CCCC1 HR142080 [0,0,0,1,0,0|2,0,0]=3 325 B8R1.7 O=C(O)C1C=CCN1 HR105555 [0,0,0,1,0,0|1,0,2]=4 326 B8R1.7 O=C(O)C1C=CCN1 HR117236 [0,0,0,1,0,0|1,0,2]=4 327 B8R1.7 O=C(O)C1CC=CC1 HR137833 [0,0,0,1,0,0|0,0,2]=3 328 B8R1.7 O=C(O)C1CCCC1 HR124454 [0,0,0,1,0,0|0,0,0]=1 329 B8R1.7 O=C(O)C1CCCN1 HR122958 [0,0,0,1,0,0|1,0,0]=2 330 B8R1.7 O=C(O)C1CCCN1 HR136921 [0,0,0,1,0,0|1,0,0]=2 331 B8R1.7 O=C(O)C1CCCN1 HR142963 [0,0,0,1,0,0|1,0,0]=2 332 B8R1.7 O=C(O)C1CCCN1 SASA03107 [0,0,0,1,0,0|1,0,0]=2 333 B8R1.7 O=C(O)C1CCCO1 HR129714 [0,0,0,1,0,0|1,0,0]=2 334 B8R1.7 O=C(O)C1CCCO1 HR135878 [0,0,0,1,0,0|1,0,0]=2 335 B8R1.7 O=C(O)C1CCCO1 HR136153 [0,0,0,1,0,0|1,0,0]=2 336 B8R1.7 O=C(O)C1CCNC1 HR110045 [0,0,0,1,0,0|1,0,0]=2 337 B8R1.7 O=C(O)C1CCNC1 HR124075 [0,0,0,1,0,0|1,0,0]=2 338 B8R1.7 O=C(O)C1CCNC1 HR139411 [0,0,0,1,0,0|1,0,0]=2 339 B8R1.7 O=C(O)C1CCNC1 HR16223 [0,0,0,1,0,0|1,0,0]=2 340 B8R1.7 O=C(O)C1CCOC1 HR109306 [0,0,0,1,0,0|1,0,0]=2 341 B8R1.7 O=C(O)C1CCOC1 HR110235 [0,0,0,1,0,0|1,0,0]=2 342 B8R1.7 O=C(O)C1CCOC1 HR111915 [0,0,0,1,0,0|1,0,0]=2 343 B8R1.7 O=C(O)C1CSCN1 HR136394 [0,0,0,1,0,0|2,0,0]=3 344 B8R1.7 O=C(O)C1CSCN1 HR137574 [0,0,0,1,0,0|2,0,0]=3 345 B8R1.7 O=C(O)C1NCCS1 HR146541 [0,0,0,1,0,0|2,0,0]=3 346 B8R1.7 OB(O)C1CCCC1 HR125876 [0,0,0,1,0,0|1,0,1]=3 347 B8R1.7 OB(O)C1CCOC1 HR114876 [0,0,0,1,0,0|2,0,1]=4 348 B8R1.7 S=C([S-])N1CCCC1 HR129801 [0,0,0,1,0,0|1,2,0]=4 349 B8R1.19 CC1CCOS1(=O)=O HR121223 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.22 BrC1CCCCCC1 HR128104 [0,0,0,1,0,0|2,0,1]=4 351 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,0,1,0,0|1,0,1]=3 352 B8R1.22 O=C1CCCCCN1 HR129512 [0,0,0,1,0,0|1,0,0]=2 353 B8R1.22 O=C1CCCCCO1 HR107144 [0,0,0,1,0,0|0,0,0]=1 354 B8R1.22 O=C1CCCCCO1 HR120205 [0,0,0,1,0,0|0,0,0]=1 355 B8R1.22 O=C1CCCNCC1 HR107777 [0,0,0,1,0,0|2,0,0]=3 356 B8R1.22 O=C1CCCNCC1 HR136701 [0,0,0,1,0,0|2,0,0]=3 357 B8R1.22 O=C1CCNCCN1 HR101958 [0,0,0,1,0,0|2,0,0]=3 358 B8R1.22 O=C1CCNCCN1 HR113359 [0,0,0,1,0,0|2,0,0]=3 359 B8R1.22 OC1CCCCCC1 HR122711 [0,0,0,1,0,0|1,0,1]=3 360 B8R1.22 OC1CCCNCC1 HR110756 [0,0,0,1,0,0|2,0,1]=4 361 B8R1.34 O=C(O)CC1CCC1 HR133624 [0,0,0,1,0,0|0,0,0]=1 362 B8R1.34 O=C(O)CC1COC1 HR145748 [0,0,0,1,0,0|1,0,0]=2 363 B8R1.35 O=C(O)CCC1CC1 HR105458 [0,0,0,1,0,0|0,0,0]=1 364 B8R1.36 BrCCCCC1CO1 HR120937 [0,0,0,1,0,0|2,0,1]=4 365 B8R1.36 CCCCCC1CO1 HR111230 [0,0,0,1,0,0|1,0,1]=3 366 B8R1.36 CCCCCC1CO1 HR111540 [0,0,0,1,0,0|1,0,1]=3 367 B8R1.72 CC1(O)CCCCC1 HR107824 [0,0,0,1,0,0|1,0,1]=3 368 B8R1.72 CC1(O)CCNCC1 TOSA04610 [0,0,0,1,0,0|2,0,1]=4 369 B8R1.72 CC1(O)CCOCC1 HR148162 [0,0,0,1,0,0|2,0,1]=4 370 B8R1.72 C[N+]1(C)CCCCC1 HR132856 [0,0,0,1,0,0|3,0,0]=4 371 B8R1.72 C[N+]1(C)CCCCC1 HR144058 [0,0,0,1,0,0|3,0,0]=4 372 B8R1.72 O=S1(=O)CCCCN1 HR32664 [0,0,0,1,0,0|2,0,1]=4 373 B8R1.72 O=S1(=O)CCNCC1 FISA07810 [0,0,0,1,0,0|2,0,1]=4 374 B8R1.72 O=S1(=O)CCNCC1 HR10420 [0,0,0,1,0,0|2,0,1]=4 375 B5R0.1 C#CCC(=O)O HR107056 [2,0,0,0,0,0|0,0,2]=4 376 B5R0.1 C=CCC(=O)O HR124911 [2,0,0,0,0,0|0,0,2]=4 377 B5R0.1 CC#CC(=O)O HR16226 [2,0,0,0,0,0|0,0,2]=4 378 B5R0.1 CC(=O)CCCl HR106274 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.1 CC(=O)CCO HR131203 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.1 CCCB(O)O HR138252 [2,0,0,0,0,0|1,0,1]=4 381 B5R0.1 CCCC(=N)N HR126811 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.1 CCCC(=O)Cl HR147587 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.1 CCCC(=O)[O-] HR129884 [2,0,0,0,0,0|0,0,1]=3 384 B5R0.1 CCCC(=O)[O-] HR137474 [2,0,0,0,0,0|0,0,1]=3 385 B5R0.1 CCCC(C)O HR136841 [2,0,0,0,0,0|1,0,1]=4 386 B5R0.1 CCCC(C)O HR137349 [2,0,0,0,0,0|1,0,1]=4 387 B5R0.1 CCCC(N)=O HR137715 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.1 CCNC(C)=O HR100775 [2,0,0,0,0,0|2,0,0]=4 389 B5R0.1 CCNC(N)=O HR126748 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.1 CCOC(=O)Cl IVSA07702 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.1 CCOC(N)=O HR123919 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.1 CCSC(C)=O HR138399 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.1 CNCC(=O)O HR132326 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.1 CNCC(=O)[O-] HR133335 [2,0,0,0,0,0|1,0,1]=4 395 B5R0.1 COCC(=O)Cl HR138385 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.1 COCC(=O)O HR137614 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.1 COCC(C)=O HR124731 [2,0,0,0,0,0|2,0,0]=4 398 B5R0.1 CSCC(C)=O HR104929 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.1 CSCC(N)=O HR105921 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.1 N#CCC(=O)O HR146964 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.1 NC(=O)CCO HR101159 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.1 NCCC(=O)O HR120135 [2,0,0,0,0,0|1,0,0]=3 403 B5R0.1 NCCC(=O)O HR136538 [2,0,0,0,0,0|1,0,0]=3 404 B5R0.1 NCCC(N)=O HR123050 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.1 NOCC(=O)O HR107090 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.1 O=C(Cl)CCBr HR132550 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.1 O=C(Cl)CCCl HR125686 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.1 O=C(O)CCBr HR146768 [2,0,0,0,0,0|1,0,0]=3 409 B5R0.1 O=C(O)CCI HR118002 [2,0,0,0,0,0|1,0,0]=3 410 B5R0.1 O=C(O)CCO HR12598 [2,0,0,0,0,0|1,0,0]=3 411 B5R0.1 O=C(O)CCS BACQ02107 [2,0,0,0,0,0|1,0,0]=3 412 B5R0.2 BrCCCCBr HR135783 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.2 C#CCCCO VIJL03307 [2,0,0,0,0,0|0,0,2]=4 414 B5R0.2 C=CCCCBr HR138516 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.2 C=CCCCN HR114551 [2,0,0,0,0,0|1,0,1]=4 416 B5R0.2 C=CCCCO HR127694 [2,0,0,0,0,0|0,0,2]=4 417 B5R0.2 C=COCCC HR122922 [2,0,0,0,0,0|1,0,1]=4 418 B5R0.2 CCC#CCO HR139189 [2,0,0,0,0,0|0,0,2]=4 419 B5R0.2 CCCCSC HR128739 [2,0,0,0,0,0|1,0,1]=4 420 B5R0.2 CCCC[Mg]Cl HR114410 