0 B7R0.3 C=CC(=O)OCCC HR144889 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.3 C=CC(=O)OCCO HR125757 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 C=CCOC(=O)C=C HR107303 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.3 C=CCOC(=O)CBr HR103697 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.3 C=CCOC(=O)CCl HR132199 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 C=CCOC(=S)CC HR101438 [0,0,0,0,0,0|0,1,2]=3 6 B7R0.3 CCC(C)CCCO HR119648 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 CCCCC(=O)NN HR113250 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.3 CCCCC(Br)CBr HR101739 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CCCCC(O)CC HR100535 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.3 CCCCC(O)CO HR100017 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 CCCC\C(C)=N/O HR101112 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.3 CCCOC(=O)CC HR127273 [0,0,0,0,0,0|0,0,0]=0 13 B7R0.3 COC(=O)CCC#N HR113384 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.3 COC(=O)CCC=O HR116651 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 COC(=O)CCCBr HR134912 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.3 COC(=O)CCCCl HR131361 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.3 COC(=O)CCCN HR105959 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 COC(=O)\C=C\CBr HR131230 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.3 COCCC(=O)OC HR130750 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.3 COCOC(C)CO HR116453 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.3 CO\C=C\C(=O)OC HR100409 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 CO\C=C\C(=O)OC HR123737 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 C\C=C\CC(=O)OC HR127455 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 C#CC(=O)NCC HR116239 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 C#CC(=O)OCC HR132600 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.1 C=CC(=O)CCC HR100488 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.1 C=COC(=O)CC HR145643 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.1 CC#CC(=O)OC HR141249 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.1 CCC(=O)CC#N HR104780 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.1 CCC(=O)CSC HR123442 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.1 CCC(C)CCO HR120273 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.1 CCCC(=O)NN HR113429 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 CCCC(=O)SC HR136352 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.1 CCCC(=S)OC HR122832 [1,0,0,0,0,0|1,1,0]=3 35 B6R0.1 CCCC(Br)CBr HR132339 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 CCCC(Br)CC HR118696 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.1 CCCC(N)CO HR112281 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.1 CCCC(O)CO HR126914 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 CCOC(=N)CCl HR112327 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.1 CCOC(=O)C=O HR130872 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.1 CCOC(=O)CBr AMJB00601 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.1 CCOC(=O)CCl HR147617 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.1 CCOC(=O)CN HR134743 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.1 CCOC(=O)CO HR127384 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.1 CCOC(=O)CS HR136673 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.1 CCOC(=O)NN HR102667 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.1 CCOC(=O)NN HR138962 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.1 CCOC(=O)OC HR138173 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.1 CCOC(=S)S[Na] HR127866 [1,0,0,0,0,0|2,1,0]=4 50 B6R0.1 CCOC(Br)CBr HR133561 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.1 CCO\C(C)=N/O SIJL01004 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.1 CCSC(=O)CC HR138214 [1,0,0,0,0,0|0,1,0]=2 53 B6R0.1 CNC(=O)CC#N HR121877 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.1 CNCC(=O)OC HR130436 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.1 COC(=O)CC#N OLSA05202 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.1 COC(=O)CCBr HR133552 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 COC(=O)CCN HR135038 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.1 COC(=O)CCS HR133169 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.1 COCC(=O)OC HR147666 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.1 C\C=C\C(=O)CC HR108073 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.1 O=C(CCl)NCO HR124394 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.1 [C-]#[N+]CC(=O)OC HR110956 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.4 C#CCOC(=O)Cl HR143650 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.4 C=C(C)CNCC HR128262 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 C=CCOC(C)=S HR100810 [1,0,0,0,0,0|0,1,2]=4 66 B6R0.4 CC(=O)CCCBr HR147487 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 CC(=O)CCCCl HR100024 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CC(=O)CCCO HR136959 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CC(=O)NCCN HR128075 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(=O)NCCO HR100613 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(=O)OCCBr HR131354 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.4 CCCCC(=O)Cl HR147689 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CCCCC(=O)[O-] HR143929 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.4 CCCCC(C)N HR107080 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 CCCCC(C)O HR113264 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.4 CCCCC(C)O HR141634 [1,0,0,0,0,0|1,0,2]=4 77 B6R0.4 CCCCC(N)=O HR110039 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 CCCCN(C)C HR124181 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.4 CCCC[Sn](=O)O HR135371 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.4 CCCNC(N)=S HR109524 [1,0,0,0,0,0|2,1,0]=4 81 B6R0.4 CCCSC(C)=O HR137881 [1,0,0,0,0,0|0,1,0]=2 82 B6R0.4 CCNCC(=O)O HR105131 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.4 CCOCC(=O)O HR123178 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 CNCCC(=O)O HR100194 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 CO\C=C\C(C)=O HR138997 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.4 CSCCC(C)=O HR133952 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 NCCCC(=O)O HR130958 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.4 O=C(Cl)CCCBr HR102428 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.4 O=C(Cl)CCCCl HR129406 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 