0 B5R0.3 BrCC(Br)CBr HR135471 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 C#CC(O)C#C HR111193 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C#CC(O)CC HR141891 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C=C(CBr)CBr HR116182 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C=C(CO)CO HR129279 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.3 C=CC(N)CO HR146014 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 C=CC(O)C=C HR133002 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 C=CC(O)CC HR132478 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 C=CC(O)CN HR146126 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 C=CC(O)CN HR146127 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 C=CC(O)CN HR146128 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 C=CC(O)CO HR120607 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.3 CC(CCl)CBr HR113187 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CC(CN)CN HR111998 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CC(CN)CO HR105025 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 CC(CO)CO HR120700 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.3 CCC(=N)NO HR117947 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 CCC(=O)CBr HR101618 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.3 CCC(Br)CBr HR126943 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 CCC(Br)CC HR126412 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CCC(C)C=O HR108130 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.3 CCC(C)CBr HR126522 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.3 CCC(C)CCl HR111310 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.3 CCC(C)CCl HR129974 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.3 CCC(C)CO HR133183 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 CCC(C)[Mg]Br HR106081 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.3 CCC(C)[Mg]Cl HR112582 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.3 CCC(N)CC HR124629 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.3 CCC(N)CO AUSA03801 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.3 CCC(N)CO HR129875 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.3 CCC(N)CO HR145232 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.3 CCC(O)CC HR127807 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.3 CCC(O)CN HR103501 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.3 CCC(O)CO HR101364 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.3 CCC(O)CO HR108310 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.3 CCC(O)CO HR112215 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.3 CCC(S)CC HR120847 [0,0,0,0,0,0|2,1,0]=3 37 B5R0.3 CCC(S)CS HR131558 [0,0,0,0,0,0|1,2,0]=3 38 B5R0.3 CCN(C)CC HR114271 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.3 CCN(O)CC HR136115 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.3 CCS(=O)CC HR101279 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.3 CC[AlH3](I)CC HR145180 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.3 COC(=O)CO HR136159 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.3 COC(C)CN HR145932 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.3 COC(C)CN HR145933 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.3 COC(C)CN HR145964 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.3 COC(C)CN HR146148 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.3 COC(C)CO HR101756 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.3 ClCC(Br)CBr HR101312 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.3 N#CC(Br)CBr HR137597 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.3 N#CC(Cl)CCl HR125413 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.3 NC(CO)CO HR136419 [0,0,0,0,0,0|1,0,0]=1 52 B5R0.3 NC(CO)CO HR136933 [0,0,0,0,0,0|1,0,0]=1 53 B5R0.3 NCC(O)CCl HR33275 [0,0,0,0,0,0|2,0,0]=2 54 B5R0.3 NCC(O)CF HR151139 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.3 NCC(O)CN HR135716 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.3 NCC(O)CO HR133362 [0,0,0,0,0,0|1,0,0]=1 57 B5R0.3 NCC(O)CO HR135112 [0,0,0,0,0,0|1,0,0]=1 58 B5R0.3 NCC(O)CO HR5712 [0,0,0,0,0,0|1,0,0]=1 59 B5R0.3 O=C(CBr)CBr HR100914 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.3 O=C(CCl)CCl HR147139 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.3 O=C(CO)CO HR136414 [0,0,0,0,0,0|0,0,2]=2 62 B5R0.3 O=CC(Br)CBr HR127791 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.3 O=CC(O)CO HR110417 [0,0,0,0,0,0|0,0,2]=2 64 B5R0.3 O=CC(O)CO HR6339 [0,0,0,0,0,0|0,0,2]=2 65 B5R0.3 OC(CBr)CBr HR133135 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.3 OC(CI)CI HR109103 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.3 OCC(Br)CBr HR127514 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.3 OCC(Cl)CCl HR123630 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.3 OCC(O)CCl HR147009 [0,0,0,0,0,0|1,0,0]=1 70 B5R0.3 OCC(O)CCl HR34181 [0,0,0,0,0,0|1,0,0]=1 71 B5R0.3 OCC(O)CCl HR5741 [0,0,0,0,0,0|1,0,0]=1 72 B5R0.3 OCC(O)CF HR116790 [0,0,0,0,0,0|1,0,0]=1 73 B5R0.3 OCC(O)CO HR101833 [0,0,0,0,0,0|0,0,0]=0 74 B5R0.3 OCC(O)CS HR138736 [0,0,0,0,0,0|0,1,0]=1 75 B5R0.3 OCC(S)CS HR126983 [0,0,0,0,0,0|0,2,0]=2 76 B4R0.1 C#CC(C)O HR104349 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 C=C(C)CBr HR118272 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 C=C(C)CN HR103061 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 C=CC(C)N HR115106 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 C=CC(C)N HR115412 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 C=CC(C)O HR107775 [1,0,0,0,0,0|1,0,1]=3 82 B4R0.1 CC(=O)CBr HR147584 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 CC(=O)CCl HR146994 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 CC(=O)CN HR103911 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.1 CC(=O)CN HR120199 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.1 CC(=O)CO HR130889 [1,0,0,0,0,0|0,0,2]=3 87 B4R0.1 CC(=O)NO HR132350 