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.2 CCCNCC HR129859 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.2 CCCSCC HR131098 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.2 CCNCCN HR124923 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.2 CCNCCO HR131326 [2,0,0,0,0,0|1,0,0]=3 425 B5R0.2 CCOCCBr HR147270 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.2 CCOCCCl HR125621 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.2 CCOCCN HR133098 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.2 CCOCCN HR141597 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.2 CCSCCCl HR138028 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.2 CC\C=C\C=O HR111713 [2,0,0,0,0,0|0,0,2]=4 431 B5R0.2 CC\C=C\C=O HR139459 [2,0,0,0,0,0|0,0,2]=4 432 B5R0.2 CNCCCN HR127543 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.2 COCCCBr HR11240 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.2 COCCCCl HR128474 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.2 COCCCN HR131273 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.2 COCCCO HR1936 [2,0,0,0,0,0|1,0,0]=3 437 B5R0.2 CSCCCCl HR118093 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.2 C\C=C\CCC HR121014 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.2 ClCCCCBr AZXF00302 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.2 ClCCCCI HR102777 [2,0,0,0,0,0|2,0,0]=4 441 B5R0.2 ICCCCI HR127157 [2,0,0,0,0,0|2,0,0]=4 442 B5R0.2 N#CCCC=O HR111731 [2,0,0,0,0,0|1,0,1]=4 443 B5R0.2 NCCCCBr HR148711 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.2 NCCCCN HR123185 [2,0,0,0,0,0|2,0,0]=4 445 B5R0.2 NCCCCO HR105259 [2,0,0,0,0,0|1,0,0]=3 446 B5R0.2 O=CCCC=O HR100601 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.2 O=COCCO HR145529 [2,0,0,0,0,0|2,0,0]=4 448 B5R0.2 OCCCCCl HR129662 [2,0,0,0,0,0|1,0,0]=3 449 B5R0.2 SCCCCS HR128290 [2,0,0,0,0,0|1,1,0]=4 450 B7R0.2 CCC(=O)CC(C)=O HR133940 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.2 CCC(C)CC(=O)O HR11273 [1,1,0,0,0,0|0,0,0]=2 452 B7R0.2 CCC(C)CC(=O)O HR135865 [1,1,0,0,0,0|0,0,0]=2 453 B7R0.2 CCC(C)NC(N)=O HR114250 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.2 CCC(N)CC(=O)O HR114631 [1,1,0,0,0,0|0,0,0]=2 456 B7R0.2 CCC(N)CC(=O)O HR143295 [1,1,0,0,0,0|0,0,0]=2 457 B7R0.2 CCC(N)CC(=O)O HR147022 [1,1,0,0,0,0|0,0,0]=2 458 B7R0.2 NCC(O)CC(=O)O HR137304 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.3 C=CC(=O)OCCC HR144889 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.3 CCCCC(=O)NN HR113250 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.3 CCCCC(O)CC HR100535 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.3 CCCCC(O)CO HR100017 [1,1,0,0,0,0|0,0,2]=4 464 B7R0.3 CCCC\C(C)=N/O HR101112 [1,1,0,0,0,0|1,0,0]=3 465 B7R0.3 CCCOC(=O)CC HR127273 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.3 COC(=O)CCC#N HR113384 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.3 COC(=O)CCC=O HR116651 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.3 COC(=O)CCCBr HR134912 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.3 COC(=O)CCCCl HR131361 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.3 COC(=O)CCCN HR105959 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.3 COCCC(=O)OC HR130750 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.3 C\C=C\CC(=O)OC HR127455 [1,1,0,0,0,0|0,0,2]=4 473 B7R0.5 C#CCC(N)C(=O)O HR133685 [1,1,0,0,0,0|0,0,2]=4 474 B7R0.5 C#CCC(N)C(=O)O HR135675 [1,1,0,0,0,0|0,0,2]=4 475 B7R0.5 C#CCC(N)C(=O)O HR135939 [1,1,0,0,0,0|0,0,2]=4 476 B7R0.5 C=CCC(C)C(=O)O HR143156 [1,1,0,0,0,0|0,0,2]=4 477 B7R0.5 C=CCC(N)C(=O)O HR106860 [1,1,0,0,0,0|0,0,2]=4 478 B7R0.5 C=CCC(N)C(=O)O HR119232 [1,1,0,0,0,0|0,0,2]=4 479 B7R0.5 C=CCC(N)C(=O)O HR134381 [1,1,0,0,0,0|0,0,2]=4 480 B7R0.5 C=CCC(N)C(=O)O HR136466 [1,1,0,0,0,0|0,0,2]=4 481 B7R0.5 C=CCC(N)C(=O)O HR138518 [1,1,0,0,0,0|0,0,2]=4 482 B7R0.5 CCCC(=O)C(=O)O HR138596 [1,1,0,0,0,0|0,0,1]=3 483 B7R0.5 CCCC(=O)C(C)=O HR139186 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.5 CCCC(Br)C(=O)Cl HR140278 [1,1,0,0,0,0|1,0,0]=3 485 B7R0.5 CCCC(Br)C(=O)O HR114924 [1,1,0,0,0,0|0,0,0]=2 486 B7R0.5 CCCC(C)C(=O)O HR131664 [1,1,0,0,0,0|0,0,0]=2 487 B7R0.5 CCCC(N)C(=O)O HR122649 [1,1,0,0,0,0|0,0,0]=2 488 B7R0.5 CCCC(N)C(=O)O HR136723 [1,1,0,0,0,0|0,0,0]=2 489 B7R0.5 CCCC(N)C(=O)O HR138486 [1,1,0,0,0,0|0,0,0]=2 490 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [1,1,0,0,0,0|0,0,2]=4 491 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [1,1,0,0,0,0|0,0,2]=4 492 B7R0.5 CNCC(N)C(=O)O HR146211 [1,1,0,0,0,0|1,0,0]=3 493 B7R0.5 COCC(N)C(=O)O HR108882 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.5 COCC(N)C(=O)O HR109701 [1,1,0,0,0,0|1,0,0]=3 495 B7R0.5 COCC(N)C(=O)O HR110015 [1,1,0,0,0,0|1,0,0]=3 496 B7R0.5 COCC(N)C(=O)O HR115078 [1,1,0,0,0,0|1,0,0]=3 497 B7R0.5 COCC(N)C(=O)O HR115700 [1,1,0,0,0,0|1,0,0]=3 498 B7R0.5 CSCC(N)C(=O)O HR134174 [1,1,0,0,0,0|1,0,0]=3 499 B7R0.5 NC(CCBr)C(=O)O HR102483 [1,1,0,0,0,0|1,0,0]=3 500 B7R0.5 NC(CCO)C(=O)O HR122160 [1,1,0,0,0,0|1,0,0]=3 501 B7R0.5 NC(CCO)C(=O)O HR127129 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.5 NC(CCO)C(=O)O HR129910 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.5 NC(CCS)C(=O)O HR100636 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.5 NC(CCS)C(=O)O HR137923 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.5 NCCC(N)C(=O)O HR112825 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.5 NCCC(N)C(=O)O HR14752 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.5 O=C(Cl)C(Br)CCBr HR119984 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.5 O=C(O)C(Br)CCBr HR138979 [1,1,0,0,0,0|1,0,0]=3 509 B7R0.6 CC(=O)CCC(=O)O HR127576 [1,1,0,0,0,0|0,0,1]=3 510 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [1,1,0,0,0,0|0,0,2]=4 511 B7R0.6 