O=C(Cl)OCCCl HR132842 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.4 O=C(Cl)OCCCl HR17418 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.4 O=C(O)CCCBr HR131673 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 O=C(O)CCCCl HR120152 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.6 BrCCOCCBr HR134391 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.6 CCCC#CCO HR100925 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.6 CCCCCCI HR101787 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.6 CCCCCCO HR108609 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.6 CCCCCCO HR127298 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.6 CCCCCC[SiH3] HR107072 [1,0,0,0,0,0|1,1,1]=4 100 B6R0.6 CCCCCNC HR128731 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.6 CCCCNCC HR125662 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.6 CCCCOCCl HR132357 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.6 CCCC[Mg]CC HR115887 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.6 CCCOCCCl HR126380 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.6 CCCOCCO HR123698 [1,0,0,0,0,0|1,0,1]=3 106 B6R0.6 CCCSSCC HR130845 [1,0,0,0,0,0|1,1,0]=3 107 B6R0.6 CCCSSSC HR130630 [1,0,0,0,0,0|2,1,0]=4 108 B6R0.6 CCC\C=C\C=O HR127670 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.6 CCC\C=C\CO HR127397 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.6 CCNCCCN HR100502 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.6 CCOCCCCl HR124824 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.6 CCOCCCN HR100101 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.6 CCOCCCO HR128209 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.6 CCOCOCC HR147607 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.6 CCO[Mg]OCC HR128992 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.6 CCO[SiH2]OCC HR117502 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.6 CC\C=C\CCO HR100849 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.6 CC\C=C\CCO HR130305 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.6 C\C=C\CCCC HR145495 [1,0,0,0,0,0|1,0,1]=3 120 B6R0.6 C\C=C\CCCO HR110400 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.6 C\C=C\CCCO HR111291 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.6 NCCOCCN HR105600 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.6 OCCOCCCl HR126550 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.6 OCCOCCO HR128647 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.6 [Li]CCCCCC HR142102 [1,0,0,0,0,0|2,0,1]=4 126 B8R0.1 C=CCOC(=O)CC#N HR132451 [0,1,0,0,0,0|0,0,3]=4 127 B8R0.1 CCCC(=O)OCSC HR128277 [0,1,0,0,0,0|1,0,0]=2 128 B8R0.1 CCCCC(Br)CCC HR120549 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.1 CCCOC(=O)CCS HR117505 [0,1,0,0,0,0|0,0,0]=1 130 B8R0.1 CCOC(=O)CCCBr HR133499 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.1 CCOC(=O)CCCN HR142861 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.1 CCOC(=O)CCC[Zn+] HR140860 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.1 CCOC(=O)NCCCl HR139857 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.1 CCOC(=O)\C=C\CBr HR131502 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.1 C\C=C\C(=O)CCCC HR108746 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.1 C\C=C\CC(=O)OCC HR142218 [0,1,0,0,0,0|1,0,2]=4 137 B8R0.3 CCCC(Br)C(=O)OC HR135374 [0,1,0,0,0,0|2,0,0]=3 138 B8R0.3 CCCC(N)C(=O)OC HR141930 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.3 CCOC(=O)C(=O)CBr NSJB02101 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.3 CCOC(=O)C(=O)CC HR105760 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.3 COC(=O)C(Br)CCBr HR133814 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.6 C=CC(=O)CCCCC HR128010 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.6 C=CC(=O)OCCC#N HR142546 [0,1,0,0,0,0|0,0,3]=4 144 B8R0.6 C=CC(=O)OCCOC HR136408 [0,1,0,0,0,0|0,0,2]=3 145 B8R0.6 CCC(C)CCCCO HR119961 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.6 CCCCCC(=O)CI HR120235 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.6 CCCCCC(=O)SC HR105293 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.6 CCCCCC(O)CC HR112896 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.6 CCCCCC(O)CC HR113840 [0,1,0,0,0,0|1,0,2]=4 150 B8R0.6 CCCCNC(=O)CCl HR147680 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.6 CCCCOC(=O)CO HR135884 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.6 CCCCOC(=O)CS HR123589 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.6 CCC\C=C\C(=O)OC HR101945 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.6 CCC\C=C\C(=O)OC HR138885 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.6 COC(=O)CCCCBr HR132792 [0,1,0,0,0,0|2,0,0]=3 156 B8R0.6 COC(=O)CCCCCl HR117426 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.6 COC(=O)COCCCl HR118852 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.6 COCCCC(=O)OC HR115734 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.8 C=C(C)C(=O)OCCC HR115069 [0,1,0,0,0,0|0,0,1]=2 160 B8R0.8 C=C(C)C(=O)OCCN HR143632 [0,1,0,0,0,0|1,0,1]=3 161 B8R0.8 C=C(C)C(=O)OCCO HR133745 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.8 CCCCC(=O)C(C)=O HR133012 [0,1,0,0,0,0|1,0,1]=3 163 B8R0.8 CCCOC(=O)C(C)O HR104314 [0,1,0,0,0,0|0,0,0]=1 164 B8R0.8 CCCOC(=O)C(C)O HR143626 [0,1,0,0,0,0|0,0,0]=1 165 B8R0.9 CC(C)COC(=S)S[K] HR139550 [0,1,0,0,0,0|2,1,0]=4 166 B8R0.9 CC(C)COC(=S)S[Na] HR130537 [0,1,0,0,0,0|2,1,0]=4 167 B8R0.9 CC(O)COC(C)CO HR100186 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.9 CCC(=O)CCC(C)=O HR121178 [0,1,0,0,0,0|1,0,1]=3 169 B8R0.9 CCC(C)CCC(C)N HR118585 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.9 COC(=O)CCC(C)O HR125584 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.11 CCCCC(CC)CBr HR122889 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.11 CCCCC(CC)CCl HR126592 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.11 CCCCC(CC)CO HR130189 [0,1,0,0,0,0|1,0,2]=4 174 B8R0.11 CCCCC(CC)CS HR130372 [0,1,0,0,0,0|1,1,1]=4 175 B8R0.11 CCC\C=C(/C=O)CC HR103170 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.19 CCC(=O)CC(=O)CC HR138277 [0,1,0,0,0,0|1,0,1]=3 177 B8R0.19 CCC(=O)CC(=O)OC HR126248 [0,1,0,0,0,0|2,0,1]=4 178 B8R0.19 CCC(C)CC(O)CC HR124313 [0,1,0,0,0,0|1,0,2]=4 179 B8R0.19 CCC(O)CC(=O)OC HR111480 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.19 COC(=O)CC(O)CCl HR103451 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.19 COC(=O)CC(O)CCl HR106667 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.19 COC(=O)CC(O)CCl HR123616 [0,1,0,0,0,0|3,0,0]=4 183 B8R0.19 COC(=O)NC(C)CN ENSA06712 [0,1,0,0,0,0|3,0,0]=4 