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 CC(=O)OO HR147573 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.1 CC(C)=NO HR135300 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CC(C)NN ENSA06702 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 CC(C)NO HR127909 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CC(C)NO HR128179 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.1 CC(C)ON HR102359 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.1 CC(C)[Mg]Br HR118032 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 CC(C)[Mg]Cl HR133071 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 CC(Cl)C#N HR101275 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CC(Cl)CO HR137607 [1,0,0,0,0,0|1,0,0]=2 98 B4R0.1 CC(Cl)CO HR145870 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.1 CC(Cl)CO HR8287 [1,0,0,0,0,0|1,0,0]=2 100 B4R0.1 CC(N)CN HR107514 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(N)CN HR114377 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 CC(N)CO HR128063 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 CC(N)CO RESA03608 [1,0,0,0,0,0|1,0,0]=2 104 B4R0.1 CC(N)CO VAJB01501 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.1 CC(O)CBr HR101360 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.1 CC(O)CCl HR135269 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 CC(O)CCl HR137859 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 CC(O)CN HR124975 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CC(O)CN RESA03408 [1,0,0,0,0,0|1,0,0]=2 110 B4R0.1 CC(O)CO HR123224 [1,0,0,0,0,0|0,0,0]=1 111 B4R0.1 CC(O)CO HR134690 [1,0,0,0,0,0|0,0,0]=1 112 B4R0.1 CC(O)CO HR135390 [1,0,0,0,0,0|0,0,0]=1 113 B4R0.1 CC([NH3+])CO HR127458 [1,0,0,0,0,0|1,0,0]=2 114 B4R0.1 CCB(O)O HR132210 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 CCC(C)N HR146170 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.1 CCC(C)O HR134477 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.1 CCC(C)O HR138640 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.1 CCC(C)[O-] HR123042 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.1 CCC(N)N HR113560 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.1 CCN(C)C HR137292 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 CNC(C)C HR108788 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.1 CSC(C)C HR129517 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.1 FC(Br)CBr HR108839 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.1 FC(F)CBr HR121649 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.1 FC(F)CI HR116342 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.1 N=C(N)CO HR114385 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.1 NCC(=O)O HR123103 [1,0,0,0,0,0|1,0,2]=4 128 B4R0.1 NCC(=O)O HR134482 [1,0,0,0,0,0|1,0,2]=4 129 B4R0.1 NCC(F)F HR142199 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.1 O=C(O)CBr HR147062 [1,0,0,0,0,0|1,0,2]=4 131 B4R0.1 O=C(O)CCl HR147508 [1,0,0,0,0,0|1,0,2]=4 132 B4R0.1 O=C(O)CO HR128939 [1,0,0,0,0,0|0,0,2]=3 133 B4R0.1 O=C(O)CS HR128237 [1,0,0,0,0,0|0,1,2]=4 134 B4R0.1 O=C([O-])CO HR134522 [1,0,0,0,0,0|0,0,3]=4 135 B4R0.1 O=S([O-])CO HR127617 [1,0,0,0,0,0|1,0,2]=4 136 B4R0.1 OCC(F)F HR117908 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 [Li]C(C)CC HR128023 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 [Li]CC(C)C HR106513 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.2 BrCCCBr HR137338 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 C#CCCBr HR109941 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 C#CCCN HR106426 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.2 C#CCCO HR126889 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.2 C=CCCBr HR124734 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 C=CCCN HR116389 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 C=CCCO HR127635 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.2 CC#CCO HR131453 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.2 CCCCN HR105634 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.2 CCCCO HR138784 [1,0,0,0,0,0|1,0,0]=2 149 B4R0.2 CCCC[O-] HR125276 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.2 CCCC[Si] HR100255 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.2 CCCNC HR109098 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.2 CCCSC HR128481 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.2 CCC[Mg]Br HR101998 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.2 CCC[Mg]Cl HR101421 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.2 CCNCC HR101857 [1,0,0,0,0,0|3,0,0]=4 156 B4R0.2 CCNCC HR127000 [1,0,0,0,0,0|3,0,0]=4 157 B4R0.2 CCNCC HR132573 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.2 CCPCC HR117135 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.2 CCSCC HR120777 [1,0,0,0,0,0|3,0,0]=4 160 B4R0.2 CCSCC HR127285 [1,0,0,0,0,0|3,0,0]=4 161 B4R0.2 CNCCO HR131851 [1,0,0,0,0,0|2,0,0]=3 162 B4R0.2 COCCBr HR2138 [1,0,0,0,0,0|3,0,0]=4 163 B4R0.2 COCCCl HR130902 [1,0,0,0,0,0|3,0,0]=4 164 B4R0.2 COCCN HR101134 [1,0,0,0,0,0|3,0,0]=4 165 B4R0.2 CSCCN HR110636 [1,0,0,0,0,0|3,0,0]=4 166 B4R0.2 CSCCO HR125294 [1,0,0,0,0,0|2,0,0]=3 167 B4R0.2 FCCCBr HR109590 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.2 ICCCI HR100197 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.2 N#CCCBr HR147344 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 N#CCCN HR133669 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 N#CCCO HR132067 [1,0,0,0,0,0|1,0,1]=3 172 B4R0.2 N#CCCS HR113672 [1,0,0,0,0,0|1,1,1]=4 173 B4R0.2 NCCCBr CEJL02001 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.2 NCCCBr HR133137 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.2 NCCCCl HR125166 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.2 NCCCN HR147138 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.2 NCCCO HR117078 [1,0,0,0,0,0|1,0,0]=2 178 B4R0.2 NCCON HR147259 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.2 NNCCO HR125238 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.2 