CC(=O)CCC(C)=O HR125376 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.6 CC(=O)NCC(=O)O HR138579 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.6 CC(=O)OCC(=O)O HR120464 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.6 CC(C)=CCC(=O)O HR108591 [1,1,0,0,0,0|0,0,2]=4 515 B7R0.6 CC(C)CCB(O)O HR142030 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.6 CC(C)CCC(=O)Cl HR101969 [1,1,0,0,0,0|1,0,0]=3 517 B7R0.6 CC(C)CCC(=O)O HR141883 [1,1,0,0,0,0|0,0,0]=2 518 B7R0.6 CC(O)CCC(C)O HR127516 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.6 CC(O)CCC(C)O HR141439 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.6 CC(O)CCC(C)O HR141535 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.6 CN(C)CCC(=O)O HR114553 [1,1,0,0,0,0|1,0,0]=3 522 B7R0.6 CN(C)CCC(=O)O HR147791 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.6 C[S+](C)CCC(=O)O HR107679 [1,1,0,0,0,0|1,0,0]=3 524 B7R0.6 C[S+](C)CCC(=O)[O-] HR144459 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.6 O=C(O)CCC(=O)O HR128111 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.6 O=C(O)CCC(=O)O HR135208 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.6 O=C(O)CC[N+](=O)[O-] HR32205 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.8 CCCCS(=O)(=O)Cl HR127615 [1,1,0,0,0,0|1,0,1]=4 529 B7R0.8 CCCCS(=O)(=O)[O-] HR117571 [1,1,0,0,0,0|1,0,1]=4 530 B7R0.8 CCCC[Sn](O)(O)Cl HR130661 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.8 CNCCS(=O)(=O)O HR134537 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.8 NCCCP(=O)(O)O HR10325 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.8 NCCCS(=O)(=O)O HR126402 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.8 O=P(O)(O)CCCBr HR129695 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.8 O=S(=O)(O)CCCO HR123153 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.1 BrCCCCCCBr HR134505 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.1 C#CCCCCCO HR13080 [1,1,0,0,0,0|0,0,2]=4 538 B7R0.1 C=CCCCCCBr HR101918 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.1 C=CCCCCCCl HR110714 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.1 C=CCCCCNC HR139130 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.1 C=CCOCCCC HR129962 [1,1,0,0,0,0|1,0,0]=3 542 B7R0.1 C=CCSSCCC HR124235 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.1 C=COCCCCO HR134521 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.1 CCCCC#CCO HR136816 [1,1,0,0,0,0|0,0,2]=4 545 B7R0.1 CCCCCCCBr HR134594 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.1 CCCCCCCCl HR120915 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.1 CCCCCCCI HR126873 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.1 CCCCCCCO HR135329 [1,1,0,0,0,0|0,0,1]=3 549 B7R0.1 CCCCCCCS HR126629 [1,1,0,0,0,0|0,1,1]=4 550 B7R0.1 CCCCCC[Mg]Br HR108941 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.1 CCCCCC[Mg]Cl HR110838 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.1 CCCCCN=C=O HR115565 [1,1,0,0,0,0|0,0,1]=3 553 B7R0.1 CCCCNCCO HR101726 [1,1,0,0,0,0|0,0,1]=3 554 B7R0.1 CCCCOCCCl HR133392 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.1 CCCC\C=C\C=O HR129000 [1,1,0,0,0,0|0,0,1]=3 556 B7R0.1 CCCNCCCN HR100474 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.1 CCCNCCOC HR103597 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.1 CCOCCCCCl HR130559 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.1 CC\C=C\CCCC HR100327 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.1 CC\C=C\CCCO HR144605 [1,1,0,0,0,0|0,0,2]=4 561 B7R0.1 COCCOCCO HR127002 [1,1,0,0,0,0|1,0,1]=4 562 B7R0.1 ClCCCCCCBr HR126311 [1,1,0,0,0,0|1,0,1]=4 563 B7R0.1 ClCCCCCCCl HR135348 [1,1,0,0,0,0|1,0,1]=4 564 B7R0.1 FCCCCCCBr HR144938 [1,1,0,0,0,0|1,0,1]=4 565 B7R0.1 N#CCCCCCBr HR113799 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.1 NCCCCCCN HR128708 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.1 NCCCCCCO HR113176 [1,1,0,0,0,0|0,0,1]=3 568 B7R0.1 NCCCNCCO HR135493 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.1 O=CCCCCC=O HR122196 [1,1,0,0,0,0|0,0,1]=3 570 B7R0.1 OCCCCCCBr HR132457 [1,1,0,0,0,0|0,0,1]=3 571 B7R0.1 OCCCCCCCl HR127389 [1,1,0,0,0,0|0,0,1]=3 572 B7R0.1 OCCCCCCO HR126915 [1,1,0,0,0,0|0,0,1]=3 573 B7R0.1 OCCCCCCS HR108497 [1,1,0,0,0,0|0,0,1]=3 574 B7R0.1 SCCCCCCS HR125411 [1,1,0,0,0,0|0,1,1]=4 575 B7R0.7 CC(CCO)CCO HR143828 [1,1,0,0,0,0|1,0,1]=4 576 B7R0.7 CCCC(Br)CCC HR101804 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.7 CCCC(C)CCO HR101631 [1,1,0,0,0,0|0,0,1]=3 578 B7R0.7 CCCC(N)CCC HR105135 [1,1,0,0,0,0|1,0,1]=4 579 B7R0.7 CCCC(S)CCO HR131891 [1,1,0,0,0,0|0,0,1]=3 580 B9R0.4 CCCCC(C)CC(=O)O HR107516 [0,2,0,0,0,0|0,0,0]=2 581 B9R0.4 CCOCC(C)OC(C)=O HR111309 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.6 CCOC(C)C(N)C(=O)O HR142223 [0,2,0,0,0,0|1,0,0]=3 583 B9R0.23 COC(=O)C(N)CC(=O)O HR102461 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.23 COC(=O)C(N)CC(=O)O HR129643 [0,2,0,0,0,0|1,0,1]=4 585 B9R0.23 COC(=O)C(N)CC(=O)O HR144063 [0,2,0,0,0,0|1,0,1]=4 586 B9R0.34 CCCC(=O)CC(=O)OC HR142969 [0,2,0,0,0,0|0,0,1]=3 587 B9R0.34 COCC(=O)CC(=O)OC CAJB01105 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.53 CC(=O)CC(=O)CC(C)C HR120010 [0,2,0,0,0,0|1,0,1]=4 589 B9R0.53 CC(C)CC(N)CC(=O)O HR135813 [0,2,0,0,0,0|0,0,0]=2 590 B9R0.53 CC(CC(=O)O)CC(=O)O HR135338 [0,2,0,0,0,0|1,0,1]=4 591 B9R0.1 CC\C(C)=C/CCC(C)=O HR145625 [0,2,0,0,0,0|1,0,1]=4 592 B9R0.1 COC(=O)CCCC(=O)Cl HR123243 [0,2,0,0,0,0|1,0,1]=4 593 B9R0.1 COC(=O)CCCC(=O)O HR129096 [0,2,0,0,0,0|0,0,1]=3 594 B9R0.1 COC(C)CCOC(=O)Cl HR144813 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.5 CCCCCC(O)CCC HR100209 [0,2,0,0,0,0|1,0,1]=4 596 B9R0.5 CCCCOC(=O)CC#N HR124420 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.5 CCCCOC(=O)CCS HR144609 [0,2,0,0,0,0|1,1,0]=4 