184 B8R0.19 COC(=O)OC(=O)OC HR126341 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.19 O=C(CBr)OC(=O)CBr HR127758 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.19 O=C(CI)OC(=O)CI HR100083 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.25 CCCCC(C)(O)CC HR138812 [0,1,0,0,0,0|1,0,2]=4 188 B8R1.1 C=CC1CCC(=O)N1 HR117010 [0,0,0,1,0,0|1,0,2]=4 189 B8R1.1 C=CC1CCC(=O)O1 HR127408 [0,0,0,1,0,0|0,0,2]=3 190 B8R1.1 C=CC1COC(=O)O1 HR135385 [0,0,0,1,0,0|1,0,2]=4 191 B8R1.1 CCC1=CCC(C)=C1 HR108113 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,0,0,1,0,0|0,0,0]=1 193 B8R1.1 CCN1CCC(=O)C1 HR113880 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.1 O=C1C=CC(CO)O1 HR108465 [0,0,0,1,0,0|1,0,2]=4 195 B8R1.1 O=C1C=CC(CO)O1 HR7063 [0,0,0,1,0,0|1,0,2]=4 196 B8R1.1 O=C1CCC(CBr)N1 HR147112 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.1 O=C1CCC(CO)N1 HR107754 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.1 O=C1CCC(CO)N1 HR126441 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.1 O=C1CCC(CO)N1 HR130096 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,0,0,1,0,0|1,0,0]=2 201 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,0,0,1,0,0|1,0,0]=2 203 B8R1.1 O=C1NC(CI)CO1 HR146345 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.1 O=C1NCC(CCl)O1 HR101243 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.1 O=C1NCC(CCl)O1 HR105324 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.2 CCC1CCCCN1 HR101681 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.2 CCC1CCCCN1 HR145962 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.2 CCC1CCCCN1 HR145963 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.2 CCC1CNCCO1 HR145969 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.2 CCC1CNCCO1 HR145970 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.2 COC1=CCCCC1 HR108356 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.2 COC1=NCCCC1 HR140176 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.2 N#CC1=CCCCO1 HR120057 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.2 NCC1CCCCO1 HR109315 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.2 OCC1CCCCO1 HR9734 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.3 C=C1CCN(C)CC1 HR107962 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,0,0,1,0,0|1,0,2]=4 219 B8R1.3 CC1=NNC(=O)CC1 HR117768 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.3 CC1CCC(=O)CC1 HR123899 [0,0,0,1,0,0|1,0,0]=2 221 B8R1.3 CC1CCC(C)NC1 HR149823 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.3 CC1CCC(N)CC1 HR127535 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.3 CC1CCC(N)CC1 HR129524 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.3 CC1CCC(O)CC1 HR102432 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.3 CC1CCC(O)CC1 HR142762 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.3 CC1CNC(=O)CO1 HR148882 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.3 CC1COC(C)CN1 HR146120 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.3 CC1COC(C)CN1 HR146121 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.3 CN1CCC(=O)CC1 HR128468 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.3 NC1CCC(=O)CC1 HR108450 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.3 NC1CCC(=O)NC1 HR114241 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.3 O=C1CCC(=O)CC1 HR123033 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.3 O=C1CCC(=O)NC1 HR110594 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.3 O=C1CCC(O)CC1 HR132671 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.3 O=C1CCC(O)CN1 HR104378 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.5 CC1=NCCCN1C HR14029 [0,0,0,1,0,0|3,0,0]=4 237 B8R1.5 CC1CCCCC1=O HR128184 [0,0,0,1,0,0|1,0,0]=2 238 B8R1.5 CC1CCCCC1N HR132700 [0,0,0,1,0,0|2,0,1]=4 239 B8R1.5 CC1CCCCC1O HR10840 [0,0,0,1,0,0|1,0,2]=4 240 B8R1.5 CC1CCCNC1C HR121961 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.5 CC1CNCCC1=O HR102395 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.5 CC1CNCCC1=O HR144741 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.5 CC1COCCC1=O HR108661 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.5 CC1NCCNC1=O HR149053 [0,0,0,1,0,0|2,0,0]=3 245 B8R1.5 CC1OCCNC1=O HR148881 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.5 CN1CCNCC1=O HR121878 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.5 NC1CCCNC1=O HR103141 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.5 NC1CCCNC1=O HR109690 [0,0,0,1,0,0|2,0,0]=3 249 B8R1.5 NC1CCCNC1=O HR143772 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.5 NN1CCCCC1=O HR128047 [0,0,0,1,0,0|3,0,0]=4 251 B8R1.5 O=C1CCCCC1=O HR133849 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.5 O=C1CCCCC1Br HR121776 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.5 O=C1CCCCC1Cl HR133138 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.5 O=C1CCCCC1F HR150360 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.5 O=C1CCNCC1Br HR118186 [0,0,0,1,0,0|3,0,0]=4 256 B8R1.5 O=C1CCNCC1F HR115169 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.5 O=C1CCNCC1F HR149775 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.5 O=C1CCOCC1F HR150373 [0,0,0,1,0,0|3,0,0]=4 259 B8R1.5 O=C1NCCCC1F HR149509 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.5 O=C1NCCCC1O HR147038 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.22 BrC1CCCCCC1 HR128104 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,0,1,0,0|1,0,1]=3 263 B8R1.22 O=C1CCCCCN1 HR129512 [0,0,0,1,0,0|1,0,0]=2 264 B8R1.22 O=C1CCCCCO1 HR107144 [0,0,0,1,0,0|0,0,0]=1 265 B8R1.22 O=C1CCCCCO1 HR120205 [0,0,0,1,0,0|0,0,0]=1 266 B8R1.22 O=C1CCCNCC1 HR107777 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.22 O=C1CCCNCC1 HR136701 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.22 O=C1CCNCCN1 HR101958 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.22 O=C1CCNCCN1 HR113359 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.22 OC1CCCCCC1 HR122711 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.38 COC(=O)C1CCC1 HR141345 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.38 COC(=O)C1CCN1 HR105944 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.38 COC(=O)C1CNC1 HR118307 [0,0,0,1,0,0|3,0,0]=4 274 B8R1.38 COC(=O)C1CNC1 HR138569 [0,0,0,1,0,0|3,0,0]=4 275 B8R1.40 NCC(=O)NC1CC1 HR145980 [0,0,0,1,0,0|2,0,0]=3 276 B8R1.50 CC1C(=O)CCC1=O HR137820 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.50 CC1CCC(=O)C1=O HR129446 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.50 CC1CCC(=O)N1C HR142184 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.50 O=C1OCC(O)C1O HR120212 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.52 