OCCCBr HR133755 [1,0,0,0,0,0|1,0,0]=2 181 B4R0.2 OCCCCl HR147346 [1,0,0,0,0,0|1,0,0]=2 182 B4R0.2 OCCCF HR128996 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.2 OCCCI HR117054 [1,0,0,0,0,0|1,0,0]=2 184 B4R0.2 OCCCO HR129726 [1,0,0,0,0,0|0,0,0]=1 185 B4R0.2 OCCCS HR131625 [1,0,0,0,0,0|0,1,0]=2 186 B4R0.2 SCCCBr HR118175 [1,0,0,0,0,0|1,1,0]=3 187 B4R0.2 SCCCS HR124438 [1,0,0,0,0,0|0,2,0]=3 188 B4R0.2 [Li]CCCC HR138942 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.1 BrCCC(Br)CBr HR130765 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.1 C=CC(O)CCC HR128085 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.1 CC(CO)CCO HR114955 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.1 CCC(C)CCO HR120273 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.1 CCCC(Br)CBr HR132339 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.1 CCCC(Br)CC HR118696 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.1 CCCC(N)CO HR112281 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.1 CCCC(O)CO HR126914 [0,1,0,0,0,0|1,0,0]=2 197 B6R0.1 CCOC(=O)CO HR127384 [0,1,0,0,0,0|1,0,2]=4 198 B6R0.1 CCOC(Br)CBr HR133561 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.1 CNCC(O)CO HR129465 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.1 COC(C)CCO HR100431 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.1 COCC(C)OC HR127461 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.1 COCC(O)CO HR137691 [0,1,0,0,0,0|0,0,0]=1 203 B6R0.1 N#CCC(O)CCl HR124747 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.1 N#CCC(O)CCl HR125019 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 N#CCC(O)CCl HR137517 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.1 N#CCC(O)CO HR123875 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.1 NC(CO)CCO HR104083 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.1 O=C(CCl)NCO HR124394 [0,1,0,0,0,0|1,0,2]=4 209 B6R0.1 OC(CBr)CCBr HR123500 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.1 OC(CCl)CCCl HR131787 [0,1,0,0,0,0|2,0,0]=3 211 B6R0.1 OCCC(O)CO HR115817 [0,1,0,0,0,0|0,0,0]=1 212 B6R0.1 OCCC(O)CO HR123987 [0,1,0,0,0,0|0,0,0]=1 213 B6R0.1 OCCC(O)CO HR130974 [0,1,0,0,0,0|0,0,0]=1 214 B6R0.3 CC(C)C(N)CO HR108489 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.3 CC(C)C(N)CO HR127327 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.3 CC(C)C(N)CO HR146615 [0,1,0,0,0,0|2,0,0]=3 217 B6R0.3 CC(CN)C(=O)O HR133030 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.3 CC(O)C(N)CO HR137748 [0,1,0,0,0,0|1,0,0]=2 219 B6R0.3 CC(O)C(N)CO HR138002 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.3 CCC(Br)C(=O)O HR123595 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 CCC(C)C(=O)O HR124401 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.3 CCC(C)C(=O)O HR124666 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.3 CCC(Cl)C(=O)O HR104193 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.3 CCC(Cl)C(=O)O HR104505 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.3 CCC(N)B(O)O HR32532 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.3 CCC(N)B(O)O HR32533 [0,1,0,0,0,0|3,0,0]=4 227 B6R0.3 CCC(N)C(=O)O HR100731 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.3 CCC(N)C(=O)O HR128531 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.3 CCC(N)C(=O)O HR128797 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 CCC(N)C(=O)O HR130831 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.3 CCC(N)C(=O)O VOJL00901 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.3 CCC(O)C(=O)O HR145745 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.3 CCC(O)C(=O)O HR8265 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.3 NC(=O)C(N)CO HR115072 [0,1,0,0,0,0|1,0,2]=4 235 B6R0.3 NC(CO)C(=O)O HR10704 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.3 NC(CO)C(=O)O HR11003 [0,1,0,0,0,0|1,0,1]=3 237 B6R0.3 NC(CO)C(=O)O HR136009 [0,1,0,0,0,0|1,0,1]=3 238 B6R0.3 NC(CS)C(=O)O HR125082 [0,1,0,0,0,0|1,1,1]=4 239 B6R0.3 NC(CS)C(=O)O HR125295 [0,1,0,0,0,0|1,1,1]=4 240 B6R0.3 NC(CS)C(=O)O HR125344 [0,1,0,0,0,0|1,1,1]=4 241 B6R0.3 NC(CS)C(=O)O HR129167 [0,1,0,0,0,0|1,1,1]=4 242 B6R0.3 NC(CS)C(=O)O HR129315 [0,1,0,0,0,0|1,1,1]=4 243 B6R0.3 NC(CS)C(=O)O HR129684 [0,1,0,0,0,0|1,1,1]=4 244 B6R0.3 NC(CS)C(=O)O HR135781 [0,1,0,0,0,0|1,1,1]=4 245 B6R0.3 NC(CS)C(=O)O HR136316 [0,1,0,0,0,0|1,1,1]=4 246 B6R0.3 NC(C[SeH])C(=O)O HR101211 [0,1,0,0,0,0|1,1,1]=4 247 B6R0.3 NCC(N)C(=O)O HR101827 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.3 NCC(N)C(=O)O HR120379 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.3 NCC(N)C(=O)O HR130162 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.3 NCC(N)C(=O)O HR137268 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.3 NCC(O)C(=O)O HR126827 [0,1,0,0,0,0|1,0,1]=3 252 B6R0.3 NCC(O)C(=O)O HR145757 [0,1,0,0,0,0|1,0,1]=3 253 B6R0.3 NCC(O)C(=O)O HR145758 [0,1,0,0,0,0|1,0,1]=3 254 B6R0.3 O=C(O)C(Br)CBr HR128067 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.3 O=C(O)C(Br)CO HR121810 [0,1,0,0,0,0|1,0,1]=3 256 B6R0.3 O=C(O)C(Cl)CCl HR102337 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.8 CC(C)(C=O)CO HR145082 [0,1,0,0,0,0|1,0,2]=4 258 B6R0.8 CC(C)(CBr)CBr HR101652 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.8 CC(C)(CCl)CCl HR138333 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.8 CC(C)(CN)CN HR133469 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.8 CC(C)(CN)CO HR144229 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.8 CC(C)(CO)CBr HR135011 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.8 CC(C)(CO)CCl HR134746 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.8 CC(C)(CO)CO HR136090 [0,1,0,0,0,0|1,0,0]=2 265 B6R0.8 CC(N)(CO)CO HR136310 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.8 CC(O)(CO)CCl HR110957 [0,1,0,0,0,0|1,0,0]=2 267 B6R0.8 CCC(C)(Br)CC HR104776 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.8 CC[Si](O)(O)CC HR105094 [0,1,0,0,0,0|2,1,0]=4 269 B6R0.8 OCC(F)(F)CO HR150400 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.9 