598 B9R0.5 CCC\C=C\C(=O)OCC HR127011 [0,2,0,0,0,0|0,0,2]=4 599 B9R0.5 CCOC(=O)CCCCBr HR125890 [0,2,0,0,0,0|1,0,0]=3 600 B9R0.5 CCOC(=O)CCCCN HR148504 [0,2,0,0,0,0|1,0,0]=3 601 B9R0.5 CCOC(=O)COCCCl HR134831 [0,2,0,0,0,0|2,0,0]=4 602 B9R0.5 CCOCCC(=O)OCC HR122912 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.5 CC\C=C\CC(=O)OCC HR143249 [0,2,0,0,0,0|0,0,2]=4 604 B9R0.8 CCCCC(Br)C(=O)OC HR132410 [0,2,0,0,0,0|0,0,0]=2 605 B9R0.8 COC(=O)C(Br)CCCBr HR129039 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.8 COC(=O)C(N)CCCN HR136754 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.8 COC(=O)C(N)CCSC HR131630 [0,2,0,0,0,0|1,0,0]=3 608 B9R0.8 COC(=O)C(N)CCSC HR144422 [0,2,0,0,0,0|1,0,0]=3 609 B9R0.8 CSCCC(N)C(=O)O[Zn+] HR127786 [0,2,0,0,0,0|1,0,0]=3 610 B9R0.24 CCC(=O)CCC(=O)CC HR111827 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.24 CCC(=O)OCC(C)CC HR123055 [0,2,0,0,0,0|2,0,0]=4 612 B9R0.24 CCC(O)CCC(O)CC HR139878 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.24 COC(=O)CCC(=O)CN HR139036 [0,2,0,0,0,0|1,0,1]=4 614 B9R0.24 COC(=O)CCC(=O)CN HR139382 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.24 COC(=O)CCC(=O)OC HR133663 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.46 C=CC(=O)OCCCCO HR100523 [0,2,0,0,0,0|2,0,0]=4 617 B9R0.46 C=CC(=O)OCCOCC HR128339 [0,2,0,0,0,0|2,0,0]=4 618 B9R0.46 CCCCCCC(=O)CC HR118308 [0,2,0,0,0,0|1,0,0]=3 619 B9R0.46 CCCCCCC(=O)OC HR101427 [0,2,0,0,0,0|0,0,0]=2 620 B9R0.46 CCCCCCC(O)CO HR136174 [0,2,0,0,0,0|0,0,2]=4 621 B9R0.46 CCCCCNC(=N)NN HR140568 [0,2,0,0,0,0|2,0,0]=4 622 B9R0.46 CCCCCOC(=S)S[K] HR130269 [0,2,0,0,0,0|0,2,0]=4 623 B9R0.46 COC(=O)CCCCCBr HR126143 [0,2,0,0,0,0|0,0,0]=2 624 B9R0.46 COC(=O)CCCCCN HR147662 [0,2,0,0,0,0|0,0,0]=2 625 B9R0.47 C#CCSCC(N)C(=O)O HR148839 [0,2,0,0,0,0|0,0,2]=4 626 B9R0.47 C=CCCCC(N)C(=O)O HR107176 [0,2,0,0,0,0|0,0,1]=3 627 B9R0.47 C=CCSCC(N)C(=O)O HR115893 [0,2,0,0,0,0|0,0,2]=4 628 B9R0.47 CCCCCC(Br)C(=O)Cl HR101141 [0,2,0,0,0,0|1,0,0]=3 629 B9R0.47 CCCCCC(Br)C(=O)O HR100110 [0,2,0,0,0,0|0,0,0]=2 630 B9R0.47 CCCCCC(C)C(=O)O HR134298 [0,2,0,0,0,0|0,0,0]=2 631 B9R0.47 CCCCNC(=O)N(C)C HR145345 [0,2,0,0,0,0|2,0,0]=4 632 B9R0.47 CCCCOC(=O)C(C)=O HR124899 [0,2,0,0,0,0|1,0,1]=4 633 B9R0.47 CCCCOC(=O)C(C)C HR144880 [0,2,0,0,0,0|2,0,0]=4 634 B9R0.47 CCCCOC(=O)C(C)O HR123058 [0,2,0,0,0,0|1,0,0]=3 635 B9R0.47 CCCCOC(C)C(=O)O HR118656 [0,2,0,0,0,0|0,0,0]=2 636 B9R0.47 CCSCCC(N)C(=O)O HR126680 [0,2,0,0,0,0|0,0,0]=2 637 B9R0.47 CCSCCC(N)C(=O)O HR141385 [0,2,0,0,0,0|0,0,0]=2 638 B9R0.47 NC(CSCCO)C(=O)O HR140495 [0,2,0,0,0,0|1,0,0]=3 639 B9R0.47 NC(CSCCO)C(=O)O HR143002 [0,2,0,0,0,0|1,0,0]=3 640 B9R0.47 NCCCCC(N)C(=O)O HR101720 [0,2,0,0,0,0|0,0,0]=2 641 B9R0.47 NCCCCC(N)C(=O)O HR116209 [0,2,0,0,0,0|0,0,0]=2 642 B9R0.47 NCCCCC(N)C(=O)O HR123265 [0,2,0,0,0,0|0,0,0]=2 643 B9R0.47 NCCCCC(N)C(=O)O HR123541 [0,2,0,0,0,0|0,0,0]=2 644 B9R0.47 NCCCCC(N)C(=O)O HR126863 [0,2,0,0,0,0|0,0,0]=2 645 B9R0.47 NCCCCC(N)C(=O)O HR127945 [0,2,0,0,0,0|0,0,0]=2 646 B9R0.47 NCCCCC(N)C(=O)O HR129957 [0,2,0,0,0,0|0,0,0]=2 647 B9R0.47 NCCCCC(N)C(=O)O HR132817 [0,2,0,0,0,0|0,0,0]=2 648 B9R0.47 NCCCCC(N)C(=O)O HR133918 [0,2,0,0,0,0|0,0,0]=2 649 B9R0.47 NCCCCC(N)C(=O)O HR138275 [0,2,0,0,0,0|0,0,0]=2 650 B9R0.47 NCCCCC(N)C(=O)O HR138539 [0,2,0,0,0,0|0,0,0]=2 651 B9R0.47 NCCCCC(N)C(=O)O HR143917 [0,2,0,0,0,0|0,0,0]=2 652 B9R0.47 NCCCCC(N)C(=O)O HR7967 [0,2,0,0,0,0|0,0,0]=2 653 B9R0.50 CCCCCC(CO)CO HR122613 [0,2,0,0,0,0|0,0,2]=4 654 B9R0.2 CC(=O)OCCCCCBr HR100599 [0,2,0,0,0,0|1,0,0]=3 655 B9R0.2 CC(=O)OCCCCCCl HR101013 [0,2,0,0,0,0|1,0,0]=3 656 B9R0.2 CCCCCCCB(O)O HR112570 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.2 CCCCCCCC(=O)O HR125696 [0,2,0,0,0,0|0,0,0]=2 658 B9R0.2 CCCCCCCC(=O)[O-] HR101315 [0,2,0,0,0,0|0,0,1]=3 659 B9R0.2 CCCCCCCC(=O)[O-] HR130385 [0,2,0,0,0,0|0,0,1]=3 660 B9R0.2 CCCCCCCC(=O)[O-] HR139652 [0,2,0,0,0,0|0,0,1]=3 661 B9R0.2 CCCCCCCC(C)=O HR133915 [0,2,0,0,0,0|1,0,0]=3 662 B9R0.2 CCCCCCCC(C)O HR140839 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.2 CCCCCCOC(=O)Cl HR102112 [0,2,0,0,0,0|1,0,0]=3 664 B9R0.2 CCCCC\C=C\C(C)=O HR136203 [0,2,0,0,0,0|1,0,0]=3 665 B9R0.2 CCC\C=C\COC(C)=O HR112120 [0,2,0,0,0,0|1,0,1]=4 666 B9R0.2 CC\C=C\CCOC(C)=O HR130251 [0,2,0,0,0,0|1,0,1]=4 667 B9R0.2 NCCCCCCC(=O)O HR120322 [0,2,0,0,0,0|0,0,0]=2 668 B9R0.2 NCCCCCCC(=O)O HR132733 [0,2,0,0,0,0|0,0,0]=2 669 B9R0.2 NOCCCCCC(=O)O HR102975 [0,2,0,0,0,0|0,0,0]=2 670 B9R0.2 O=C(O)CCCCCCBr HR122210 [0,2,0,0,0,0|0,0,0]=2 671 B9R0.2 O=C(O)CCCCCCO HR139793 [0,2,0,0,0,0|0,0,0]=2 672 B9R0.38 CCCCCCC(C)(C)O HR130878 [0,2,0,0,0,0|1,0,1]=4 673 B9R0.38 CCCCCCS(=O)(=O)Cl HR141500 [0,2,0,0,0,0|1,0,1]=4 674 B9R0.38 CCCCCCS(=O)(=O)O HR135176 [0,2,0,0,0,0|1,0,0]=3 675 B9R0.38 CCCCCCS(=O)(=O)[O-] HR100388 [0,2,0,0,0,0|1,0,1]=4 676 B9R0.38 CCCCCCS(=O)(=O)[O-] HR123677 [0,2,0,0,0,0|1,0,1]=4 677 B9R0.38 CCCCCOP(=O)(O)O HR104357 [0,2,0,0,0,0|1,0,0]=3 678 B9R0.48 CCOC(=O)CCC(=O)Cl HR129703 [0,2,0,0,0,0|1,0,1]=4 679 B9R0.48 CCOC(=O)CCC(=O)[O-] HR131805 [0,2,0,0,0,0|0,0,2]=4 680 B9R0.48 CCOC(=O)CCC(C)=O HR131025 [0,2,0,0,0,0|1,0,1]=4 681 B9R0.55 CC(=O)CCCCC(=O)O HR100799 [0,2,0,0,0,0|0,0,0]=2 682 B9R0.55 CC(=O)NCCCC(=O)O HR115016 [0,2,0,0,0,0|0,0,1]=3 683 B9R0.55 CC(C)CCCCC(=O)O HR141572 [0,2,0,0,0,0|0,0,0]=2 684 B9R0.55 CC(C)CCCCC(=O)[O-] HR103452 [0,2,0,0,0,0|0,0,1]=3 685 B9R0.55 CC(C)CCCCC(=O)[O-] HR143901 [0,2,0,0,0,0|0,0,1]=3 686 B9R0.55 O=C(O)CCCCC(=O)O HR127775 [0,2,0,0,0,0|0,0,1]=3 687 B9R0.55 O=C(O)CCCCC(=O)O HR137867 [0,2,0,0,0,0|0,0,1]=3 688 B9R0.55 O=C([O-])CCCCC(=O)[O-] HR101249 [0,2,0,0,0,0|0,0,2]=4 689 B9R0.55 O=C([O-])CCCCC(=O)[O-] HR123189 [0,2,0,0,0,0|0,0,2]=4 690 B9R0.7 CC(=O)OCC(N)C(=O)O HR139137 [0,2,0,0,0,0|1,0,1]=4 691 B9R0.7 CC(=O)SCC(C)C(=O)O HR133969 [0,2,0,0,0,0|1,0,1]=4 692 B9R0.7 