CCC1(O)CCCC1 HR128504 [0,0,0,1,0,0|1,0,2]=4 281 B8R1.52 CC[N+]1(C)CCCC1 HR142975 [0,0,0,1,0,0|3,0,0]=4 282 B5R0.1 C=C(C)CCO HR139358 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.1 C=C(C)OCC HR135003 [2,0,0,0,0,0|1,0,0]=3 284 B5R0.1 CC(=O)CCCl HR106274 [2,0,0,0,0,0|1,0,0]=3 285 B5R0.1 CC(=O)CCO HR131203 [2,0,0,0,0,0|1,0,0]=3 286 B5R0.1 CC(=O)NCO HR105862 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.1 CC(=O)OC=O HR100841 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.1 CC(=O)OCBr HR127457 [2,0,0,0,0,0|1,0,0]=3 289 B5R0.1 CC(=O)OCCl HR101207 [2,0,0,0,0,0|1,0,0]=3 290 B5R0.1 CCCC(=N)N HR126811 [2,0,0,0,0,0|2,0,0]=4 291 B5R0.1 CCCC(=O)Cl HR147587 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.1 CCCC(=O)[O-] HR129884 [2,0,0,0,0,0|1,0,0]=3 293 B5R0.1 CCCC(=O)[O-] HR137474 [2,0,0,0,0,0|1,0,0]=3 294 B5R0.1 CCCC(C)Cl HR139357 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.1 CCCC(C)N HR107397 [2,0,0,0,0,0|1,0,1]=4 296 B5R0.1 CCCC(C)O HR136841 [2,0,0,0,0,0|0,0,2]=4 297 B5R0.1 CCCC(C)O HR137349 [2,0,0,0,0,0|0,0,2]=4 298 B5R0.1 CCCC(C)S HR128554 [2,0,0,0,0,0|0,1,1]=4 299 B5R0.1 CCCC(N)=O HR137715 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.1 CCNC(C)=O HR100775 [2,0,0,0,0,0|1,0,0]=3 301 B5R0.1 CCNC(N)=O HR126748 [2,0,0,0,0,0|2,0,0]=4 302 B5R0.1 CCOC(=N)N HR110036 [2,0,0,0,0,0|2,0,0]=4 303 B5R0.1 CCOC(=O)Cl IVSA07702 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.1 CCOC(=S)[S-] HR127593 [2,0,0,0,0,0|1,1,0]=4 305 B5R0.1 CCOC(C)=N HR126641 [2,0,0,0,0,0|1,0,0]=3 306 B5R0.1 CCOC(N)=O HR123919 [2,0,0,0,0,0|1,0,0]=3 307 B5R0.1 CCSC(C)=O HR138399 [2,0,0,0,0,0|0,1,0]=3 308 B5R0.1 CCSC(C)=S HR129552 [2,0,0,0,0,0|0,2,0]=4 309 B5R0.1 CNCC(=O)O HR132326 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.1 CNCC(=O)[O-] HR133335 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.1 COCC(=O)Cl HR138385 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.1 COCC(=O)O HR137614 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.1 COCC(C)=O HR124731 [2,0,0,0,0,0|1,0,0]=3 314 B5R0.1 CSCC(C)=O HR104929 [2,0,0,0,0,0|1,0,0]=3 315 B5R0.1 CSCC(N)=O HR105921 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.1 NC(=O)CCO HR101159 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.1 NCCC(=O)O HR120135 [2,0,0,0,0,0|2,0,0]=4 318 B5R0.1 NCCC(=O)O HR136538 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.1 NCCC(N)=O HR123050 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.1 O=C(Cl)CCBr HR132550 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 O=C(Cl)CCCl HR125686 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 O=C(O)CCBr HR146768 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.1 O=C(O)CCI HR118002 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.1 O=C(O)CCO HR12598 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.1 O=C(O)CCS BACQ02107 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.2 C=COCCC HR122922 [2,0,0,0,0,0|0,0,1]=3 327 B5R0.2 C=COCCO HR122391 [2,0,0,0,0,0|1,0,1]=4 328 B5R0.2 CCCCSC HR128739 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.2 CCCNCC HR129859 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.2 CCCSCC HR131098 [2,0,0,0,0,0|0,1,0]=3 331 B5R0.2 CCCSSC HR127587 [2,0,0,0,0,0|1,1,0]=4 332 B5R0.2 CCNCCN HR124923 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.2 CCNCCO HR131326 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.2 CCOCCBr HR147270 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.2 CCOCCCl HR125621 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.2 CCOCCN HR133098 [2,0,0,0,0,0|1,0,0]=3 337 B5R0.2 CCOCCN HR141597 [2,0,0,0,0,0|1,0,0]=3 338 B5R0.2 CCO\C=C\Br ATXF02514 [2,0,0,0,0,0|1,0,1]=4 339 B5R0.2 CCSCCCl HR138028 [2,0,0,0,0,0|1,1,0]=4 340 B5R0.2 CCSSCC HR137639 [2,0,0,0,0,0|1,1,0]=4 341 B5R0.2 CC[Se][Se]CC HR102291 [2,0,0,0,0,0|1,1,0]=4 342 B5R0.2 CC\C=C\C=O HR111713 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.2 CC\C=C\C=O HR139459 [2,0,0,0,0,0|1,0,1]=4 344 B5R0.2 CC\C=C\CBr HR102032 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.2 C\C=C\CCC HR121014 [2,0,0,0,0,0|0,0,1]=3 346 B5R0.2 C\C=C\OCC HR128979 [2,0,0,0,0,0|0,0,1]=3 347 B5R0.2 O=COCCO HR145529 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.3 C#CC(=O)OC HR133415 [2,0,0,0,0,0|0,0,2]=4 349 B5R0.3 C=CC(=O)OC LECQ00902 [2,0,0,0,0,0|0,0,2]=4 350 B5R0.3 CCC(=O)CBr HR101618 [2,0,0,0,0,0|1,0,0]=3 351 B5R0.3 CCC(=O)NC HR138361 [2,0,0,0,0,0|1,0,0]=3 352 B5R0.3 CCC(=S)OC HR134757 [2,0,0,0,0,0|0,1,0]=3 353 B5R0.3 CCC(Br)CC HR126412 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.3 CCC(N)CC HR124629 [2,0,0,0,0,0|1,0,1]=4 355 B5R0.3 CCC(O)CC HR127807 [2,0,0,0,0,0|0,0,2]=4 356 B5R0.3 CCC(S)CC HR120847 [2,0,0,0,0,0|0,1,1]=4 357 B5R0.3 CCN(C)CC HR114271 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.3 CCN(O)CC HR136115 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.3 CCS(=O)CC HR101279 [2,0,0,0,0,0|1,0,0]=3 360 B5R0.3 CC[AlH3](I)CC HR145180 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.3 CNC(=O)CBr HR108109 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.3 CNC(=O)NC HR124408 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.3 COC(=N)OC HR100139 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.3 COC(=O)C=O HR131069 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.3 COC(=O)CBr HR147010 [2,0,0,0,0,0|1,0,0]=3 366 B5R0.3 COC(=O)CCl HR147665 [2,0,0,0,0,0|1,0,0]=3 367 B5R0.3 COC(=O)CF HR147087 [2,0,0,0,0,0|1,0,0]=3 368 B5R0.3 COC(=O)CN VAJB00904 [2,0,0,0,0,0|1,0,0]=3 369 B5R0.3 COC(=O)CO HR136159 [2,0,0,0,0,0|1,0,0]=3 370 B5R0.3 COC(=O)CS HR136418 [2,0,0,0,0,0|1,0,0]=3 371 B5R0.3 COC(=O)NN HR17404 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.3 COS(=O)OC HR128367 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.3 CO[PH](=O)OC HR135600 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.3 O=C(CBr)CBr HR100914 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.3 O=C(CCl)CCl HR147139 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.3 O=C(CO)CO HR136414 [2,0,0,0,0,0|2,0,0]=4 377 B7R0.2 CC(C)NC(=O)CBr HR117083 [1,1,0,0,0,0|2,0,0]=4 378 B7R0.2 CC(C)OC(=O)CN HR105079 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.2 CC(C)OC(=O)CN HR117760 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.2 CC(C)OC(=O)CO HR105901 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.2 CCC(=O)CC(C)=O HR133940 [1,1,0,0,0,0|0,0,1]=3 382 B7R0.2 CCC(C)CC(C)N HR121358 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.2 CCC(C)CC(C)N HR123488 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.2 CNC(=O)CC(C)=O HR100837 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.2 