CCB(CC)OC HR134323 [0,1,0,0,0,0|3,0,0]=4 271 B6R0.9 CCC(CC)CBr DAJL01402 [0,1,0,0,0,0|3,0,0]=4 272 B6R0.9 CCC(CC)NC HR112023 [0,1,0,0,0,0|3,0,0]=4 273 B6R0.9 CCC(CO)CO HR116403 [0,1,0,0,0,0|1,0,0]=2 274 B6R0.9 COC(CBr)OC HR100606 [0,1,0,0,0,0|3,0,0]=4 275 B6R0.9 COC(CN)OC CAJB01106 [0,1,0,0,0,0|3,0,0]=4 276 B6R0.9 OCC(CO)CO HR136016 [0,1,0,0,0,0|0,0,0]=1 277 B6R1.2 BrC1CCCC1 HR146931 [0,0,0,1,0,0|3,0,0]=4 278 B6R1.2 BrC1CCOC1 HR32206 [0,0,0,1,0,0|2,0,0]=3 279 B6R1.2 CC1CCNC1 HR117788 [0,0,0,1,0,0|3,0,0]=4 280 B6R1.2 CC1CCNC1 HR121513 [0,0,0,1,0,0|3,0,0]=4 281 B6R1.2 CC1CCNC1 HR142801 [0,0,0,1,0,0|3,0,0]=4 282 B6R1.2 CC1CCNC1 HR142900 [0,0,0,1,0,0|3,0,0]=4 283 B6R1.2 CC1CCNC1 HR143674 [0,0,0,1,0,0|3,0,0]=4 284 B6R1.2 CC1CCOC1 HR144126 [0,0,0,1,0,0|2,0,0]=3 285 B6R1.2 CC1CCSC1 HR124140 [0,0,0,1,0,0|2,1,0]=4 286 B6R1.2 CC1COCO1 HR124771 [0,0,0,1,0,0|3,0,0]=4 287 B6R1.2 ClC1CCCC1 HR100908 [0,0,0,1,0,0|3,0,0]=4 288 B6R1.2 ClC1CCOC1 HR146389 [0,0,0,1,0,0|2,0,0]=3 289 B6R1.2 FC1CCNC1 HR108608 [0,0,0,1,0,0|3,0,0]=4 290 B6R1.2 FC1CCNC1 HR111906 [0,0,0,1,0,0|3,0,0]=4 291 B6R1.2 FC1CCNC1 HR113706 [0,0,0,1,0,0|3,0,0]=4 292 B6R1.2 FC1CCNC1 HR148267 [0,0,0,1,0,0|3,0,0]=4 293 B6R1.2 IC1CCOC1 HR121544 [0,0,0,1,0,0|2,0,0]=3 294 B6R1.2 NC1CC=CC1 HR106458 [0,0,0,1,0,0|3,0,0]=4 295 B6R1.2 NC1CCCC1 TRXM00901 [0,0,0,1,0,0|3,0,0]=4 296 B6R1.2 NC1CCNC1 HR122368 [0,0,0,1,0,0|3,0,0]=4 297 B6R1.2 NC1CCNC1 HR122634 [0,0,0,1,0,0|3,0,0]=4 298 B6R1.2 NC1CCNC1 HR123574 [0,0,0,1,0,0|3,0,0]=4 299 B6R1.2 NC1CCNC1 HR123838 [0,0,0,1,0,0|3,0,0]=4 300 B6R1.2 NC1CCNC1 HR136682 [0,0,0,1,0,0|3,0,0]=4 301 B6R1.2 NC1CCNC1 HR136939 [0,0,0,1,0,0|3,0,0]=4 302 B6R1.2 NC1CCOC1 HR110868 [0,0,0,1,0,0|2,0,0]=3 303 B6R1.2 NC1CCOC1 HR119912 [0,0,0,1,0,0|2,0,0]=3 304 B6R1.2 NC1CCOC1 HR145986 [0,0,0,1,0,0|2,0,0]=3 305 B6R1.2 NC1CCOC1 HR15126 [0,0,0,1,0,0|2,0,0]=3 306 B6R1.2 NC1CCOC1 HR15496 [0,0,0,1,0,0|2,0,0]=3 307 B6R1.2 NC1CCOC1 HR33445 [0,0,0,1,0,0|2,0,0]=3 308 B6R1.2 NC1CCOC1 HR33446 [0,0,0,1,0,0|2,0,0]=3 309 B6R1.2 O=C1CCOC1 HR109194 [0,0,0,1,0,0|1,0,2]=4 310 B6R1.2 OC1CC=CC1 HR30107 [0,0,0,1,0,0|2,0,0]=3 311 B6R1.2 OC1CCNC1 HR122348 [0,0,0,1,0,0|2,0,0]=3 312 B6R1.2 OC1CCNC1 HR128986 [0,0,0,1,0,0|2,0,0]=3 313 B6R1.2 OC1CCNC1 HR135087 [0,0,0,1,0,0|2,0,0]=3 314 B6R1.2 OC1CCNC1 HR137212 [0,0,0,1,0,0|2,0,0]=3 315 B6R1.2 OC1CCNC1 HR137477 [0,0,0,1,0,0|2,0,0]=3 316 B6R1.2 OC1CCNC1 HR138968 [0,0,0,1,0,0|2,0,0]=3 317 B6R1.2 OC1CCOC1 HR133245 [0,0,0,1,0,0|1,0,0]=2 318 B6R1.2 OC1CCOC1 HR137216 [0,0,0,1,0,0|1,0,0]=2 319 B6R1.2 OC1CCOC1 HR16209 [0,0,0,1,0,0|1,0,0]=2 320 B6R1.2 OC1CCOC1 HR7071 [0,0,0,1,0,0|1,0,0]=2 321 B6R1.2 OC1CCSC1 HR122102 [0,0,0,1,0,0|1,1,0]=3 322 B6R1.2 SC1CCCC1 HR134369 [0,0,0,1,0,0|2,1,0]=4 323 B6R1.6 BrCC1CCC1 HR23272 [0,0,0,1,0,0|3,0,0]=4 324 B6R1.6 BrCC1CCO1 HR114702 [0,0,0,1,0,0|2,0,0]=3 325 B6R1.6 ICC1CCC1 HR122084 [0,0,0,1,0,0|3,0,0]=4 326 B6R1.6 ICC1CCO1 HR118583 [0,0,0,1,0,0|2,0,0]=3 327 B6R1.6 ICC1COC1 HR146347 [0,0,0,1,0,0|2,0,0]=3 328 B6R1.6 NCC1CCC1 HR100695 [0,0,0,1,0,0|3,0,0]=4 329 B6R1.6 NCC1CCC1 HR102822 [0,0,0,1,0,0|3,0,0]=4 330 B6R1.6 NCC1CCN1 HR112034 [0,0,0,1,0,0|3,0,0]=4 331 B6R1.6 NCC1CNC1 HR148283 [0,0,0,1,0,0|3,0,0]=4 332 B6R1.6 NCC1COC1 HR111829 [0,0,0,1,0,0|2,0,0]=3 333 B6R1.6 OCC1CCC1 HR133510 [0,0,0,1,0,0|2,0,0]=3 334 B6R1.6 OCC1CCN1 HR145899 [0,0,0,1,0,0|2,0,0]=3 335 B6R1.6 OCC1CNC1 HR118895 [0,0,0,1,0,0|2,0,0]=3 336 B6R1.6 OCC1COC1 HR110451 [0,0,0,1,0,0|1,0,0]=2 337 B6R1.7 CC1(CCl)CO1 HR129230 [0,0,0,1,0,0|2,0,0]=3 338 B6R1.7 CC1(CO)CO1 HR110410 [0,0,0,1,0,0|1,0,0]=2 339 B6R1.7 CC1(CO)CO1 HR110726 [0,0,0,1,0,0|1,0,0]=2 340 B6R1.7 NC1(CO)CC1 HR107948 [0,0,0,1,0,0|2,0,0]=3 341 B6R1.7 NC1(CO)CC1 HR111338 [0,0,0,1,0,0|2,0,0]=3 342 B6R1.7 NCC1(O)CC1 HR147126 [0,0,0,1,0,0|2,0,0]=3 343 B3R0.1 BrCCBr TAJB01903 [2,0,0,0,0,0|2,0,0]=4 344 B3R0.1 C#CCO ALJL02901 [2,0,0,0,0,0|0,0,2]=4 345 B3R0.1 CCC=O HR147700 [2,0,0,0,0,0|0,0,2]=4 346 B3R0.1 CCCN HR147701 [2,0,0,0,0,0|1,0,0]=3 347 B3R0.1 CCNC HR124522 [2,0,0,0,0,0|2,0,0]=4 348 B3R0.1 CCNC HR137767 [2,0,0,0,0,0|2,0,0]=4 349 B3R0.1 CCNO HR134189 [2,0,0,0,0,0|1,0,0]=3 350 B3R0.1 CCON HR132609 [2,0,0,0,0,0|2,0,0]=4 351 B3R0.1 CCSC HR132879 [2,0,0,0,0,0|2,0,0]=4 352 B3R0.1 CC[Mg]Br HR122779 [2,0,0,0,0,0|2,0,0]=4 353 B3R0.1 CC[Mg]Cl HR134689 [2,0,0,0,0,0|2,0,0]=4 354 B3R0.1 COCBr HR105342 [2,0,0,0,0,0|2,0,0]=4 355 B3R0.1 ClCCBr TECQ03712 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.1 FCCBr HR133346 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.1 FCCF HR120230 [2,0,0,0,0,0|2,0,0]=4 358 B3R0.1 FCCI HR101380 [2,0,0,0,0,0|2,0,0]=4 359 B3R0.1 ICCI HR124648 [2,0,0,0,0,0|2,0,0]=4 360 B3R0.1 NCCBr HR127529 [2,0,0,0,0,0|2,0,0]=4 361 B3R0.1 NCCCl HR133621 [2,0,0,0,0,0|2,0,0]=4 362 B3R0.1 NCCF HR147282 [2,0,0,0,0,0|2,0,0]=4 363 B3R0.1 NCCN COCQ01602 [2,0,0,0,0,0|2,0,0]=4 364 B3R0.1 NCCN HR101834 [2,0,0,0,0,0|2,0,0]=4 365 B3R0.1 NCCN HR104862 [2,0,0,0,0,0|2,0,0]=4 366 B3R0.1 NCCN HR122122 [2,0,0,0,0,0|2,0,0]=4 367 B3R0.1 NCCO HR107047 [2,0,0,0,0,0|1,0,0]=3 368 B3R0.1 NCCS HR135517 [2,0,0,0,0,0|1,1,0]=4 369 B3R0.1 NCC[NH3+] HR126181 [2,0,0,0,0,0|2,0,0]=4 370 B3R0.1 OCCBr HR30161 [2,0,0,0,0,0|1,0,0]=3 371 B3R0.1 OCCF HR134480 [2,0,0,0,0,0|1,0,0]=3 372 B3R0.1 OCCI HR133619 [2,0,0,0,0,0|1,0,0]=3 373 B3R0.1 OCCO HR137128 [2,0,0,0,0,0|0,0,0]=2 374 B3R0.1 OCCS APSA07216 [2,0,0,0,0,0|0,1,0]=3 375 B3R0.1 SCCS HR136011 [2,0,0,0,0,0|0,2,0]=4 376 B3R0.1 [1*]CC[2*] HR123146 [2,0,0,0,0,0|2,0,0]=4 377 B3R0.1 [1*]CC[2*] HR124954 [2,0,0,0,0,0|2,0,0]=4 378 B3R0.2 BN(C)C HR122788 [2,0,0,0,0,0|2,0,0]=4 379 B3R0.2 C=[N+](C)C HR101548 [2,0,0,0,0,0|2,0,0]=4 380 B3R0.2 CB(O)O HR125352 [2,0,0,0,0,0|1,0,0]=3 381 B3R0.2 CC(=O)O HR101021 [2,0,0,0,0,0|0,0,2]=4 382 B3R0.2 CC(=O)O HR106009 [2,0,0,0,0,0|0,0,2]=4 383 B3R0.2 CC(=O)O HR144874 [2,0,0,0,0,0|0,0,2]=4 384 B3R0.2 CC(C)=O AUSA03806 [2,0,0,0,0,0|0,0,2]=4 385 B3R0.2 CC(C)I HR147635 [2,0,0,0,0,0|1,0,0]=3 386 B3R0.2 CC(C)N ABSA04801 [2,0,0,0,0,0|1,0,0]=3 387 B3R0.2 CC(C)[O-] HR101911 [2,0,0,0,0,0|0,0,1]=3 388 B3R0.2 