CC(=O)SCC(C)C(=O)O HR145506 [0,2,0,0,0,0|1,0,1]=4 693 B9R0.7 CC(C)CCC(N)C(=O)O HR144426 [0,2,0,0,0,0|0,0,0]=2 694 B9R0.7 CC(CCC(=O)O)C(=O)O HR145824 [0,2,0,0,0,0|1,0,1]=4 695 B9R0.7 CC(CCC(=O)O)C(=O)O HR145825 [0,2,0,0,0,0|1,0,1]=4 696 B9R0.7 CC(CCC(=O)O)C(=O)O HR145826 [0,2,0,0,0,0|1,0,1]=4 697 B9R0.7 CC(Cl)C(=O)NCC(=O)O HR133847 [0,2,0,0,0,0|1,0,1]=4 698 B9R0.7 CC(S)C(=O)NCC(=O)O HR137424 [0,2,0,0,0,0|1,0,1]=4 699 B9R0.7 CN(C)C(=O)CCC(=O)O HR103778 [0,2,0,0,0,0|1,0,1]=4 700 B9R0.7 CS(=O)CCC(N)C(=O)O HR111901 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.7 CS(=O)CCC(N)C(=O)O HR140530 [0,2,0,0,0,0|1,0,0]=3 702 B9R0.7 C[S+](C)CCC(N)C(=O)O HR141889 [0,2,0,0,0,0|1,0,0]=3 703 B9R0.7 NC(=O)CCC(N)C(=O)O HR120771 [0,2,0,0,0,0|1,0,1]=4 704 B9R0.7 NC(=O)CCC(N)C(=O)O HR124237 [0,2,0,0,0,0|1,0,1]=4 705 B9R0.7 NC(=O)CCC(N)C(=O)O HR131835 [0,2,0,0,0,0|1,0,1]=4 706 B9R0.7 NC(=O)CCC(N)C(=O)O HR133670 [0,2,0,0,0,0|1,0,1]=4 707 B9R0.7 NC(CCC(=O)O)B(O)O HR32502 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.7 NC(CCC(=O)O)B(O)O HR32503 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.7 NC(CCC(=O)O)C(=O)O HR126593 [0,2,0,0,0,0|1,0,1]=4 710 B9R0.7 NC(CCC(=O)O)C(=O)O HR129986 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.7 NC(CCC(=O)O)C(=O)O HR130515 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.7 NC(CCC(=O)O)C(=O)O HR131250 [0,2,0,0,0,0|1,0,1]=4 713 B9R0.7 NC(CCC(=O)O)C(=O)O HR132775 [0,2,0,0,0,0|1,0,1]=4 714 B9R0.7 NC(CCC(=O)O)C(=O)O HR133402 [0,2,0,0,0,0|1,0,1]=4 715 B9R0.7 NC(CCC(=O)O)C(=O)O HR137048 [0,2,0,0,0,0|1,0,1]=4 716 B9R0.7 NC(CCC(=O)O)C(=O)[O-] HR129303 [0,2,0,0,0,0|1,0,1]=4 717 B9R0.7 NC(CCC(=O)O)C(=O)[O-] HR129994 [0,2,0,0,0,0|1,0,1]=4 718 B9R0.7 O=C(O)CCC(O)C(=O)O HR145130 [0,2,0,0,0,0|1,0,1]=4 719 B9R0.13 CCCCC(CC)C(=O)Cl HR127161 [0,2,0,0,0,0|1,0,0]=3 720 B9R0.13 CCCCC(CC)C(=O)O HR136822 [0,2,0,0,0,0|0,0,0]=2 721 B9R0.13 CCCCC(CC)C(=O)[O-] HR123660 [0,2,0,0,0,0|0,0,1]=3 722 B9R0.13 CCCCC(CC)C(=O)[O-] HR124197 [0,2,0,0,0,0|0,0,1]=3 723 B9R0.13 CCCCC(CC)C(=O)[O-] HR125577 [0,2,0,0,0,0|0,0,1]=3 724 B9R0.13 CCCCC(CC)C(=O)[O-] HR127819 [0,2,0,0,0,0|0,0,1]=3 725 B9R0.13 CCCCC(CC)C(=O)[O-] HR128285 [0,2,0,0,0,0|0,0,1]=3 726 B9R0.13 CCCCC(CC)C(=O)[O-] HR131557 [0,2,0,0,0,0|0,0,1]=3 727 B9R0.13 CCCCC(CC)C(=O)[O-] HR131824 [0,2,0,0,0,0|0,0,1]=3 728 B9R0.13 CCCCC(CO)C(=O)O HR145751 [0,2,0,0,0,0|0,0,0]=2 729 B9R0.42 COC(=O)CC(C)C(=O)O HR145793 [0,2,0,0,0,0|1,0,1]=4 730 B9R0.42 COC(=O)CC(C)C(=O)O HR145794 [0,2,0,0,0,0|1,0,1]=4 731 B9R0.42 COC(=O)CC(N)C(=O)O HR126403 [0,2,0,0,0,0|1,0,1]=4 732 B9R0.42 COC(=O)CC(N)C(=O)O HR133636 [0,2,0,0,0,0|1,0,1]=4 733 B9R0.42 COC(=O)CC(N)C(=O)O HR144163 [0,2,0,0,0,0|1,0,1]=4 734 B9R0.51 CCCCC(C)(C)C(=O)O HR132583 [0,2,0,0,0,0|0,0,0]=2 735 B9R0.51 CCCCC(F)(F)C(=O)O HR150459 [0,2,0,0,0,0|0,0,0]=2 736 B9R0.43 CCN(CC)CCC(C)=O HR104741 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.56 CC(C)CCCC(C)(C)O HR113703 [0,2,0,0,0,0|1,0,1]=4 738 B9R0.56 CC(N)CCCC(C)(C)O HR140033 [0,2,0,0,0,0|1,0,1]=4 739 B9R0.56 C[N+](C)(C)CCCC(=O)O HR119588 [0,2,0,0,0,0|1,0,0]=3 740 B9R0.56 NS(=O)(=O)CCCC(=O)O HR113620 [0,2,0,0,0,0|2,0,0]=4 741 B7R1.2 CC1=CC(=O)CC1 HR137516 [1,0,0,1,0,0|1,0,1]=4 742 B7R1.2 CC1=CCC(=O)O1 HR136942 [1,0,0,1,0,0|0,0,2]=4 743 B7R1.2 CC1CCC(=O)O1 HR126256 [1,0,0,1,0,0|0,0,0]=2 744 B7R1.2 CC1CNC(=O)C1 HR146359 [1,0,0,1,0,0|2,0,0]=4 745 B7R1.2 CC1CNC(=O)C1 HR146360 [1,0,0,1,0,0|2,0,0]=4 746 B7R1.2 CC1CNC(=O)C1 HR146369 [1,0,0,1,0,0|2,0,0]=4 747 B7R1.2 CC1COC(=O)O1 HR125363 [1,0,0,1,0,0|1,0,0]=3 748 B7R1.2 CC1COC(=O)O1 HR128407 [1,0,0,1,0,0|1,0,0]=3 749 B7R1.2 CC1COC(=O)O1 HR129273 [1,0,0,1,0,0|1,0,0]=3 750 B7R1.2 CN1CCC(=O)C1 HR102484 [1,0,0,1,0,0|2,0,0]=4 751 B7R1.2 NC1CCC(=O)C1 HR145995 [1,0,0,1,0,0|2,0,0]=4 752 B7R1.2 O=C1CCC(=O)O1 HR135468 [1,0,0,1,0,0|1,0,1]=4 753 B7R1.2 O=C1OCC(Cl)O1 HR123970 [1,0,0,1,0,0|2,0,0]=4 754 B7R1.2 O=C1OCC(F)O1 HR135652 [1,0,0,1,0,0|2,0,0]=4 755 B7R1.3 BrC1=CCCCC1 HR156605 [1,0,0,1,0,0|2,0,0]=4 756 B7R1.3 CC1=CCCCC1 HR143913 [1,0,0,1,0,0|2,0,0]=4 757 B7R1.3 ClC1=CCCCC1 HR129641 [1,0,0,1,0,0|2,0,0]=4 758 B7R1.3 O=C1C=CCCC1 HR146309 [1,0,0,1,0,0|1,0,1]=4 759 B7R1.3 O=C1CCCCC1 SIJL01002 [1,0,0,1,0,0|1,0,0]=3 760 B7R1.3 O=C1CCCCN1 HR126393 [1,0,0,1,0,0|1,0,0]=3 761 B7R1.3 O=C1CCCCO1 HR128412 [1,0,0,1,0,0|0,0,0]=2 762 B7R1.3 O=C1CCCNC1 HR108093 [1,0,0,1,0,0|2,0,0]=4 763 B7R1.3 O=C1CCCNC1 HR116769 [1,0,0,1,0,0|2,0,0]=4 764 B7R1.3 O=C1CCCOC1 HR104744 [1,0,0,1,0,0|2,0,0]=4 765 B7R1.3 O=C1CCNCC1 CESA03001 [1,0,0,1,0,0|2,0,0]=4 766 B7R1.3 O=C1CCNCC1 HR105315 [1,0,0,1,0,0|2,0,0]=4 767 B7R1.3 O=C1CCNCC1 HR7756 [1,0,0,1,0,0|2,0,0]=4 768 B7R1.3 O=C1CCOCC1 HR9557 [1,0,0,1,0,0|2,0,0]=4 769 B7R1.3 O=C1CCSCC1 HR123861 [1,0,0,1,0,0|2,0,0]=4 770 B7R1.3 O=C1CC[NH2+]CC1 HR127185 [1,0,0,1,0,0|2,0,0]=4 771 B7R1.3 O=C1CNCCN1 HR132423 [1,0,0,1,0,0|2,0,0]=4 772 B7R1.3 O=C1CNCCO1 HR30209 [1,0,0,1,0,0|1,0,0]=3 773 B7R1.3 O=C1COCCN1 HR115059 [1,0,0,1,0,0|2,0,0]=4 774 B7R1.3 O=C1COCCO1 HR127683 [1,0,0,1,0,0|1,0,0]=3 775 B7R1.3 O=C1CSCCN1 HR147732 [1,0,0,1,0,0|2,0,0]=4 776 B7R1.3 O=C1NCCCN1 HR123216 [1,0,0,1,0,0|2,0,0]=4 777 B7R1.3 O=S1OCCCO1 HR134327 [1,0,0,1,0,0|2,0,0]=4 778 B7R1.3 OC1CCCCC1 HR122340 [1,0,0,1,0,0|1,0,1]=4 779 B7R1.3 ON1CCCCC1 HR106287 [1,0,0,1,0,0|2,0,0]=4 780 B7R1.10 COC1CC(=O)C1 HR114228 [1,0,0,1,0,0|2,0,0]=4 781 B7R1.10 O=C1CC(CBr)C1 HR119561 [1,0,0,1,0,0|2,0,0]=4 782 B7R1.10 O=C1CC(CCl)C1 HR119882 [1,0,0,1,0,0|2,0,0]=4 783 B7R1.10 O=C1CC(CO)C1 HR103458 [1,0,0,1,0,0|2,0,0]=4 784 B7R1.14 CC1(O)CCCC1 HR125170 [1,0,0,1,0,0|1,0,1]=4 785 B7R1.14 O=S1(=O)CCCC1 HR100013 [1,0,0,1,0,0|1,0,1]=4 786 B7R1.18 CC(=O)C1CCC1 HR143826 [1,0,0,1,0,0|1,0,0]=3 787 B7R1.18 CC(O)C1CCC1 HR147156 [1,0,0,1,0,0|1,0,1]=4 788 B7R1.18 NC(=O)C1CCN1 HR115575 [1,0,0,1,0,0|2,0,0]=4 789 B7R1.18 O=C(Cl)C1CCC1 HR129809 [1,0,0,1,0,0|1,0,0]=3 