COC(=O)CC(C)=O TECQ03701 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.2 COC(=O)CC(C)N HR119861 [1,1,0,0,0,0|1,0,0]=3 387 B7R0.2 COC(=O)CC(C)N HR143484 [1,1,0,0,0,0|1,0,0]=3 388 B7R0.2 COC(=O)CC(C)O HR138815 [1,1,0,0,0,0|1,0,0]=3 389 B7R0.2 CSC(=O)CC(C)C HR122226 [1,1,0,0,0,0|1,0,0]=3 390 B7R0.5 CC(C)C(=O)OCCl HR116048 [1,1,0,0,0,0|1,0,0]=3 391 B7R0.5 CCCC(=O)C(=O)O HR138596 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.5 CCCC(=O)C(C)=O HR139186 [1,1,0,0,0,0|0,0,1]=3 393 B7R0.5 CCCC(=O)C(C)C HR130078 [1,1,0,0,0,0|0,0,0]=2 394 B7R0.5 CCCC(O)C(C)C HR101888 [1,1,0,0,0,0|0,0,2]=4 395 B7R0.5 CCOC(=O)C(=O)Cl HR138954 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.5 CCOC(=O)C(C)=O HR135005 [1,1,0,0,0,0|0,0,1]=3 397 B7R0.5 CCOC(=O)C(C)Br HR123330 [1,1,0,0,0,0|0,0,0]=2 398 B7R0.5 CCOC(=O)C(C)C BEJL02302 [1,1,0,0,0,0|0,0,0]=2 399 B7R0.5 CCOC(=O)C(C)F HR137458 [1,1,0,0,0,0|0,0,0]=2 400 B7R0.5 CCOC(=O)C(C)N HR113453 [1,1,0,0,0,0|0,0,0]=2 401 B7R0.5 CCOC(=O)C(C)N HR123317 [1,1,0,0,0,0|0,0,0]=2 402 B7R0.5 CCOC(=O)C(C)N HR129365 [1,1,0,0,0,0|0,0,0]=2 403 B7R0.5 CCOC(=O)C(C)O HR100136 [1,1,0,0,0,0|0,0,0]=2 404 B7R0.5 CCOC(=O)C(C)O HR15558 [1,1,0,0,0,0|0,0,0]=2 405 B7R0.5 CCOC(=O)C(C)S HR126591 [1,1,0,0,0,0|0,0,0]=2 406 B7R0.5 CCOC(=O)C(F)Br HR137876 [1,1,0,0,0,0|1,0,0]=3 407 B7R0.5 CCOC(=O)C(F)Cl HR115827 [1,1,0,0,0,0|1,0,0]=3 408 B7R0.5 CCOC(=O)C(F)F HR123633 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.7 C=C(OCC)OCC IVSA07713 [1,1,0,0,0,0|1,0,0]=3 410 B7R0.7 C=C=CC(=O)OCC HR108306 [1,1,0,0,0,0|0,0,2]=4 411 B7R0.7 CC#CC(=O)OCC HR127977 [1,1,0,0,0,0|0,0,1]=3 412 B7R0.7 CCCC(=O)OCCl HR123267 [1,1,0,0,0,0|1,0,0]=3 413 B7R0.7 CCCC(=S)OCC HR130469 [1,1,0,0,0,0|0,1,0]=3 414 B7R0.7 CCCC(=S)OCC HR143387 [1,1,0,0,0,0|0,1,0]=3 415 B7R0.7 CCCC(Br)CCC HR101804 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.7 CCCC(C)CCO HR101631 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.7 CCCC(N)CCC HR105135 [1,1,0,0,0,0|1,0,1]=4 418 B7R0.7 CCCC(S)CCO HR131891 [1,1,0,0,0,0|0,1,1]=4 419 B7R0.7 CCNC(=O)NCC HR128759 [1,1,0,0,0,0|1,0,0]=3 420 B7R0.7 CCNC(=S)NCC HR122808 [1,1,0,0,0,0|1,1,0]=4 421 B7R0.7 CCOC(=O)CCBr HR132284 [1,1,0,0,0,0|0,0,0]=2 422 B7R0.7 CCOC(=O)CCCl HR147079 [1,1,0,0,0,0|0,0,0]=2 423 B7R0.7 CCOC(=O)CCI HR101944 [1,1,0,0,0,0|0,0,0]=2 424 B7R0.7 CCOC(=O)CCN HR129110 [1,1,0,0,0,0|0,0,0]=2 425 B7R0.7 CCOC(=O)CCS HR135162 [1,1,0,0,0,0|0,0,0]=2 426 B7R0.7 CCOC(=O)CNC HR138266 [1,1,0,0,0,0|0,0,0]=2 427 B7R0.7 CCOC(=O)CNN HR128003 [1,1,0,0,0,0|1,0,0]=3 428 B7R0.7 CCOC(=O)COC HR123443 [1,1,0,0,0,0|0,0,0]=2 429 B7R0.7 CCOC(=O)N=C=S FISA07802 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.7 CCOC(=O)OCCl HR138904 [1,1,0,0,0,0|1,0,0]=3 431 B7R0.7 CCOC(=O)\C=C\I HR11670 [1,1,0,0,0,0|0,0,2]=4 432 B7R0.7 CCOC(C)OCC HR147572 [1,1,0,0,0,0|1,0,1]=4 433 B7R0.7 CCOC([SiH3])OCC HR133297 [1,1,0,0,0,0|1,0,1]=4 434 B7R0.7 CCOP(C)OCC HR102784 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.7 CCOP(Cl)OCC HR111572 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.7 CCOS(=O)OCC HR101466 [1,1,0,0,0,0|1,0,0]=3 437 B7R0.7 CCO[PH](=O)OCC HR109664 [1,1,0,0,0,0|1,0,0]=3 438 B7R0.7 O=C(CCCl)CCCl HR2482 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.7 [C-]#[N+]CC(=O)OCC HR146955 [1,1,0,0,0,0|0,0,1]=3 440 B7R0.10 CCC(=O)C(=O)CC HR122518 [1,1,0,0,0,0|0,0,1]=3 441 B7R0.10 CCC(Br)C(=O)OC HR123363 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.10 CCC(C)C(=O)OC HR133876 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.10 CCC(C)C(=O)OC HR143721 [1,1,0,0,0,0|1,0,0]=3 444 B7R0.10 CCC(C)C(=O)SC HR105243 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.10 CCC(O)C(=O)OC HR144357 [1,1,0,0,0,0|1,0,0]=3 446 B7R0.10 COC(=O)C(Br)CBr HR132839 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.10 COC(=O)C(C)CO HR144262 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.10 COC(=O)C(Cl)CCl HR130110 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.10 COC(=O)C(N)CCl HR117490 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.10 COC(=O)C(N)CO HR126639 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.10 COC(=O)C(N)CO HR134950 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.10 COC(=O)C(N)CO HR136274 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.10 COC(=O)C(N)CO HR146542 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.10 COC(=O)C(N)CS HR136576 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.10 COC(=O)C(O)CO HR119304 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.10 COC(=O)C(O)OC HR135004 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.10 O=C(CO)C(O)CO HR100190 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.11 CCCC(C)(O)CC HR122193 [1,1,0,0,0,0|0,0,2]=4 459 B7R0.4 CC(=O)CCCCBr HR125447 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.4 CC(=O)CCCCCl HR124124 [1,1,0,0,0,0|1,0,0]=3 461 B7R0.4 CC(=O)OCCCCl HR130837 [1,1,0,0,0,0|0,0,0]=2 462 B7R0.4 CC(C)OCCCCl HR125103 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.4 CC(C)OCCCN HR136075 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.4 CCCCNC(N)=O HR125670 [1,1,0,0,0,0|2,0,0]=4 465 B7R0.4 CCCCOC(N)=O HR123655 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.4 CCCCO[P+](=O)O HR109028 [1,1,0,0,0,0|2,0,0]=4 467 B7R0.4 CCCOCC(C)O HR142954 [1,1,0,0,0,0|0,0,2]=4 468 B7R0.4 CCC\C=C\C(C)=O HR30170 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.4 CCOCC=C(C)C HR111947 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.4 NC(=O)COCCCl HR115417 [1,1,0,0,0,0|2,0,0]=4 471 B7R0.4 NCCCCC(=O)O HR127046 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.4 NCCCCC(=O)O HR139651 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.4 O=C(Cl)CCCCBr HR138251 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.4 O=C(Cl)CCCCCl HR135830 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.4 O=C(Cl)OCCCCl HR136628 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.4 O=C(O)CCCCBr HR127598 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.4 O=C(O)CCCCCl HR127871 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.4 O=C(O)COCCCl HR100767 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.4 O=S(Cl)OCCCF HR101826 [1,1,0,0,0,0|2,0,0]=4 480 B7R0.6 C=C(C)COC(C)=O HR110682 [1,1,0,0,0,0|0,0,1]=3 481 B7R0.6 CC(=O)CCC(C)=O HR125376 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.6 CC(=O)CNC(C)=O HR146276 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.6 CC(=O)COC(C)=O HR123551 [1,1,0,0,0,0|0,0,1]=3 484 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.6 CC(=O)OCC(=O)O HR120464 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.6 CC(C)CCC(=O)Cl HR101969 