CC(C)[O-] HR111090 [2,0,0,0,0,0|0,0,1]=3 389 B3R0.2 CC(C)[O-] HR123310 [2,0,0,0,0,0|0,0,1]=3 390 B3R0.2 CC(C)[O-] HR133912 [2,0,0,0,0,0|0,0,1]=3 391 B3R0.2 CC(C)[O-] HR136894 [2,0,0,0,0,0|0,0,1]=3 392 B3R0.2 CC(C)[O-] HR142627 [2,0,0,0,0,0|0,0,1]=3 393 B3R0.2 CC(C)[O-] HR147734 [2,0,0,0,0,0|0,0,1]=3 394 B3R0.2 CN(C)C HR101063 [2,0,0,0,0,0|2,0,0]=4 395 B3R0.2 CP(C)C HR109039 [2,0,0,0,0,0|2,0,0]=4 396 B3R0.2 CP(C)Cl HR114923 [2,0,0,0,0,0|2,0,0]=4 397 B3R0.2 CS(=O)O HR102459 [2,0,0,0,0,0|1,0,1]=4 398 B3R0.2 CS(C)=O HR127060 [2,0,0,0,0,0|1,0,1]=4 399 B3R0.2 C[AlH3](C)C HR147740 [2,0,0,0,0,0|2,0,0]=4 400 B3R0.2 C[Ga](C)C HR135051 [2,0,0,0,0,0|2,0,0]=4 401 B3R0.2 C[In](C)C HR135575 [2,0,0,0,0,0|2,0,0]=4 402 B3R0.2 C[P+](C)=O HR103883 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.2 C[S+](C)C HR129979 [2,0,0,0,0,0|2,0,0]=4 404 B3R0.2 C[S+](C)C HR135958 [2,0,0,0,0,0|2,0,0]=4 405 B3R0.2 C[Sb](C)C HR136634 [2,0,0,0,0,0|2,0,0]=4 406 B3R0.2 C[SiH](C)C HR100161 [2,0,0,0,0,0|1,1,0]=4 407 B3R0.2 C[SiH](C)Cl HR133238 [2,0,0,0,0,0|1,1,0]=4 408 B3R0.2 C[Sn](C)=O HR100537 [2,0,0,0,0,0|1,0,1]=4 409 B3R0.2 O=C(O)O HR100793 [2,0,0,0,0,0|0,0,2]=4 410 B3R0.2 O=S(O)O HR100386 [2,0,0,0,0,0|1,0,1]=4 411 B3R0.2 O=S(O)O HR101764 [2,0,0,0,0,0|1,0,1]=4 412 B3R0.2 O=[Si](O)O HR136637 [2,0,0,0,0,0|0,1,1]=4 413 B3R0.2 O=[Sn](O)O HR126016 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.2 OB(O)O HR134530 [2,0,0,0,0,0|1,0,0]=3 415 B3R0.2 O[AlH3](O)Cl HR145243 [2,0,0,0,0,0|2,0,0]=4 416 B3R0.2 O[Cr](O)O HR101718 [2,0,0,0,0,0|1,0,0]=3 417 B3R0.2 [Li]C(C)C HR113525 [2,0,0,0,0,0|1,0,0]=3 418 B3R0.2 [O-]P(O)O HR124026 [2,0,0,0,0,0|1,0,1]=4 419 B5R0.1 C=C(C)CCO HR139358 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.1 C=CCC(C)O HR101482 [1,1,0,0,0,0|1,0,0]=3 421 B5R0.1 C=CCC(C)O HR144395 [1,1,0,0,0,0|1,0,0]=3 422 B5R0.1 CC(=O)CCO HR131203 [1,1,0,0,0,0|0,0,2]=4 423 B5R0.1 CC(=O)NCO HR105862 [1,1,0,0,0,0|0,0,2]=4 424 B5R0.1 CC(Br)CCBr HR133153 [1,1,0,0,0,0|2,0,0]=4 425 B5R0.1 CC(C)=CCO HR138609 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.1 CC(C)CCI HR3950 [1,1,0,0,0,0|2,0,0]=4 427 B5R0.1 CC(C)C[Mg]Br HR119050 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.1 CC(N)CCO HR115385 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.1 CC(N)CCO HR116440 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.1 CC(N)CCO HR148505 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.1 CC(O)CCO HR109448 [1,1,0,0,0,0|0,0,0]=2 432 B5R0.1 CC(O)CCO HR135973 [1,1,0,0,0,0|0,0,0]=2 433 B5R0.1 CCCB(O)O HR138252 [1,1,0,0,0,0|2,0,0]=4 434 B5R0.1 CCCC(C)Cl HR139357 [1,1,0,0,0,0|2,0,0]=4 435 B5R0.1 CCCC(C)N HR107397 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.1 CCCC(C)O HR136841 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.1 CCCC(C)O HR137349 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.1 CCCC(C)S HR128554 [1,1,0,0,0,0|1,1,0]=4 439 B5R0.1 CN(C)CCO HR147675 [1,1,0,0,0,0|2,0,0]=4 440 B5R0.1 COCC(=O)O HR137614 [1,1,0,0,0,0|0,0,2]=4 441 B5R0.1 COCC(C)=O HR124731 [1,1,0,0,0,0|0,0,2]=4 442 B5R0.1 COCC(C)N HR140312 [1,1,0,0,0,0|1,0,0]=3 443 B5R0.1 COCC(C)O HR106636 [1,1,0,0,0,0|0,0,0]=2 444 B5R0.1 COCC(C)O HR128113 [1,1,0,0,0,0|0,0,0]=2 445 B5R0.1 COCC(C)O HR1904 [1,1,0,0,0,0|0,0,0]=2 446 B5R0.1 NOCC(=O)O HR107090 [1,1,0,0,0,0|0,0,2]=4 447 B5R0.1 O=C(O)CCO HR12598 [1,1,0,0,0,0|0,0,2]=4 448 B5R0.4 C#CC(C)(C)O HR147295 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.4 C=CC(C)(C)O HR139173 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.4 CC(C)(Br)CBr HR100735 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.4 CC(C)(C)CBr HR105387 [1,1,0,0,0,0|2,0,0]=4 452 B5R0.4 CC(C)(C)CCl HR139178 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.4 CC(C)(C)CN HR107357 [1,1,0,0,0,0|2,0,0]=4 454 B5R0.4 CC(C)(C)CO HR134947 [1,1,0,0,0,0|1,0,0]=3 455 B5R0.4 CC(C)(C)NO HR111804 [1,1,0,0,0,0|2,0,0]=4 456 B5R0.4 CC(C)(Cl)CCl HR100132 [1,1,0,0,0,0|2,0,0]=4 457 B5R0.4 CC(C)(F)CO HR116025 [1,1,0,0,0,0|1,0,0]=3 458 B5R0.4 CC(C)(N)CN HR33168 [1,1,0,0,0,0|2,0,0]=4 459 B5R0.4 CC(C)(N)CO HR101551 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.4 CC(C)(N)CO HR137135 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.4 CC(C)(N)CO HR2208 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.4 CC(C)(O)CCl HR122214 [1,1,0,0,0,0|1,0,0]=3 463 B5R0.4 CC(C)(O)CN HR119672 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.4 CC(C)(O)CO HR110394 [1,1,0,0,0,0|0,0,0]=2 465 B5R0.4 CC(F)(F)CN HR127484 [1,1,0,0,0,0|2,0,0]=4 466 B5R0.4 CC(F)(F)CO HR129092 [1,1,0,0,0,0|1,0,0]=3 467 B5R0.4 CCC(C)(C)N HR144592 [1,1,0,0,0,0|2,0,0]=4 468 B5R0.4 CCC(C)(C)[O-] HR107494 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.4 CCC(C)(C)[O-] HR122136 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.4 C[Si](C)(C)CO HR109002 [1,1,0,0,0,0|1,1,0]=4 471 B5R0.4 O=P(O)(O)CCl HR104795 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.4 OCC(Br)(Br)Br HR127061 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.4 OCC(Cl)(Cl)Cl HR127385 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.4 OCC(F)(F)F HR147080 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.5 CC(Br)C(=O)O HR118834 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.5 CC(Br)C(=O)O HR119145 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.5 CC(C)B(O)O HR125100 [1,1,0,0,0,0|2,0,0]=4 478 B5R0.5 CC(C)C(C)N HR121679 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.5 CC(C)C(C)S HR123979 [1,1,0,0,0,0|1,1,0]=4 480 B5R0.5 CC(Cl)C(=O)O HR133703 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.5 CC(Cl)C(=O)O HR5746 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.5 CC(F)C(=O)O HR125319 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.5 CC(N)B(O)O HR32488 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.5 CC(N)B(O)O HR32531 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.5 CC(N)B(O)O HR32539 [1,1,0,0,0,0|2,0,0]=4 486 B5R0.5 CC(N)C(=O)O HR127064 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.5 CC(N)C(=O)O HR128842 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.5 