790 B7R1.18 O=C(O)C1CCC1 HR136661 [1,0,0,1,0,0|0,0,0]=2 791 B7R1.18 O=C(O)C1CCN1 HR103406 [1,0,0,1,0,0|1,0,0]=3 792 B7R1.18 O=C(O)C1CCN1 HR106573 [1,0,0,1,0,0|1,0,0]=3 793 B7R1.18 O=C(O)C1CCN1 HR118789 [1,0,0,1,0,0|1,0,0]=3 794 B7R1.18 O=C(O)C1CCN1 HR127792 [1,0,0,1,0,0|1,0,0]=3 795 B7R1.18 O=C(O)C1CCN1 HR132187 [1,0,0,1,0,0|1,0,0]=3 796 B7R1.18 O=C(O)C1CCN1 HR138860 [1,0,0,1,0,0|1,0,0]=3 797 B7R1.18 O=C(O)C1CCO1 HR109624 [1,0,0,1,0,0|1,0,0]=3 798 B7R1.18 O=C(O)C1CNC1 SIJL01006 [1,0,0,1,0,0|1,0,0]=3 799 B7R1.18 O=C(O)C1COC1 HR111082 [1,0,0,1,0,0|1,0,0]=3 800 B7R1.20 O=C(O)CC1CC1 HR136745 [1,0,0,1,0,0|0,0,0]=2 801 B7R1.1 BrCC1CCCC1 HR3104 [1,0,0,1,0,0|1,0,1]=4 802 B7R1.1 BrCC1CCCO1 HR129840 [1,0,0,1,0,0|1,0,1]=4 803 B7R1.1 Br[Mg]C1CCCC1 HR125805 [1,0,0,1,0,0|2,0,0]=4 804 B7R1.1 C#CC1CCCC1 HR119915 [1,0,0,1,0,0|1,0,1]=4 805 B7R1.1 COC1CCCC1 HR102853 [1,0,0,1,0,0|2,0,0]=4 806 B7R1.1 ClCC1CCCO1 HR119687 [1,0,0,1,0,0|1,0,1]=4 807 B7R1.1 Cl[Mg]C1CCCC1 HR125549 [1,0,0,1,0,0|2,0,0]=4 808 B7R1.1 NCC1CCCC1 HR113514 [1,0,0,1,0,0|1,0,1]=4 809 B7R1.1 NCC1CCCC1 HR143637 [1,0,0,1,0,0|1,0,1]=4 810 B7R1.1 NCC1CCCO1 HR130884 [1,0,0,1,0,0|1,0,1]=4 811 B7R1.1 NCC1CCCO1 HR146003 [1,0,0,1,0,0|1,0,1]=4 812 B7R1.1 NNC1CCCC1 HR137608 [1,0,0,1,0,0|2,0,0]=4 813 B7R1.1 O=CC1CCCC1 HR129057 [1,0,0,1,0,0|0,0,0]=2 814 B7R1.1 O=CC1CCCO1 HR106351 [1,0,0,1,0,0|1,0,0]=3 815 B7R1.1 O=CC1CCOC1 HR111279 [1,0,0,1,0,0|1,0,0]=3 816 B7R1.1 OCC1CCCC1 HR132881 [1,0,0,1,0,0|0,0,1]=3 817 B7R1.1 OCC1CCCN1 HR103019 [1,0,0,1,0,0|1,0,1]=4 818 B7R1.1 OCC1CCCN1 HR127601 [1,0,0,1,0,0|1,0,1]=4 819 B7R1.1 OCC1CCCN1 HR137906 [1,0,0,1,0,0|1,0,1]=4 820 B7R1.1 OCC1CCCO1 HR7086 [1,0,0,1,0,0|1,0,1]=4 821 B7R1.1 OCC1CCNC1 HR102864 [1,0,0,1,0,0|1,0,1]=4 822 B7R1.1 OCC1CCNC1 HR103174 [1,0,0,1,0,0|1,0,1]=4 823 B7R1.1 OCC1CCNC1 HR106887 [1,0,0,1,0,0|1,0,1]=4 824 B7R1.1 OCC1CCNC1 HR120104 [1,0,0,1,0,0|1,0,1]=4 825 B7R1.1 OCC1CCOC1 HR103184 [1,0,0,1,0,0|1,0,1]=4 826 B7R1.1 OCC1CCOC1 HR114642 [1,0,0,1,0,0|1,0,1]=4 827 B7R1.1 OCC1CCOC1 HR114966 [1,0,0,1,0,0|1,0,1]=4 828 B7R1.1 ON=C1CCCC1 HR108538 [1,0,0,1,0,0|1,0,1]=4 829 B7R1.4 CC1=CCCC1=O HR114448 [1,0,0,1,0,0|0,0,2]=4 830 B7R1.4 CC1CCCC1=O HR112329 [1,0,0,1,0,0|0,0,0]=2 831 B7R1.4 CC1CCNC1=O HR103871 [1,0,0,1,0,0|1,0,0]=3 832 B7R1.4 CC1OCCC1=O HR131028 [1,0,0,1,0,0|1,0,0]=3 833 B7R1.4 CC1SCCC1=O HR124610 [1,0,0,1,0,0|1,0,0]=3 834 B7R1.4 CN1CCCC1=O HR130754 [1,0,0,1,0,0|1,0,0]=3 835 B7R1.4 CN1CCOC1=O HR132150 [1,0,0,1,0,0|2,0,0]=4 836 B7R1.4 NC1CCCC1O HR123573 [1,0,0,1,0,0|1,0,1]=4 837 B7R1.4 NC1CCCC1O HR126055 [1,0,0,1,0,0|1,0,1]=4 838 B7R1.4 NC1CCCC1O HR126723 [1,0,0,1,0,0|1,0,1]=4 839 B7R1.4 NC1CCCC1O HR135381 [1,0,0,1,0,0|1,0,1]=4 840 B7R1.4 NC1CCCC1O HR142701 [1,0,0,1,0,0|1,0,1]=4 841 B7R1.4 NC1CCNC1=O HR148583 [1,0,0,1,0,0|2,0,0]=4 842 B7R1.4 NC1CCOC1=O HR103069 [1,0,0,1,0,0|2,0,0]=4 843 B7R1.4 NC1CCOC1=O HR134625 [1,0,0,1,0,0|2,0,0]=4 844 B7R1.4 NC1CCOC1=O HR137954 [1,0,0,1,0,0|2,0,0]=4 845 B7R1.4 NC1CCOC1=O HR146738 [1,0,0,1,0,0|2,0,0]=4 846 B7R1.4 NC1CCSC1=O HR137672 [1,0,0,1,0,0|2,0,0]=4 847 B7R1.4 NN1CCCC1=O GASA04306 [1,0,0,1,0,0|2,0,0]=4 848 B7R1.4 O=C1CCCC1Br HR121144 [1,0,0,1,0,0|1,0,0]=3 849 B7R1.4 O=C1CCCC1Cl HR112783 [1,0,0,1,0,0|1,0,0]=3 850 B7R1.4 O=C1NCCC1O HR102172 [1,0,0,1,0,0|2,0,0]=4 851 B7R1.4 O=C1NCCC1O HR113273 [1,0,0,1,0,0|2,0,0]=4 852 B7R1.4 O=C1NCCC1O HR113406 [1,0,0,1,0,0|2,0,0]=4 853 B7R1.4 O=C1NCCC1O HR147016 [1,0,0,1,0,0|2,0,0]=4 854 B7R1.4 O=C1OCCC1Br HR10714 [1,0,0,1,0,0|2,0,0]=4 855 B7R1.4 OC1CCCC1O HR141990 [1,0,0,1,0,0|1,0,1]=4 856 B7R1.4 OC1CCCC1O HR144744 [1,0,0,1,0,0|1,0,1]=4 857 B7R1.6 OCCC1COC1 HR102073 [1,0,0,1,0,0|1,0,1]=4 858 B7R1.6 OCCN1CCC1 HR33950 [1,0,0,1,0,0|1,0,1]=4 859 B7R1.24 C1CCCNCC1 HR146715 [1,0,0,1,0,0|1,0,1]=4 860 B7R1.24 C1CCOCOC1 HR105864 [1,0,0,1,0,0|1,0,1]=4 861 B7R1.24 C1CNCCOC1 HR100780 [1,0,0,1,0,0|1,0,1]=4 862 B7R1.24 C1CNCCOC1 HR146137 [1,0,0,1,0,0|1,0,1]=4 863 B9R1.7 CCCC1CCC(=O)O1 HR132110 [0,1,0,1,0,0|0,0,0]=2 864 B9R1.7 COCC1COC(=O)O1 HR118388 [0,1,0,1,0,0|1,0,0]=3 865 B9R1.13 CC(=O)NC1CCNC1 HR119460 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.13 CC(=O)NC1CCNC1 HR126156 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.13 CC(=O)NC1CCNC1 HR149035 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.13 O=C(Cl)OC1CCCC1 HR130910 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.13 O=C(O)CC1CCCC1 HR140131 [0,1,0,1,0,0|0,0,0]=2 870 B9R1.13 O=C(O)CC1CCCN1 HR139892 [0,1,0,1,0,0|0,0,0]=2 871 B9R1.13 O=C(O)CC1CCCN1 HR145708 [0,1,0,1,0,0|0,0,0]=2 872 B9R1.13 O=C(O)CC1CCCO1 HR15380 [0,1,0,1,0,0|0,0,0]=2 873 B9R1.13 O=C(O)CC1CCNC1 HR105011 [0,1,0,1,0,0|0,0,0]=2 874 B9R1.13 O=C(O)CC1CCNC1 HR145803 [0,1,0,1,0,0|0,0,0]=2 875 B9R1.13 O=C(O)CC1CCNC1 HR145804 [0,1,0,1,0,0|0,0,0]=2 876 B9R1.13 O=C(O)CC1CCOC1 HR114277 [0,1,0,1,0,0|0,0,0]=2 877 B9R1.13 O=C(O)CN1CCCC1 HR110460 [0,1,0,1,0,0|0,0,0]=2 878 B9R1.34 CC1CC(=O)CC(=O)C1 HR14279 [0,1,0,1,0,0|1,0,1]=4 879 B9R1.34 CC1CC(=O)CC(C)O1 HR111074 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.41 CC(=O)C1CCCC1=O HR144598 [0,1,0,1,0,0|1,0,1]=4 881 B9R1.41 CC1CCNC1C(=O)O HR139699 [0,1,0,1,0,0|0,0,0]=2 882 B9R1.41 CN1CCCC1C(=O)O HR102016 [0,1,0,1,0,0|0,0,0]=2 883 B9R1.41 CN1CCCC1C(=O)O HR139408 [0,1,0,1,0,0|0,0,0]=2 884 B9R1.41 CN1CCCC1C(=O)O HR139601 [0,1,0,1,0,0|0,0,0]=2 885 B9R1.41 CN1CCCC1C(=O)O HR147686 [0,1,0,1,0,0|0,0,0]=2 886 B9R1.41 NC1CCCC1C(=O)O HR11111 [0,1,0,1,0,0|0,0,0]=2 887 B9R1.41 NC1CCCC1C(=O)O HR112426 [0,1,0,1,0,0|0,0,0]=2 888 B9R1.41 NC1CCCC1C(=O)O HR112742 [0,1,0,1,0,0|0,0,0]=2 889 B9R1.41 NC1CCCC1C(=O)O HR113061 [0,1,0,1,0,0|0,0,0]=2 890 B9R1.41 NC1CCCC1C(=O)O HR117553 [0,1,0,1,0,0|0,0,0]=2 891 B9R1.41 O=C(O)C1CCCC1=O HR109477 [0,1,0,1,0,0|0,0,1]=3 892 B9R1.41 O=C(O)C1NCCC1O HR100963 [0,1,0,1,0,0|1,0,0]=3 893 B9R1.41 O=C(O)C1NCCC1O