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.6 CC(C)CCC(=O)O HR141883 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.8 CCCO[Si](C)(C)C HR140915 [1,1,0,0,0,0|1,1,0]=4 490 B7R0.1 CCCCCCCBr HR134594 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.1 CCCCCCCCl HR120915 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.1 CCCCCCCI HR126873 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.1 CCCCCCCO HR135329 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.1 CCCCCCCS HR126629 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.1 CCCCNCCO HR101726 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.1 CCCCOCCCl HR133392 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.1 CCCNCCCN HR100474 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.1 CCCNCCOC HR103597 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.1 CCCSSCCC HR122302 [1,1,0,0,0,0|0,1,1]=4 500 B7R0.1 CCOCCCCCl HR130559 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.1 CC\C=C\CCCC HR100327 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.1 CC\C=C\CCCO HR144605 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.1 COCCOCCBr HR125362 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.1 COCCOCCO HR127002 [1,1,0,0,0,0|1,0,1]=4 505 B9R0.4 C=CCOC(=O)CC(C)=O HR126314 [0,2,0,0,0,0|0,0,2]=4 506 B9R0.4 CCCOC(=O)CC(C)C HR123585 [0,2,0,0,0,0|0,0,0]=2 507 B9R0.5 CCCCOC(=O)CC#N HR124420 [0,2,0,0,0,0|0,0,1]=3 508 B9R0.5 CCCCOC(=O)CCS HR144609 [0,2,0,0,0,0|0,0,0]=2 509 B9R0.5 CCC\C=C\C(=O)OCC HR127011 [0,2,0,0,0,0|1,0,0]=3 510 B9R0.5 CCOC(=O)CCCCBr HR125890 [0,2,0,0,0,0|1,0,0]=3 511 B9R0.5 CCOC(=O)CCCCN HR148504 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.5 CCOC(=O)COCCCl HR134831 [0,2,0,0,0,0|1,0,0]=3 513 B9R0.5 CCOCCC(=O)OCC HR122912 [0,2,0,0,0,0|1,0,0]=3 514 B9R0.5 CCO\C=C\C(=O)OCC HR108713 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.5 CCO\C=C\C(=O)OCC HR12909 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.5 CC\C=C\CC(=O)OCC HR143249 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.5 COCCOC(=O)CC#N HR140049 [0,2,0,0,0,0|0,0,1]=3 518 B9R0.8 CCCCC(Br)C(=O)OC HR132410 [0,2,0,0,0,0|2,0,0]=4 519 B9R0.8 CCCOC(=O)C(C)CC HR142970 [0,2,0,0,0,0|0,0,0]=2 520 B9R0.8 COC(=O)C(Br)CCCBr HR129039 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.8 COC(=O)C(N)CCCN HR136754 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.8 COC(=O)C(N)CCSC HR131630 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.8 COC(=O)C(N)CCSC HR144422 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.8 C\C=C(\C)C(=O)OCCC HR129262 [0,2,0,0,0,0|0,0,1]=3 525 B9R0.18 CCCCC(=O)CCCC HR140614 [0,2,0,0,0,0|1,0,0]=3 526 B9R0.18 CCCC[P+](=O)CCCC HR118819 [0,2,0,0,0,0|2,0,0]=4 527 B9R0.18 CCCNC(=O)NCCC HR105462 [0,2,0,0,0,0|1,0,0]=3 528 B9R0.18 O=C(CCCCl)CCCCl HR135367 [0,2,0,0,0,0|2,0,0]=4 529 B9R0.18 O=C(NCCCl)NCCCl HR138383 [0,2,0,0,0,0|2,0,0]=4 530 B9R0.34 CCC(=O)OC(C)COC HR123522 [0,2,0,0,0,0|0,0,0]=2 531 B9R0.34 CCCC(=O)CC(=O)OC HR142969 [0,2,0,0,0,0|2,0,0]=4 532 B9R0.34 CCOC(=O)CC(=O)CC HR131188 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.34 CCOC(=O)CC(C)CC HR102263 [0,2,0,0,0,0|1,0,0]=3 534 B9R0.34 CCOC(=O)CC(O)CBr HR123965 [0,2,0,0,0,0|2,0,0]=4 535 B9R0.34 CCOC(=O)CC(O)CBr HR124224 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.34 CCOC(=O)CC(O)CCl HR107822 [0,2,0,0,0,0|2,0,0]=4 537 B9R0.34 CCOC(=O)CC(O)CCl HR123432 [0,2,0,0,0,0|2,0,0]=4 538 B9R0.34 CCOC(=O)CC(O)CCl HR123697 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.35 CCCC(=O)C(=O)OCC HR137737 [0,2,0,0,0,0|1,0,0]=3 540 B9R0.35 CCCC(=O)C(O)CCC HR106180 [0,2,0,0,0,0|1,0,0]=3 541 B9R0.35 CCCC(Br)C(=O)OCC HR135641 [0,2,0,0,0,0|1,0,0]=3 542 B9R0.35 CCCC(C)C(=O)OCC HR130749 [0,2,0,0,0,0|1,0,0]=3 543 B9R0.35 CCCC(N)C(=O)OCC HR128528 [0,2,0,0,0,0|1,0,0]=3 544 B9R0.35 CCOC(=N)C(=O)OCC HR139134 [0,2,0,0,0,0|2,0,0]=4 545 B9R0.35 CCOC(=O)C(=O)OCC ELXM01907 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.35 CCOC(=O)C(Br)CCBr HR138648 [0,2,0,0,0,0|2,0,0]=4 547 B9R0.35 CCOC(=O)C(Cl)OCC HR113792 [0,2,0,0,0,0|2,0,0]=4 548 B9R0.48 CC(C)COC(=O)CC#N HR125981 [0,2,0,0,0,0|0,0,1]=3 549 B9R0.48 CCCC(=O)OCC(C)C HR119768 [0,2,0,0,0,0|0,0,0]=2 550 B9R0.48 CCOC(=O)CCC(C)=O HR131025 [0,2,0,0,0,0|1,0,1]=4 551 B9R0.48 CCOC(=O)CCC(C)Cl HR102899 [0,2,0,0,0,0|1,0,0]=3 552 B9R0.48 C\C=C\C(=O)OCC(C)C HR133085 [0,2,0,0,0,0|0,0,1]=3 553 B9R0.6 CCOC(=O)C(=O)C(C)C HR140341 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.23 CC(C)CC(N)C(=O)CCl HR140271 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.23 CCC(=O)C(C)CN(C)C HR108949 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.23 CCC(=O)C(C)CN(C)C HR141039 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.23 COC(=O)C(N)CC(C)C HR126242 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.23 COC(=O)C(N)CC(C)C HR127714 [0,2,0,0,0,0|2,0,0]=4 559 B9R0.23 COC(=O)C(N)CC(C)C TYJB00202 [0,2,0,0,0,0|2,0,0]=4 560 B9R0.27 CCC(C)C(N)C(=O)OC HR129852 [0,2,0,0,0,0|2,0,0]=4 561 B9R0.27 CCC(C)C(N)C(=O)OC RESA02602 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.1 C=CC(=O)OCCN(C)C HR125499 [0,2,0,0,0,0|0,0,2]=4 563 B9R0.1 CC\C(C)=C/CCC(C)=O HR145625 [0,2,0,0,0,0|2,0,0]=4 564 B9R0.24 CCC(=O)CCC(=O)CC HR111827 [0,2,0,0,0,0|1,0,0]=3 565 B9R0.24 CCC(=O)OCC(C)CC HR123055 [0,2,0,0,0,0|0,0,0]=2 566 B9R0.24 O=C(CS)OCC(O)CO HR101354 [0,2,0,0,0,0|1,0,0]=3 567 B9R0.46 C=CC(=O)OCCCCO HR100523 [0,2,0,0,0,0|0,0,2]=4 568 B9R0.46 C=CC(=O)OCCOCC HR128339 [0,2,0,0,0,0|0,0,2]=4 569 B9R0.46 CCCCCCC(=O)CC HR118308 [0,2,0,0,0,0|1,0,0]=3 570 B9R0.46 CCCCCCC(=O)OC HR101427 [0,2,0,0,0,0|2,0,0]=4 571 B9R0.46 COC(=O)CCCCCBr HR126143 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.46 COC(=O)CCCCCN HR147662 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.47 C=C(C)C(=O)NCCCN HR120835 [0,2,0,0,0,0|1,0,1]=4 574 B9R0.47 C=C(C)C(=O)OCCOC HR129605 [0,2,0,0,0,0|0,0,1]=3 575 B9R0.47 CCCCNC(=O)N(C)C HR145345 [0,2,0,0,0,0|2,0,0]=4 576 B9R0.47 CCCCOC(=O)C(C)=O HR124899 [0,2,0,0,0,0|0,0,1]=3 577 B9R0.47 CCCCOC(=O)C(C)C HR144880 [0,2,0,0,0,0|0,0,0]=2 578 B9R0.47 CCCCOC(=O)C(C)O HR123058 [0,2,0,0,0,0|0,0,0]=2 579 B9R0.7 C=C(C)C(=O)NCC(C)O HR135174 [0,2,0,0,0,0|1,0,1]=4 580 B9R0.7 C=C(C)C(=O)OCC(C)O HR136407 [0,2,0,0,0,0|0,0,1]=3 581 B9R0.7 CC(C)COC(=O)C(C)O HR129672 [0,2,0,0,0,0|0,0,0]=2 582 B9R0.13 CCCCC(CC)C(=O)Cl HR127161 [0,2,0,0,0,0|1,0,1]=4 583 B9R0.13 CCCCC(CC)C(=O)O HR136822 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.13 CCCCC(CC)C(=O)[O-] HR123660 [0,2,0,0,0,0|1,0,1]=4 585 B9R0.13 CCCCC(CC)C(=O)[O-] HR124197 [0,2,0,0,0,0|1,0,1]=4 586 B9R0.13 CCCCC(CC)C(=O)[O-] HR125577 [0,2,0,0,0,0|1,0,1]=4 587 B9R0.13 CCCCC(CC)C(=O)[O-] HR127819 