CC(N)C(=O)O HR135609 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.5 CC(N)C(=O)O HR143449 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.5 CC(N)C(C)O HR115270 [1,1,0,0,0,0|1,0,0]=3 491 B5R0.5 CC(N)[13C](=O)O HR144974 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.5 CC(O)C(=O)O HR122637 [1,1,0,0,0,0|0,0,1]=3 493 B5R0.5 CC(O)C(=O)O HR124397 [1,1,0,0,0,0|0,0,1]=3 494 B5R0.5 CC(O)C(=O)O HR137557 [1,1,0,0,0,0|0,0,1]=3 495 B5R0.5 CC(O)C(=O)[O-] HR101208 [1,1,0,0,0,0|0,0,2]=4 496 B5R0.5 CC(O)C(=O)[O-] HR124337 [1,1,0,0,0,0|0,0,2]=4 497 B5R0.5 CC(O)C(=O)[O-] HR125547 [1,1,0,0,0,0|0,0,2]=4 498 B5R0.5 CC(O)C(=O)[O-] HR126089 [1,1,0,0,0,0|0,0,2]=4 499 B5R0.5 CC(O)C(=O)[O-] HR127008 [1,1,0,0,0,0|0,0,2]=4 500 B5R0.5 CC(O)C(=O)[O-] HR127541 [1,1,0,0,0,0|0,0,2]=4 501 B5R0.5 CC(O)C(=O)[O-] HR127693 [1,1,0,0,0,0|0,0,2]=4 502 B5R0.5 CC(O)C(=O)[O-] HR132263 [1,1,0,0,0,0|0,0,2]=4 503 B5R0.5 CC(O)C(C)O HR128860 [1,1,0,0,0,0|0,0,0]=2 504 B5R0.5 CC(O)C(C)O HR129128 [1,1,0,0,0,0|0,0,0]=2 505 B5R0.5 CC(O)C(C)O HR130175 [1,1,0,0,0,0|0,0,0]=2 506 B5R0.5 CC(O)C(N)=O HR103895 [1,1,0,0,0,0|0,0,2]=4 507 B5R0.5 CC(O)C(N)=O HR125386 [1,1,0,0,0,0|0,0,2]=4 508 B5R0.5 CC(S)C(C)S HR129973 [1,1,0,0,0,0|0,2,0]=4 509 B5R0.5 C[13CH](N)C(=O)O HR143521 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.5 OB(O)B(O)O HR116740 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.5 [13CH3]C(N)C(=O)O HR141384 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.5 [13CH3]C(N)C(=O)O HR144202 [1,1,0,0,0,0|1,0,1]=4 513 B5R0.2 BrCCCCBr HR135783 [1,1,0,0,0,0|2,0,0]=4 514 B5R0.2 C#CCCCBr HR107694 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.2 C#CCCCCl HR138891 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.2 C#CCCCO VIJL03307 [1,1,0,0,0,0|1,0,0]=3 517 B5R0.2 C=CCCCBr HR138516 [1,1,0,0,0,0|2,0,0]=4 518 B5R0.2 C=CCCCN HR114551 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.2 C=CCCCO HR127694 [1,1,0,0,0,0|1,0,0]=3 520 B5R0.2 C=COCCO HR122391 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.2 CCC#CCO HR139189 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.2 CCCCSC HR128739 [1,1,0,0,0,0|1,1,0]=4 523 B5R0.2 CCCC[Mg]Cl HR114410 [1,1,0,0,0,0|2,0,0]=4 524 B5R0.2 CCCNCC HR129859 [1,1,0,0,0,0|2,0,0]=4 525 B5R0.2 CCCSCC HR131098 [1,1,0,0,0,0|2,0,0]=4 526 B5R0.2 CCNCCN HR124923 [1,1,0,0,0,0|2,0,0]=4 527 B5R0.2 CCNCCO HR131326 [1,1,0,0,0,0|1,0,0]=3 528 B5R0.2 CCOCCBr HR147270 [1,1,0,0,0,0|2,0,0]=4 529 B5R0.2 CCOCCCl HR125621 [1,1,0,0,0,0|2,0,0]=4 530 B5R0.2 CCOCCN HR133098 [1,1,0,0,0,0|2,0,0]=4 531 B5R0.2 CCOCCN HR141597 [1,1,0,0,0,0|2,0,0]=4 532 B5R0.2 CCSCCCl HR138028 [1,1,0,0,0,0|2,0,0]=4 533 B5R0.2 CNCCCN HR127543 [1,1,0,0,0,0|2,0,0]=4 534 B5R0.2 COCCC#N HR131327 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.2 COCCCBr HR11240 [1,1,0,0,0,0|1,0,0]=3 536 B5R0.2 COCCCCl HR128474 [1,1,0,0,0,0|1,0,0]=3 537 B5R0.2 COCCCN HR131273 [1,1,0,0,0,0|1,0,0]=3 538 B5R0.2 COCCCO HR1936 [1,1,0,0,0,0|0,0,0]=2 539 B5R0.2 COCCOC HR147135 [1,1,0,0,0,0|2,0,0]=4 540 B5R0.2 CSCCCCl HR118093 [1,1,0,0,0,0|1,1,0]=4 541 B5R0.2 ClCCCCBr AZXF00302 [1,1,0,0,0,0|2,0,0]=4 542 B5R0.2 ClCCCCI HR102777 [1,1,0,0,0,0|2,0,0]=4 543 B5R0.2 ICCCCI HR127157 [1,1,0,0,0,0|2,0,0]=4 544 B5R0.2 N#CCCCBr HR128031 [1,1,0,0,0,0|2,0,0]=4 545 B5R0.2 N#CCCCCl HR129927 [1,1,0,0,0,0|2,0,0]=4 546 B5R0.2 NCCCCBr HR148711 [1,1,0,0,0,0|2,0,0]=4 547 B5R0.2 NCCCCN HR123185 [1,1,0,0,0,0|2,0,0]=4 548 B5R0.2 NCCCCO HR105259 [1,1,0,0,0,0|1,0,0]=3 549 B5R0.2 NC\C=C\CO HR108338 [1,1,0,0,0,0|1,0,1]=4 550 B5R0.2 O=COCCO HR145529 [1,1,0,0,0,0|0,0,2]=4 551 B5R0.2 OCC#CCO HR131801 [1,1,0,0,0,0|0,0,1]=3 552 B5R0.2 OCCCCCl HR129662 [1,1,0,0,0,0|1,0,0]=3 553 B5R0.2 OC\C=C\CCl HR102138 [1,1,0,0,0,0|1,0,1]=4 554 B5R0.2 OC\C=C\CO HR109258 [1,1,0,0,0,0|0,0,1]=3 555 B5R0.2 OC\C=C\CO HR127834 [1,1,0,0,0,0|0,0,1]=3 556 B5R0.2 OC\C=C\CO HR134158 [1,1,0,0,0,0|0,0,1]=3 557 B5R0.2 SCCCCS HR128290 [1,1,0,0,0,0|0,2,0]=4 558 B7R0.2 CC(C)CC(N)CO HR123929 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.2 CC(C)CC(N)CO HR30172 [0,2,0,0,0,0|2,0,0]=4 560 B7R0.2 CCC(C)CC(=O)O HR11273 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.2 CCC(C)CC(=O)O HR135865 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.2 CCC(N)CC(=O)O HR114631 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.2 CCC(N)CC(=O)O HR143295 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.2 CCC(N)CC(=O)O HR147022 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.2 CN(C)CC(O)CO HR136676 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.2 CN(C)CC(O)CO HR145868 [0,2,0,0,0,0|1,0,0]=3 567 B7R0.2 NCC(O)CC(=O)O HR137304 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.3 C#CCOC(C)CO HR141248 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.3 CC(CO)CCCO HR145878 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.3 CCC(C)CCCO HR119648 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.3 CCCCC(O)CC HR100535 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.3 CCCCC(O)CO HR100017 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.3 COCOC(C)CO HR116453 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.3 CSCCC(N)CO HR124191 [0,2,0,0,0,0|1,1,0]=4 576 B7R0.3 CSCCC(N)CO HR124440 [0,2,0,0,0,0|1,1,0]=4 577 B7R0.5 CCCC(O)C(C)C HR101888 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.5 COCC(N)C(=O)O HR108882 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.5 COCC(N)C(=O)O HR109701 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.5 COCC(N)C(=O)O HR110015 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.5 COCC(N)C(=O)O HR115078 [0,2,0,0,0,0|1,0,1]=4 582 B7R0.5 COCC(N)C(=O)O HR115700 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.5 NC(CCO)C(=O)O HR122160 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.5 NC(CCO)C(=O)O HR127129 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.5 NC(CCO)C(=O)O HR129910 [0,2,0,0,0,0|1,0,1]=4 586 B7R0.7 C=CCC(O)CC=C HR121999 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.7 CC(CCO)CCO HR143828 