HR146202 [0,1,0,1,0,0|1,0,0]=3 894 B9R1.48 O=C1CCCCC(=O)C1 HR20261 [0,1,0,1,0,0|1,0,1]=4 895 B9R1.66 CC1(C)CC(=O)CCO1 HR102210 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.66 CC1(C)CCCC(=O)C1 HR30153 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.66 CC1(O)CCOC(=O)C1 HR123601 [0,1,0,1,0,0|2,0,0]=4 898 B9R1.137 CC(=O)CC(=O)C1CC1 HR144451 [0,1,0,1,0,0|1,0,1]=4 899 B9R1.1 CCC1CCC(=O)CC1 HR135707 [0,1,0,1,0,0|1,0,0]=3 900 B9R1.1 CCC1CCC(O)CC1 HR138817 [0,1,0,1,0,0|1,0,1]=4 901 B9R1.1 CCN1CCC(=O)CC1 HR123520 [0,1,0,1,0,0|2,0,0]=4 902 B9R1.1 CNC1CCC(=O)CC1 HR117712 [0,1,0,1,0,0|2,0,0]=4 903 B9R1.1 COC1CCC(=O)CC1 HR107140 [0,1,0,1,0,0|2,0,0]=4 904 B9R1.1 NCC1CNC(=O)CO1 HR145997 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.1 O=C1CCC(CO)CC1 HR104770 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.1 O=C1CCC(CO)CN1 HR120133 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.1 O=C1COC(CO)CN1 HR145848 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.1 O=C1COC(CO)CN1 HR145849 [0,1,0,1,0,0|2,0,0]=4 909 B9R1.1 O=C1COC(CO)CN1 HR145850 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.2 CCC1CC(=O)CCO1 HR120478 [0,1,0,1,0,0|1,0,0]=3 911 B9R1.2 CCC1CCCC(=O)N1 HR146355 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.2 CCC1CCCC(=O)O1 HR115799 [0,1,0,1,0,0|0,0,0]=2 913 B9R1.2 CCN1CCCC(O)C1 HR124748 [0,1,0,1,0,0|1,0,1]=4 914 B9R1.2 O=C1CCCC(CO)C1 HR121488 [0,1,0,1,0,0|1,0,0]=3 915 B9R1.2 O=C1CCCC(CO)N1 HR145838 [0,1,0,1,0,0|1,0,0]=3 916 B9R1.2 O=C1CCCC(CO)N1 HR145841 [0,1,0,1,0,0|1,0,0]=3 917 B9R1.2 O=C1CCCC(CO)N1 HR145844 [0,1,0,1,0,0|1,0,0]=3 918 B9R1.2 O=C1COCC(CO)N1 HR145834 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.5 CN1CCCCCC1=O HR132765 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.5 NC1CCCCNC1=O HR143152 [0,1,0,1,0,0|1,0,0]=3 921 B9R1.5 NC1CCCCNC1=O HR144162 [0,1,0,1,0,0|1,0,0]=3 922 B9R1.5 NC1CSCCNC1=O HR111257 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.5 O=C1CCCCCN1Br HR100192 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.11 COC(=O)C1CC=CC1 HR136788 [0,1,0,1,0,0|0,0,2]=4 925 B9R1.11 COC(=O)C1CCCC1 HR103520 [0,1,0,1,0,0|0,0,0]=2 926 B9R1.11 COC(=O)C1CCCN1 HR133852 [0,1,0,1,0,0|1,0,0]=3 927 B9R1.11 COC(=O)C1CCCN1 RASA04102 [0,1,0,1,0,0|1,0,0]=3 928 B9R1.11 COC(=O)C1CCCO1 HR126735 [0,1,0,1,0,0|1,0,0]=3 929 B9R1.11 COC(=O)C1CCC[NH2+]1 HR132161 [0,1,0,1,0,0|1,0,0]=3 930 B9R1.11 COC(=O)C1CCNC1 HR103128 [0,1,0,1,0,0|1,0,0]=3 931 B9R1.11 COC(=O)C1CCNC1 HR105013 [0,1,0,1,0,0|1,0,0]=3 932 B9R1.11 COC(=O)C1CCNC1 HR110217 [0,1,0,1,0,0|1,0,0]=3 933 B9R1.11 NNC(=O)C1CCOC1 HR112347 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.11 O=C(CCl)C1CCCC1 HR120563 [0,1,0,1,0,0|1,0,0]=3 935 B9R1.49 CN1CCCC(=O)CC1 HR115762 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.49 CN1CCCC(=O)CC1 HR2443 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.49 CN1CCNC(=O)CC1 HR112731 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.49 CN1CCNC(=O)CC1 HR146772 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.50 O=C1CCCCCCC1 HR129393 [0,1,0,1,0,0|1,0,0]=3 940 B9R1.50 O=C1CCCCCCN1 HR128374 [0,1,0,1,0,0|1,0,0]=3 941 B9R1.50 O=C1CCNCCCN1 HR116529 [0,1,0,1,0,0|1,0,0]=3 942 B9R1.50 OC1CCCCCCC1 HR105676 [0,1,0,1,0,0|1,0,1]=4 943 B9R1.89 O=CC1CCCCCC1 HR146293 [0,1,0,1,0,0|1,0,1]=4 944 B9R1.118 C#CC1(O)CCCCC1 HR1896 [0,1,0,1,0,0|1,0,1]=4 945 B9R1.118 C=CC1(O)CCCCC1 HR126096 [0,1,0,1,0,0|1,0,1]=4 946 B9R1.118 CCC1(O)CCCCC1 HR128236 [0,1,0,1,0,0|1,0,1]=4 947 B9R1.118 N#CC1(O)CCCCC1 HR101313 [0,1,0,1,0,0|1,0,1]=4 948 B9R1.118 OCC1(F)CCCCC1 HR147088 [0,1,0,1,0,0|1,0,1]=4 949 B9R1.132 CCC1=C(O)C(=O)CC1 HR124889 [0,1,0,1,0,0|0,0,1]=3 950 B9R1.132 CN1C(=O)CCC1CO HR149021 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.6 CC(=O)C1=CCCCC1 HR138989 [0,1,0,1,0,0|1,0,1]=4 952 B9R1.6 CC(=O)C1CCCCC1 HR132742 [0,1,0,1,0,0|1,0,0]=3 953 B9R1.6 CC(=O)C1CCCCN1 HR114158 [0,1,0,1,0,0|1,0,0]=3 954 B9R1.6 CC(=O)C1CCOCC1 HR112480 [0,1,0,1,0,0|1,0,0]=3 955 B9R1.6 CC(=O)N1CCNCC1 HR135408 [0,1,0,1,0,0|2,0,0]=4 956 B9R1.6 CC(=O)N1CCOCC1 HR127112 [0,1,0,1,0,0|2,0,0]=4 957 B9R1.6 N=C(N)C1CCNCC1 HR107350 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.6 NC(=O)C1CCCCC1 HR134499 [0,1,0,1,0,0|1,0,0]=3 959 B9R1.6 NC(=O)C1CCCCN1 HR109986 [0,1,0,1,0,0|1,0,0]=3 960 B9R1.6 NC(=O)C1CCCCN1 HR149250 [0,1,0,1,0,0|1,0,0]=3 961 B9R1.6 NC(=O)C1CCCNC1 HR124567 [0,1,0,1,0,0|1,0,0]=3 962 B9R1.6 NC(=O)C1CCNCC1 ACSA02520 [0,1,0,1,0,0|1,0,0]=3 963 B9R1.6 NC(=O)C1CNCCN1 HR112404 [0,1,0,1,0,0|2,0,0]=4 964 B9R1.6 O=C(Cl)C1CCCCC1 HR133690 [0,1,0,1,0,0|1,0,0]=3 965 B9R1.6 O=C(Cl)C1CCOCC1 HR124521 [0,1,0,1,0,0|1,0,0]=3 966 B9R1.6 O=C(Cl)N1CCOCC1 HR138923 [0,1,0,1,0,0|2,0,0]=4 967 B9R1.6 O=C(O)C1=CCCCC1 HR127974 [0,1,0,1,0,0|0,0,1]=3 968 B9R1.6 O=C(O)C1CC=CCC1 HR11032 [0,1,0,1,0,0|0,0,1]=3 969 B9R1.6 O=C(O)C1CC=CCC1 HR139596 [0,1,0,1,0,0|0,0,1]=3 970 B9R1.6 O=C(O)C1CC=CCC1 HR144350 [0,1,0,1,0,0|0,0,1]=3 971 B9R1.6 O=C(O)C1CC=CCN1 HR146186 [0,1,0,1,0,0|0,0,2]=4 972 B9R1.6 O=C(O)C1CCCCC1 DAJL01401 [0,1,0,1,0,0|0,0,0]=2 973 B9R1.6 O=C(O)C1CCCCC1 HR10570 [0,1,0,1,0,0|0,0,0]=2 974 B9R1.6 O=C(O)C1CCCCN1 HR116043 [0,1,0,1,0,0|0,0,0]=2 975 B9R1.6 O=C(O)C1CCCCN1 HR122879 [0,1,0,1,0,0|0,0,0]=2 976 B9R1.6 O=C(O)C1CCCCN1 HR132254 [0,1,0,1,0,0|0,0,0]=2 977 B9R1.6 O=C(O)C1CCCCN1 HR136021 [0,1,0,1,0,0|0,0,0]=2 978 B9R1.6 O=C(O)C1CCCCN1 HR136802 [0,1,0,1,0,0|0,0,0]=2 979 B9R1.6 O=C(O)C1CCCCN1 HR138030 [0,1,0,1,0,0|0,0,0]=2 980 B9R1.6 O=C(O)C1CCCCN1 HR145800 [0,1,0,1,0,0|0,0,0]=2 981 B9R1.6 O=C(O)C1CCCCN1 HR5567 [0,1,0,1,0,0|0,0,0]=2 982 B9R1.6 O=C(O)C1CCCCO1 HR112642 [0,1,0,1,0,0|0,0,0]=2 983 B9R1.6 O=C(O)C1CCCCO1 HR145775 [0,1,0,1,0,0|0,0,0]=2 984 B9R1.6 O=C(O)C1CCCCO1 HR145783 [0,1,0,1,0,0|0,0,0]=2 985 B9R1.6 O=C(O)C1CCCNC1 HR115729 [0,1,0,1,0,0|0,0,0]=2 986 B9R1.6 O=C(O)C1CCCNC1 