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.13 CCCCC(CC)C(=O)[O-] HR128285 [0,2,0,0,0,0|1,0,1]=4 589 B9R0.13 CCCCC(CC)C(=O)[O-] HR131557 [0,2,0,0,0,0|1,0,1]=4 590 B9R0.13 CCCCC(CC)C(=O)[O-] HR131824 [0,2,0,0,0,0|1,0,1]=4 591 B9R0.42 CCC(=O)OC(Cl)C(C)C HR117601 [0,2,0,0,0,0|0,0,0]=2 592 B7R1.1 CCC1=NCCO1 HR131444 [1,0,0,1,0,0|1,0,0]=3 593 B7R1.1 CCN1CCCC1 HR139662 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.2 CC1=CC(=O)CC1 HR137516 [1,0,0,1,0,0|0,0,2]=4 595 B7R1.2 CC1=CCC(=O)O1 HR136942 [1,0,0,1,0,0|0,0,2]=4 596 B7R1.2 CC1CCC(=O)O1 HR126256 [1,0,0,1,0,0|0,0,0]=2 597 B7R1.2 CC1CCC(N)C1 HR109161 [1,0,0,1,0,0|1,0,1]=4 598 B7R1.2 CC1CNC(=O)C1 HR146359 [1,0,0,1,0,0|1,0,0]=3 599 B7R1.2 CC1CNC(=O)C1 HR146360 [1,0,0,1,0,0|1,0,0]=3 600 B7R1.2 CC1CNC(=O)C1 HR146369 [1,0,0,1,0,0|1,0,0]=3 601 B7R1.2 CC1COC(=O)O1 HR125363 [1,0,0,1,0,0|1,0,0]=3 602 B7R1.2 CC1COC(=O)O1 HR128407 [1,0,0,1,0,0|1,0,0]=3 603 B7R1.2 CC1COC(=O)O1 HR129273 [1,0,0,1,0,0|1,0,0]=3 604 B7R1.2 CN1CCC(=O)C1 HR102484 [1,0,0,1,0,0|1,0,0]=3 605 B7R1.2 NC1CCC(=O)C1 HR145995 [1,0,0,1,0,0|1,0,0]=3 606 B7R1.2 NC1COC(=O)C1 HR14757 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.2 NC1COC(=O)C1 HR14758 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.2 O=C1CC(O)CN1 HR138458 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.2 O=C1CC(O)CN1 HR138722 [1,0,0,1,0,0|2,0,0]=4 610 B7R1.2 O=C1CC(O)CN1 HR145864 [1,0,0,1,0,0|2,0,0]=4 611 B7R1.2 O=C1CC(O)CO1 HR126625 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.2 O=C1CC(O)CO1 HR127054 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.2 O=C1CC(S)CN1 HR112550 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.2 O=C1CCC(=O)C1 HR130125 [1,0,0,1,0,0|1,0,1]=4 615 B7R1.2 O=C1CCC(=O)O1 HR135468 [1,0,0,1,0,0|1,0,1]=4 616 B7R1.2 O=C1OCC(Cl)O1 HR123970 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.2 O=C1OCC(F)O1 HR135652 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.3 BrC1=CCCCC1 HR156605 [1,0,0,1,0,0|1,0,1]=4 619 B7R1.3 BrC1CCCCC1 HR130726 [1,0,0,1,0,0|1,0,1]=4 620 B7R1.3 C=C1CCNCC1 HR142260 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.3 CC1=CCCCC1 HR143913 [1,0,0,1,0,0|1,0,1]=4 622 B7R1.3 ClC1=CCCCC1 HR129641 [1,0,0,1,0,0|1,0,1]=4 623 B7R1.3 ClC1CCCCC1 HR135558 [1,0,0,1,0,0|1,0,1]=4 624 B7R1.3 NC1CCCCC1 HR124720 [1,0,0,1,0,0|1,0,1]=4 625 B7R1.3 NC1CCCCC1 HR128823 [1,0,0,1,0,0|1,0,1]=4 626 B7R1.3 NC1CCCCC1 HR144083 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.3 NC1CCCCC1 HR145293 [1,0,0,1,0,0|1,0,1]=4 628 B7R1.3 NN1CCCCC1 HR126890 [1,0,0,1,0,0|2,0,0]=4 629 B7R1.3 NN1CCCCC1 HR127151 [1,0,0,1,0,0|2,0,0]=4 630 B7R1.3 O=C1C=CCCC1 HR146309 [1,0,0,1,0,0|0,0,2]=4 631 B7R1.3 O=C1CCCCC1 SIJL01002 [1,0,0,1,0,0|0,0,0]=2 632 B7R1.3 O=C1CCCCN1 HR126393 [1,0,0,1,0,0|1,0,0]=3 633 B7R1.3 O=C1CCCCO1 HR128412 [1,0,0,1,0,0|0,0,0]=2 634 B7R1.3 O=C1CCCNC1 HR108093 [1,0,0,1,0,0|1,0,0]=3 635 B7R1.3 O=C1CCCNC1 HR116769 [1,0,0,1,0,0|1,0,0]=3 636 B7R1.3 O=C1CCCOC1 HR104744 [1,0,0,1,0,0|1,0,0]=3 637 B7R1.3 O=C1CCNCC1 CESA03001 [1,0,0,1,0,0|1,0,0]=3 638 B7R1.3 O=C1CCNCC1 HR105315 [1,0,0,1,0,0|1,0,0]=3 639 B7R1.3 O=C1CCNCC1 HR7756 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.3 O=C1CCOCC1 HR9557 [1,0,0,1,0,0|1,0,0]=3 641 B7R1.3 O=C1CCSCC1 HR123861 [1,0,0,1,0,0|1,0,0]=3 642 B7R1.3 O=C1CC[NH2+]CC1 HR127185 [1,0,0,1,0,0|1,0,0]=3 643 B7R1.3 O=C1CNCCN1 HR132423 [1,0,0,1,0,0|2,0,0]=4 644 B7R1.3 O=C1CNCCO1 HR30209 [1,0,0,1,0,0|1,0,0]=3 645 B7R1.3 O=C1COCCN1 HR115059 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.3 O=C1COCCO1 HR127683 [1,0,0,1,0,0|1,0,0]=3 647 B7R1.3 O=C1CSCCN1 HR147732 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.3 O=C1NCCCN1 HR123216 [1,0,0,1,0,0|2,0,0]=4 649 B7R1.3 O=S1OCCCO1 HR134327 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.3 OC1CCCCC1 HR122340 [1,0,0,1,0,0|0,0,2]=4 651 B7R1.3 ON1CCCCC1 HR106287 [1,0,0,1,0,0|1,0,1]=4 652 B7R1.3 PC1CCCCC1 HR119652 [1,0,0,1,0,0|1,0,1]=4 653 B7R1.3 SC1CCCCC1 HR119141 [1,0,0,1,0,0|0,1,1]=4 654 B7R1.4 C=C1CCOC1=O HR130328 [1,0,0,1,0,0|0,0,2]=4 655 B7R1.4 CC1=CCCC1=O HR114448 [1,0,0,1,0,0|0,0,2]=4 656 B7R1.4 CC1CCCC1=O HR112329 [1,0,0,1,0,0|0,0,0]=2 657 B7R1.4 CC1CCNC1=O HR103871 [1,0,0,1,0,0|1,0,0]=3 658 B7R1.4 CC1OCCC1=O HR131028 [1,0,0,1,0,0|1,0,0]=3 659 B7R1.4 CC1SCCC1=O HR124610 [1,0,0,1,0,0|1,0,0]=3 660 B7R1.4 CN1CCCC1=O HR130754 [1,0,0,1,0,0|1,0,0]=3 661 B7R1.4 CN1CCOC1=O HR132150 [1,0,0,1,0,0|1,0,0]=3 662 B7R1.4 NC1CCNC1=O HR148583 [1,0,0,1,0,0|2,0,0]=4 663 B7R1.4 NC1CCOC1=O HR103069 [1,0,0,1,0,0|1,0,0]=3 664 B7R1.4 NC1CCOC1=O HR134625 [1,0,0,1,0,0|1,0,0]=3 665 B7R1.4 NC1CCOC1=O HR137954 [1,0,0,1,0,0|1,0,0]=3 666 B7R1.4 NC1CCOC1=O HR146738 [1,0,0,1,0,0|1,0,0]=3 667 B7R1.4 NC1CCSC1=O HR137672 [1,0,0,1,0,0|1,1,0]=4 668 B7R1.4 NN1CCCC1=O GASA04306 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.4 NN1CCOC1=O HR146108 [1,0,0,1,0,0|2,0,0]=4 670 B7R1.4 O=C1CCCC1Br HR121144 [1,0,0,1,0,0|1,0,0]=3 671 B7R1.4 O=C1CCCC1Cl HR112783 [1,0,0,1,0,0|1,0,0]=3 672 B7R1.4 O=C1NCCC1O HR102172 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.4 O=C1NCCC1O HR113273 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.4 O=C1NCCC1O HR113406 [1,0,0,1,0,0|2,0,0]=4 675 B7R1.4 O=C1NCCC1O HR147016 [1,0,0,1,0,0|2,0,0]=4 676 B7R1.4 O=C1OCCC1Br HR10714 [1,0,0,1,0,0|1,0,0]=3 677 B7R1.22 CCC(=O)C1CC1 HR104134 [1,0,0,1,0,0|0,0,0]=2 678 B7R1.22 COC(=O)C1CC1 HR128125 [1,0,0,1,0,0|1,0,0]=3 679 B7R1.22 COC(=O)C1CN1 HR112447 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.22 COC(=O)C1CO1 HR129937 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.22 O=C(CBr)C1CC1 HR125713 [1,0,0,1,0,0|1,0,0]=3 682 B7R1.14 O=S1(=O)CCCO1 HR136793 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.18 CC(=O)C1CCC1 HR143826 [1,0,0,1,0,0|1,0,0]=3 684 B7R1.18 O=C(Cl)C1CCC1 HR129809 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.18 O=C(O)C1CCC1 HR136661 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.20 O=C(O)CC1CC1 HR136745 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.24 C1CCCNCC1 HR146715 [1,0,0,1,0,0|1,0,1]=4 688 B7R1.24 C1CCOCOC1 HR105864 [1,0,0,1,0,0|1,0,1]=4 689 B7R1.24 C1CNCCOC1 HR100780 [1,0,0,1,0,0|1,0,1]=4 690 B7R1.24 C1CNCCOC1 HR146137 [1,0,0,1,0,0|1,0,1]=4 691 B9R1.2 CCC1CC(=O)CCO1 HR120478 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.2 CCC1CCCC(=O)N1 HR146355 [0,1,0,1,0,0|1,0,0]=3 693 B9R1.2 CCC1CCCC(=O)O1 HR115799 [0,1,0,1,0,0|0,0,0]=2 694 B9R1.2 O=C1CCCC(CO)C1 HR121488 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.2 O=C1CCCC(CO)N1 HR145838 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.2 O=C1CCCC(CO)N1 HR145841 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.2 O=C1CCCC(CO)N1 HR145844 