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.7 CCCC(C)CCO HR101631 [0,2,0,0,0,0|2,0,0]=4 589 B7R0.7 CCCC(S)CCO HR131891 [0,2,0,0,0,0|1,1,0]=4 590 B7R0.7 CN(CCO)CCO HR128660 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.7 COCC(N)COC HR110454 [0,2,0,0,0,0|1,0,0]=3 592 B7R0.7 COCC(O)COC HR132165 [0,2,0,0,0,0|0,0,0]=2 593 B7R0.7 CSCC(O)CNN HR121914 [0,2,0,0,0,0|1,1,0]=4 594 B7R0.7 N#CCC(O)CC#N HR128922 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.7 O=C(NCO)NCO HR129137 [0,2,0,0,0,0|0,0,2]=4 596 B7R0.10 C=CC(O)C(O)C=C HR125909 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.10 CCC(C)C(N)CO HR103998 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.10 CCC(C)C(N)CO HR123663 [0,2,0,0,0,0|2,0,0]=4 599 B7R0.10 CCC(O)C(=O)OC HR144357 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.10 CCC(S)C(C)CO HR125550 [0,2,0,0,0,0|1,1,0]=4 601 B7R0.10 COC(=O)C(C)CO HR144262 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.10 COC(=O)C(N)CO HR126639 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.10 COC(=O)C(N)CO HR134950 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.10 COC(=O)C(N)CO HR136274 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.10 COC(=O)C(N)CO HR146542 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.10 COC(=O)C(O)CO HR119304 [0,2,0,0,0,0|0,0,1]=3 607 B7R0.10 O=C(CO)C(O)CO HR100190 [0,2,0,0,0,0|0,0,0]=2 608 B7R0.10 O=CC(O)C(O)CO HR100969 [0,2,0,0,0,0|0,0,0]=2 609 B7R0.10 O=CC(O)C(O)CO HR101757 [0,2,0,0,0,0|0,0,0]=2 610 B7R0.10 OC(CBr)C(O)CBr HR101850 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.10 OC(CBr)C(O)CBr HR124879 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.10 OC(CS)C(O)CS HR112206 [0,2,0,0,0,0|0,1,0]=3 613 B7R0.10 OC(CS)C(O)CS HR123346 [0,2,0,0,0,0|0,1,0]=3 614 B7R0.10 OC(CS)C(O)CS HR124424 [0,2,0,0,0,0|0,1,0]=3 615 B7R0.10 OCC(Br)C(Br)CO HR100633 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.10 OCC(O)C(O)CO HR124411 [0,2,0,0,0,0|0,0,0]=2 617 B7R0.10 OCC(O)C(O)CO HR141089 [0,2,0,0,0,0|0,0,0]=2 618 B7R0.10 OC\C(Br)=C(/Br)CO HR126909 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.11 CCCC(C)(O)CC HR122193 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.11 CCOC(C)(O)CO HR111902 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.12 CCCC(CO)CO HR122880 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.12 CCNC(CC)CO HR103906 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.12 COCC(OC)OC HR140439 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.13 CC(C)(CO)C(=O)O HR140236 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.13 CC(N)(CO)C(=O)O HR130651 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.13 CC(O)(CBr)C(=O)O HR104334 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.13 CCC(C)(O)C(=O)O HR124635 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.13 OCC(F)(F)C(F)F IDSA06808 [0,2,0,0,0,0|2,0,0]=4 629 B7R0.14 CC(C)(C)C(N)CO HR124922 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.14 CC(C)(C)C(N)CO HR133965 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.14 CCC(O)C(C)(C)C HR139949 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.14 OC(CBr)C(F)(F)F HR117644 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.14 OCC(Br)C(F)(F)F HR116500 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.15 CCC(CC)C(=O)O HR140709 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.15 CNC(CO)C(=O)O HR112824 [0,2,0,0,0,0|1,0,1]=4 636 B7R0.15 O=C(O)C(CBr)CBr HR103071 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.16 CC(C)C(O)C(=O)O HR124143 [0,2,0,0,0,0|1,0,1]=4 638 B7R0.16 CC(C)C(O)C(C)C HR135657 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.16 CC(O)C(N)C(=O)O HR126335 [0,2,0,0,0,0|1,0,1]=4 640 B7R0.16 CC(O)C(N)C(=O)O HR128851 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.16 CC(O)C(N)C(=O)O HR129391 [0,2,0,0,0,0|1,0,1]=4 642 B7R0.16 CC(O)C(N)C(=O)O HR129491 [0,2,0,0,0,0|1,0,1]=4 643 B7R0.16 CC(O)C(N)C(=O)O HR135216 [0,2,0,0,0,0|1,0,1]=4 644 B7R0.16 CC(O)C(N)C(=O)O HR138779 [0,2,0,0,0,0|1,0,1]=4 645 B7R0.16 O=C(O)C(O)C(=O)O HR2066 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.18 C#CC(O)(CC)CC HR104690 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.18 CC(CO)(CO)CO HR106944 [0,2,0,0,0,0|0,0,0]=2 648 B7R0.18 CCC(C)(CO)CO HR143616 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.18 CCC(N)(CO)CO HR139449 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.18 NC(CO)(CO)CO HR123120 [0,2,0,0,0,0|0,0,0]=2 651 B7R0.18 NC(CO)(CO)CO HR123384 [0,2,0,0,0,0|0,0,0]=2 652 B7R0.18 NC(CO)(CO)CO HR133610 [0,2,0,0,0,0|0,0,0]=2 653 B5R1.2 BrC1CCC1 HR102749 [1,0,0,1,0,0|2,0,0]=4 654 B5R1.2 BrC1COC1 HR115176 [1,0,0,1,0,0|1,0,0]=3 655 B5R1.2 CC1CNC1 HR148337 [1,0,0,1,0,0|2,0,0]=4 656 B5R1.2 CC1COC1 HR120786 [1,0,0,1,0,0|1,0,0]=3 657 B5R1.2 ClC1CCC1 HR137502 [1,0,0,1,0,0|2,0,0]=4 658 B5R1.2 FC1CNC1 HR114564 [1,0,0,1,0,0|2,0,0]=4 659 B5R1.2 FC1CNC1 HR119590 [1,0,0,1,0,0|2,0,0]=4 660 B5R1.2 FC1COC1 HR108703 [1,0,0,1,0,0|1,0,0]=3 661 B5R1.2 IC1COC1 HR115483 [1,0,0,1,0,0|1,0,0]=3 662 B5R1.2 NC1CCC1 HR102182 [1,0,0,1,0,0|2,0,0]=4 663 B5R1.2 NC1CCC1 HR132878 [1,0,0,1,0,0|2,0,0]=4 664 B5R1.2 NC1CNC1 HR109096 [1,0,0,1,0,0|2,0,0]=4 665 B5R1.2 NC1COC1 HR102200 [1,0,0,1,0,0|1,0,0]=3 666 B5R1.2 NC1COC1 HR115802 [1,0,0,1,0,0|1,0,0]=3 667 B5R1.2 NC1CSC1 HR112586 [1,0,0,1,0,0|1,1,0]=4 668 B5R1.2 O=C1COC1 HR111276 [1,0,0,1,0,0|0,0,2]=4 669 B5R1.2 OC1CCC1 HR128363 [1,0,0,1,0,0|1,0,0]=3 670 B5R1.2 OC1CNC1 HR114549 [1,0,0,1,0,0|1,0,0]=3 671 B5R1.2 OC1CNC1 HR30109 [1,0,0,1,0,0|1,0,0]=3 672 B5R1.2 OC1COC1 HR111585 [1,0,0,1,0,0|0,0,0]=2 673 B5R1.2 OC1CSC1 HR112439 [1,0,0,1,0,0|0,1,0]=3 674 B5R1.3 BrCC1CC1 HR30148 [1,0,0,1,0,0|2,0,0]=4 675 B5R1.3 CCC1CO1 HR112534 [1,0,0,1,0,0|1,0,0]=3 676 B5R1.3 CCC1CO1 HR129561 [1,0,0,1,0,0|1,0,0]=3 677 B5R1.3 ClCC1CC1 HR125156 [1,0,0,1,0,0|2,0,0]=4 678 B5R1.3 ClCC1CO1 ARJL02208 [1,0,0,1,0,0|1,0,0]=3 679 B5R1.3 ClCC1CO1 HR121112 [1,0,0,1,0,0|1,0,0]=3 680 B5R1.3 NCC1CC1 HR135954 [1,0,0,1,0,0|2,0,0]=4 681 B5R1.3 OCC1CC1 HR9773 [1,0,0,1,0,0|1,0,0]=3 