HR116358 [0,1,0,1,0,0|0,0,0]=2 987 B9R1.6 O=C(O)C1CCCNC1 HR124123 [0,1,0,1,0,0|0,0,0]=2 988 B9R1.6 O=C(O)C1CCCNC1 HR127349 [0,1,0,1,0,0|0,0,0]=2 989 B9R1.6 O=C(O)C1CCCOC1 HR108512 [0,1,0,1,0,0|0,0,0]=2 990 B9R1.6 O=C(O)C1CCNCC1 HR144644 [0,1,0,1,0,0|0,0,0]=2 991 B9R1.6 O=C(O)C1CCNCC1 HR7718 [0,1,0,1,0,0|0,0,0]=2 992 B9R1.6 O=C(O)C1CCOCC1 IBCQ00401 [0,1,0,1,0,0|0,0,0]=2 993 B9R1.6 O=C(O)C1CNCCN1 HR124448 [0,1,0,1,0,0|1,0,0]=3 994 B9R1.6 O=C(O)C1CNCCN1 HR127281 [0,1,0,1,0,0|1,0,0]=3 995 B9R1.6 O=C(O)C1CNCCN1 HR131313 [0,1,0,1,0,0|1,0,0]=3 996 B9R1.6 O=C(O)C1CNCCN1 HR131587 [0,1,0,1,0,0|1,0,0]=3 997 B9R1.6 O=C(O)C1CNCCN1 HR131670 [0,1,0,1,0,0|1,0,0]=3 998 B9R1.6 O=C(O)C1CNCCN1 HR135543 [0,1,0,1,0,0|1,0,0]=3 999 B9R1.6 O=C(O)C1CNCCN1 HR136740 [0,1,0,1,0,0|1,0,0]=3 1000 B9R1.6 O=C(O)C1CNCCN1 HR136998 [0,1,0,1,0,0|1,0,0]=3 1001 B9R1.6 O=C(O)C1CNCCN1 HR144941 [0,1,0,1,0,0|1,0,0]=3 1002 B9R1.6 O=C(O)C1CNCCO1 HR117234 [0,1,0,1,0,0|1,0,0]=3 1003 B9R1.6 O=C(O)C1CNCCO1 HR117737 [0,1,0,1,0,0|1,0,0]=3 1004 B9R1.6 O=C(O)C1CNCCO1 HR145792 [0,1,0,1,0,0|1,0,0]=3 1005 B9R1.6 O=C(O)C1COCCN1 HR115132 [0,1,0,1,0,0|1,0,0]=3 1006 B9R1.6 O=C(O)C1COCCN1 HR115439 [0,1,0,1,0,0|1,0,0]=3 1007 B9R1.6 O=C(O)C1COCCN1 HR145709 [0,1,0,1,0,0|1,0,0]=3 1008 B9R1.6 O=C(O)C1COCCN1 HR145727 [0,1,0,1,0,0|1,0,0]=3 1009 B9R1.6 O=C(O)C1COCCN1 HR146837 [0,1,0,1,0,0|1,0,0]=3 1010 B9R1.6 O=C(O)C1CSCCN1 HR145827 [0,1,0,1,0,0|1,0,0]=3 1011 B9R1.6 O=C(O)C1CSCCN1 HR146212 [0,1,0,1,0,0|1,0,0]=3 1012 B9R1.6 O=C(O)C1CSCCN1 HR146213 [0,1,0,1,0,0|1,0,0]=3 1013 B9R1.6 O=C([O-])C1CCCCC1 HR120023 [0,1,0,1,0,0|0,0,1]=3 1014 B9R1.6 OB(O)C1CCCCC1 HR132740 [0,1,0,1,0,0|1,0,1]=4 1015 B9R1.6 S=C(S)N1CCCCC1 HR145077 [0,1,0,1,0,0|0,2,0]=4 1016 B9R1.83 CCCCOCC1CO1 HR123131 [0,1,0,1,0,0|1,0,1]=4 1017 B9R1.84 O=C(O)CCC1CCC1 HR103351 [0,1,0,1,0,0|0,0,0]=2 1018 B9R1.35 CC(=O)N1CCC(N)C1 HR116475 [0,1,0,1,0,0|2,0,0]=4 1019 B9R1.35 CC(C)C1COC(=O)N1 ATXF02509 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.35 CC(C)C1COC(=O)N1 HR126546 [0,1,0,1,0,0|2,0,0]=4 1021 B9R1.35 CC1CCC(C(=O)O)N1 HR139798 [0,1,0,1,0,0|0,0,0]=2 1022 B9R1.35 CC1CNC(C(=O)O)C1 HR112962 [0,1,0,1,0,0|1,0,0]=3 1023 B9R1.35 CN1CCC(C(=O)O)C1 HR110153 [0,1,0,1,0,0|1,0,0]=3 1024 B9R1.35 CN1CCC(C(=O)O)C1 HR119950 [0,1,0,1,0,0|1,0,0]=3 1025 B9R1.35 NC(=O)C1CC(F)CN1 HR149040 [0,1,0,1,0,0|2,0,0]=4 1026 B9R1.35 NC1C=CC(C(=O)O)C1 HR105341 [0,1,0,1,0,0|0,0,2]=4 1027 B9R1.35 NC1CCC(C(=O)O)C1 HR139989 [0,1,0,1,0,0|0,0,0]=2 1028 B9R1.35 NC1CCC(C(=O)O)C1 HR145717 [0,1,0,1,0,0|0,0,0]=2 1029 B9R1.35 NC1CCC(C(=O)O)C1 HR145718 [0,1,0,1,0,0|0,0,0]=2 1030 B9R1.35 NC1CCC(C(=O)O)C1 HR145728 [0,1,0,1,0,0|0,0,0]=2 1031 B9R1.35 NC1CCC(C(=O)O)C1 HR145729 [0,1,0,1,0,0|0,0,0]=2 1032 B9R1.35 NC1CCC(C(=O)O)C1 HR145730 [0,1,0,1,0,0|0,0,0]=2 1033 B9R1.35 NC1CCC(C(=O)O)C1 HR145731 [0,1,0,1,0,0|0,0,0]=2 1034 B9R1.35 O=C(O)C1CC(Br)CN1 HR140082 [0,1,0,1,0,0|1,0,0]=3 1035 B9R1.35 O=C(O)C1CC(Br)CN1 HR140177 [0,1,0,1,0,0|1,0,0]=3 1036 B9R1.35 O=C(O)C1CC(F)CN1 HR108720 [0,1,0,1,0,0|1,0,0]=3 1037 B9R1.35 O=C(O)C1CC(F)CN1 HR139799 [0,1,0,1,0,0|1,0,0]=3 1038 B9R1.35 O=C(O)C1CC(F)CN1 HR139893 [0,1,0,1,0,0|1,0,0]=3 1039 B9R1.35 O=C(O)C1CC(F)CN1 HR139990 [0,1,0,1,0,0|1,0,0]=3 1040 B9R1.35 O=C(O)C1CC(O)CN1 HR101774 [0,1,0,1,0,0|1,0,0]=3 1041 B9R1.35 O=C(O)C1CC(O)CN1 HR117442 [0,1,0,1,0,0|1,0,0]=3 1042 B9R1.35 O=C(O)C1CC(O)CN1 HR130957 [0,1,0,1,0,0|1,0,0]=3 1043 B9R1.35 O=C(O)C1CC(O)CN1 HR133285 [0,1,0,1,0,0|1,0,0]=3 1044 B9R1.35 O=C(O)C1CC(O)CN1 HR134096 [0,1,0,1,0,0|1,0,0]=3 1045 B9R1.35 O=C(O)C1CC(O)CN1 HR136136 [0,1,0,1,0,0|1,0,0]=3 1046 B9R1.35 O=C(O)C1CC(O)CN1 HR139314 [0,1,0,1,0,0|1,0,0]=3 1047 B9R1.35 O=C(O)C1CCC(O)C1 HR145784 [0,1,0,1,0,0|0,0,0]=2 1048 B9R1.35 O=C(O)C1CCC(O)C1 HR145786 [0,1,0,1,0,0|0,0,0]=2 1049 B9R1.35 O=C(O)C1CCC(O)C1 HR145787 [0,1,0,1,0,0|0,0,0]=2 1050 B9R1.35 O=C(O)C1CCC(O)C1 HR145788 [0,1,0,1,0,0|0,0,0]=2 1051 B9R1.35 O=C1CCC(C(=O)O)C1 HR108854 [0,1,0,1,0,0|0,0,1]=3 1052 B9R1.35 O=C1CCC(C(=O)O)C1 HR114929 [0,1,0,1,0,0|0,0,1]=3 1053 B9R1.35 O=C1CCC(C(=O)O)C1 HR145811 [0,1,0,1,0,0|0,0,1]=3 1054 B9R1.35 O=C1CCC(C(=O)O)N1 FAXM00201 [0,1,0,1,0,0|1,0,1]=4 1055 B9R1.35 O=C1CCC(C(=O)O)N1 HR124489 [0,1,0,1,0,0|1,0,1]=4 1056 B9R1.35 O=C1CCC(C(=O)O)N1 HR8103 [0,1,0,1,0,0|1,0,1]=4 1057 B9R1.35 O=C1CCC(C(=O)O)O1 HR127855 [0,1,0,1,0,0|1,0,1]=4 1058 B9R1.93 C=CC1CC1(N)C(=O)O HR112397 [0,1,0,1,0,0|0,0,2]=4 1059 B9R1.95 O=C(O)C1CC(CBr)C1 HR107939 [0,1,0,1,0,0|1,0,0]=3 1060 B9R1.95 O=C(O)C1CC(CO)C1 HR145694 [0,1,0,1,0,0|1,0,0]=3 1061 B9R1.110 NC(C(=O)O)C1COC1 HR102481 [0,1,0,1,0,0|1,0,0]=3 1062 B9R1.112 NC(CC1CC1)C(=O)O HR125932 [0,1,0,1,0,0|0,0,0]=2 1063 B9R1.112 NC(CC1CC1)C(=O)O HR130432 [0,1,0,1,0,0|0,0,0]=2 1064 B9R1.163 CC(=O)C1(O)CCCC1 HR120547 [0,1,0,1,0,0|1,0,0]=3 1065 B9R1.163 CC1(C(=O)O)CCCN1 HR103832 [0,1,0,1,0,0|1,0,0]=3 1066 B9R1.163 CC1(C(=O)O)CCCN1 HR139507 [0,1,0,1,0,0|1,0,0]=3 1067 B9R1.163 NC(=O)C1(N)CCCC1 HR146549 [0,1,0,1,0,0|1,0,0]=3 1068 B9R1.163 NC1(C(=O)O)CCCC1 IBCQ00406 [0,1,0,1,0,0|0,0,0]=2 1069 B9R1.163 NC1(C(=O)O)CCOC1 HR110693 [0,1,0,1,0,0|1,0,0]=3 1070 B9R1.163 NC1(C(=O)O)CCOC1 HR111011 [0,1,0,1,0,0|1,0,0]=3 1071 B9R1.163 NC1(C(=O)O)CCOC1 HR15117 [0,1,0,1,0,0|1,0,0]=3 1072 B9R1.163 O=C(O)C1(F)CCCC1 HR33973 [0,1,0,1,0,0|0,0,0]=2 1073 B9R1.10 NC1CCS(=O)(=O)CC1 HR111991 [0,1,0,1,0,0|1,0,1]=4 1074 B9R1.10 O=S1(=O)CCC(O)CC1 HR148455 [0,1,0,1,0,0|1,0,1]=4 1075 B9R1.133 CCC1COS(=O)(=O)O1 HR103760 [0,1,0,1,0,0|2,0,0]=4 1076 B9R1.161 O=C(O)C1CC1C(=O)O HR101303 [0,1,0,1,0,0|1,0,1]=4 1077 B9R1.161 O=C(O)C1CC1C(=O)O HR106060 [0,1,0,1,0,0|1,0,1]=4 1078 B9R2.39 O=C1CC2CCC1C2 HR102426 [0,0,0,2,0,0|1,0,0]=3 1079 B9R2.25 O=C1OC(=O)C2CC12 HR102599 [0,0,0,2,0,0|1,0,1]=4 1080 B9R2.7 O=C1NC2CCCC12 HR101686 [0,0,0,2,0,0|1,0,0]=3 1081 B9R2.138 O=C1CC2(COC2)C1 HR148803 [0,0,0,2,0,0|2,0,0]=4