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.2 O=C1COCC(CO)N1 HR145834 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.7 CCCC1CCC(=O)O1 HR132110 [0,1,0,1,0,0|0,0,0]=2 700 B9R1.7 COCC1COC(=O)O1 HR118388 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.8 BrCCC1OCCCO1 HR123423 [0,1,0,1,0,0|0,0,2]=4 702 B9R1.8 CCOC1=CCCCC1 HR107315 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.8 NCCC1=CCCCC1 HR113892 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.15 COC1CCCNC1=O HR120913 [0,1,0,1,0,0|1,0,0]=3 705 B9R1.15 COC1COCCC1=O HR108975 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.27 CCC1=C(C)CNC1=O HR133364 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.33 CCCN1CCCC1=O HR125417 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.33 NCCN1CCCC1=O HR106125 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.33 NCCN1CCNC1=O HR108791 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.33 NCCN1CCNC1=O HR120336 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.33 O=C1CCCN1CCO HR133780 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.33 O=C1NCCN1CCCl HR134172 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.33 O=C1NCCN1CCO HR135370 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.33 O=C1OCCN1CCCl HR110242 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.33 O=C1OCCN1CCO HR109919 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.48 O=C1CCCCC(=O)C1 HR20261 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.49 CN1CCCC(=O)CC1 HR115762 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.49 CN1CCCC(=O)CC1 HR2443 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.49 CN1CCNC(=O)CC1 HR112731 [0,1,0,1,0,0|1,0,0]=3 720 B9R1.49 CN1CCNC(=O)CC1 HR146772 [0,1,0,1,0,0|1,0,0]=3 721 B9R1.50 O=C1CCCCCCC1 HR129393 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.50 O=C1CCCCCCN1 HR128374 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.50 O=C1CCNCCCN1 HR116529 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.69 CC1CN(C)CCC1=O HR132188 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.69 CC1CNC(=O)CC1=O HR148296 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.73 CCOC(=O)C1CCC1 HR127166 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.73 CCOC(=O)C1CNC1 HR139224 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.75 CCCC(=O)OC1CO1 PRCQ00205 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.75 CCOC(=O)CC1CC1 HR119908 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.100 CCCNC(=O)C1CC1 HR141530 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.3 CC1C(=O)CCCC1=O HR133563 [0,1,0,1,0,0|1,0,1]=4 732 B9R1.3 CN1CCCN(C)C1=O HR131128 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.5 CN1CCCCCC1=O HR132765 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.5 NC1CCCCNC1=O HR143152 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.5 NC1CCCCNC1=O HR144162 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.5 NC1CSCCNC1=O HR111257 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.5 O=C1CCCCCN1Br HR100192 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.11 COC(=O)C1CCCC1 HR103520 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.11 COC(=O)C1CCCN1 HR133852 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.11 COC(=O)C1CCCN1 RASA04102 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.11 COC(=O)C1CCCO1 HR126735 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.11 COC(=O)C1CCC[NH2+]1 HR132161 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.11 COC(=O)C1CCNC1 HR103128 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.11 COC(=O)C1CCNC1 HR105013 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.11 COC(=O)C1CCNC1 HR110217 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.11 O=C(CCl)C1CCCC1 HR120563 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.37 CC1CC(=O)C(=O)C1C HR124020 [0,1,0,1,0,0|1,0,0]=3 748 B9R1.82 COC(=O)C1CC(O)C1 HR118315 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.132 CCC1=C(O)C(=O)CC1 HR124889 [0,1,0,1,0,0|1,0,1]=4 750 B9R1.132 CN1C(=O)CCC1CO HR149021 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.186 COC(=O)C1(N)CCC1 HR102180 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.186 COC(=O)C1(N)CCC1 HR147600 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.1 CCC1CCC(=O)CC1 HR135707 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.1 CCN1CCC(=O)CC1 HR123520 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.1 CNC1CCC(=O)CC1 HR117712 [0,1,0,1,0,0|1,0,0]=3 756 B9R1.1 COC1CCC(=O)CC1 HR107140 [0,1,0,1,0,0|1,0,0]=3 757 B9R1.1 N#CC1CCC(=O)CC1 HR148423 [0,1,0,1,0,0|1,0,1]=4 758 B9R1.1 NCC1CNC(=O)CO1 HR145997 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.1 O=C1CCC(CO)CC1 HR104770 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.1 O=C1CCC(CO)CN1 HR120133 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.1 O=C1COC(CO)CN1 HR145848 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.1 O=C1COC(CO)CN1 HR145849 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.1 O=C1COC(CO)CN1 HR145850 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.1 O=CC1CCC(=O)CC1 HR144541 [0,1,0,1,0,0|1,0,1]=4 765 B9R1.80 C=CC(=O)OCC1CO1 HR138690 [0,1,0,1,0,0|0,0,2]=4 766 B9R1.89 O=CC1CCCCCC1 HR146293 [0,1,0,1,0,0|1,0,1]=4 767 B9R1.23 CC1N=C(CN)OC1=O HR108094 [0,1,0,1,0,0|1,0,1]=4 768 B9R1.23 CCC1N=C(C)C(C)S1 HR132159 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.35 CC(C)C1COC(=O)N1 ATXF02509 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.35 CC(C)C1COC(=O)N1 HR126546 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.35 O=C1CCC(C(=O)O)O1 HR127855 [0,1,0,1,0,0|1,0,1]=4 772 B9R1.40 CC1(C)CCCCC1=O HR147205 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.40 CC1(C)NCCNC1=O HR109642 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.45 CC1CN1C(=O)N(C)C HR146707 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.10 CC1(C)C=CC(=O)CC1 HR144444 [0,1,0,1,0,0|1,0,1]=4 776 B9R1.10 CC1(C)CC=C(Br)CC1 HR156608 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.10 CC1(C)CCC(=O)CC1 HR110559 [0,1,0,1,0,0|1,0,0]=3 778 B9R1.10 O=C1CCC(F)(F)CC1 HR107490 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.133 CCC1COS(=O)(=O)O1 HR103760 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.138 CC1(C)COC(=O)C1=O HR142382 [0,1,0,1,0,0|1,0,1]=4 781 B9R1.138 CC1(C)COC(=O)C1O HR122714 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.138 CC1(C)COC(=O)C1O HR136373 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.138 CC1(C)COC(=O)C1O HR136632 [0,1,0,1,0,0|1,0,0]=3 784 B9R2.39 O=C1CC2CCC1C2 HR102426 [0,0,0,2,0,0|1,0,0]=3 785 B9R2.7 O=C1NC2CCCC12 HR101686 [0,0,0,2,0,0|1,0,0]=3