682 B5R1.3 OCC1CO1 HR101323 [1,0,0,1,0,0|0,0,0]=2 683 B5R1.3 OCC1CO1 HR138217 [1,0,0,1,0,0|0,0,0]=2 684 B5R1.3 OCC1CO1 HR138484 [1,0,0,1,0,0|0,0,0]=2 685 B5R1.4 CC1OC1C HR131286 [1,0,0,1,0,0|1,0,0]=3 686 B5R1.5 CC1(C)CO1 HR111000 [1,0,0,1,0,0|1,0,0]=3 687 B5R1.5 CC1(N)CC1 HR148735 [1,0,0,1,0,0|2,0,0]=4 688 B5R1.5 CC1(O)CC1 HR103926 [1,0,0,1,0,0|1,0,0]=3 689 B5R1.1 C1=COCC1 CEJL02606 [1,0,0,1,0,0|1,0,1]=4 690 B5R1.1 C1CCNC1 HR147708 [1,0,0,1,0,0|2,0,0]=4 691 B5R1.1 C1CCOC1 HR118830 [1,0,0,1,0,0|1,0,0]=3 692 B5R1.1 C1CCOC1 HR130654 [1,0,0,1,0,0|1,0,0]=3 693 B7R1.1 BrCC1CCCO1 HR129840 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.1 BrCC1CCOC1 HR103769 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.1 BrCC1OCCO1 HR132681 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.1 CNC1CCOC1 HR117706 [0,1,0,1,0,0|2,0,0]=4 697 B7R1.1 CNC1CCOC1 HR119346 [0,1,0,1,0,0|2,0,0]=4 698 B7R1.1 COC1CCCC1 HR102853 [0,1,0,1,0,0|2,0,0]=4 699 B7R1.1 COC1CCNC1 HR108681 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.1 COC1CCNC1 HR121825 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.1 COC1CCNC1 HR145941 [0,1,0,1,0,0|2,0,0]=4 702 B7R1.1 COC1CCNC1 HR145942 [0,1,0,1,0,0|2,0,0]=4 703 B7R1.1 COC1CCNC1 HR147769 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.1 COC1CCNC1 HR147770 [0,1,0,1,0,0|2,0,0]=4 705 B7R1.1 ClCC1CCCO1 HR119687 [0,1,0,1,0,0|2,0,0]=4 706 B7R1.1 ClCC1OCCO1 HR129577 [0,1,0,1,0,0|2,0,0]=4 707 B7R1.1 N#CC1CCOC1 HR111588 [0,1,0,1,0,0|2,0,0]=4 708 B7R1.1 NCC1CCCO1 HR130884 [0,1,0,1,0,0|2,0,0]=4 709 B7R1.1 NCC1CCCO1 HR146003 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.1 NCC1CCOC1 HR112138 [0,1,0,1,0,0|2,0,0]=4 711 B7R1.1 O=CC1CCOC1 HR111279 [0,1,0,1,0,0|1,0,1]=4 712 B7R1.1 OCC1CC=CC1 HR106689 [0,1,0,1,0,0|2,0,0]=4 713 B7R1.1 OCC1CCCC1 HR132881 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.1 OCC1CCCN1 HR103019 [0,1,0,1,0,0|2,0,0]=4 715 B7R1.1 OCC1CCCN1 HR127601 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.1 OCC1CCCN1 HR137906 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.1 OCC1CCCO1 HR7086 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.1 OCC1CCNC1 HR102864 [0,1,0,1,0,0|2,0,0]=4 719 B7R1.1 OCC1CCNC1 HR103174 [0,1,0,1,0,0|2,0,0]=4 720 B7R1.1 OCC1CCNC1 HR106887 [0,1,0,1,0,0|2,0,0]=4 721 B7R1.1 OCC1CCNC1 HR120104 [0,1,0,1,0,0|2,0,0]=4 722 B7R1.1 OCC1CCOC1 HR103184 [0,1,0,1,0,0|1,0,0]=3 723 B7R1.1 OCC1CCOC1 HR114642 [0,1,0,1,0,0|1,0,0]=3 724 B7R1.1 OCC1CCOC1 HR114966 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.1 OCC1COCO1 HR124575 [0,1,0,1,0,0|0,0,0]=2 726 B7R1.1 OCC1OCCS1 APSA07208 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.2 CC1COC(C)O1 HR111400 [0,1,0,1,0,0|2,0,0]=4 728 B7R1.2 CN1CCC(O)C1 HR127095 [0,1,0,1,0,0|2,0,0]=4 729 B7R1.2 CN1CCC(O)C1 HR138502 [0,1,0,1,0,0|2,0,0]=4 730 B7R1.2 CN1CCC(O)C1 HR138762 [0,1,0,1,0,0|2,0,0]=4 731 B7R1.2 NC1CCC(O)C1 HR146093 [0,1,0,1,0,0|2,0,0]=4 732 B7R1.2 NC1CCC(O)C1 HR146099 [0,1,0,1,0,0|2,0,0]=4 733 B7R1.2 NC1CCC(O)C1 HR146100 [0,1,0,1,0,0|2,0,0]=4 734 B7R1.2 NC1CCC(O)C1 HR146101 [0,1,0,1,0,0|2,0,0]=4 735 B7R1.2 NC1CCC(O)C1 HR146102 [0,1,0,1,0,0|2,0,0]=4 736 B7R1.2 NC1CCC(O)C1 HR146103 [0,1,0,1,0,0|2,0,0]=4 737 B7R1.2 NC1CCC(O)C1 HR146104 [0,1,0,1,0,0|2,0,0]=4 738 B7R1.2 NC1CCC(O)C1 HR146105 [0,1,0,1,0,0|2,0,0]=4 739 B7R1.2 NC1CCC(O)C1 HR148648 [0,1,0,1,0,0|2,0,0]=4 740 B7R1.2 NC1CCC(O)C1 HR30204 [0,1,0,1,0,0|2,0,0]=4 741 B7R1.2 NC1COC(=O)C1 HR14757 [0,1,0,1,0,0|1,0,1]=4 742 B7R1.2 NC1COC(=O)C1 HR14758 [0,1,0,1,0,0|1,0,1]=4 743 B7R1.2 O=C1CC(O)CN1 HR138458 [0,1,0,1,0,0|1,0,1]=4 744 B7R1.2 O=C1CC(O)CN1 HR138722 [0,1,0,1,0,0|1,0,1]=4 745 B7R1.2 O=C1CC(O)CN1 HR145864 [0,1,0,1,0,0|1,0,1]=4 746 B7R1.2 O=C1CC(O)CO1 HR126625 [0,1,0,1,0,0|0,0,1]=3 747 B7R1.2 O=C1CC(O)CO1 HR127054 [0,1,0,1,0,0|0,0,1]=3 748 B7R1.3 BrC1CCCOC1 HR120914 [0,1,0,1,0,0|2,0,0]=4 749 B7R1.3 BrC1CCOCC1 HR116270 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.3 CC1COCCN1 HR104376 [0,1,0,1,0,0|2,0,0]=4 751 B7R1.3 CC1COCCN1 HR113604 [0,1,0,1,0,0|2,0,0]=4 752 B7R1.3 CC1COCCN1 HR11363 [0,1,0,1,0,0|2,0,0]=4 753 B7R1.3 CC1COCCN1 HR17226 [0,1,0,1,0,0|2,0,0]=4 754 B7R1.3 CC1COCCN1 HR17244 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.3 ClC1CCCOC1 HR146388 [0,1,0,1,0,0|2,0,0]=4 756 B7R1.3 ClC1CCOCC1 EDCQ03603 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.3 IC1CCOCC1 HR108494 [0,1,0,1,0,0|2,0,0]=4 758 B7R1.3 NC1CCCOC1 HR101943 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.3 NC1CCCOC1 HR105701 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.3 NC1CCCOC1 HR114985 [0,1,0,1,0,0|2,0,0]=4 761 B7R1.3 NC1CCCOC1 HR121806 [0,1,0,1,0,0|2,0,0]=4 762 B7R1.3 NC1CCOCC1 HR113158 [0,1,0,1,0,0|2,0,0]=4 763 B7R1.3 NC1CCOCC1 HR133397 [0,1,0,1,0,0|2,0,0]=4 764 B7R1.3 NC1CCOCC1 HR9558 [0,1,0,1,0,0|2,0,0]=4 765 B7R1.3 OC1CCCCC1 HR122340 [0,1,0,1,0,0|2,0,0]=4 766 B7R1.3 OC1CCCNC1 HR11310 [0,1,0,1,0,0|2,0,0]=4 767 B7R1.3 OC1CCCNC1 HR122384 [0,1,0,1,0,0|2,0,0]=4 768 B7R1.3 OC1CCCNC1 HR128253 [0,1,0,1,0,0|2,0,0]=4 769 B7R1.3 OC1CCCNC1 HR138469 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.3 OC1CCCOC1 HR105061 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.3 OC1CCNCC1 ACSA02513 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.3 OC1CCNCC1 HR132750 [0,1,0,1,0,0|2,0,0]=4 773 B7R1.3 OC1CCOCC1 HR10170 [0,1,0,1,0,0|1,0,0]=3 774 B7R1.3 OC1CCSCC1 HR117672 [0,1,0,1,0,0|1,1,0]=4 775 B7R1.3 OC1COCOC1 HR132891 [0,1,0,1,0,0|0,0,0]=2 776 B7R1.3 SC1CCOCC1 HR143968 [0,1,0,1,0,0|1,1,0]=4 777 B7R1.4 CC1OCCC1S HR131287 [0,1,0,1,0,0|1,1,0]=4 778 B7R1.4 ClC1CCOC1Cl HR130865 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.4 NC1CCCC1O HR123573 [0,1,0,1,0,0|2,0,0]=4 780 B7R1.4 NC1CCCC1O HR126055 [0,1,0,1,0,0|2,0,0]=4 781 B7R1.4 NC1CCCC1O HR126723 [0,1,0,1,0,0|2,0,0]=4 782 B7R1.4 NC1CCCC1O HR135381 [0,1,0,1,0,0|2,0,0]=4 783 B7R1.4 NC1CCCC1O HR142701 [0,1,0,1,0,0|2,0,0]=4 784 B7R1.4 NC1CNCC1O HR146002 [0,1,0,1,0,0|2,0,0]=4 785 B7R1.4 NC1COCC1O HR101952 [0,1,0,1,0,0|1,0,0]=3 786 B7R1.4 OC1CCCC1O HR141990 [0,1,0,1,0,0|1,0,0]=3 787 B7R1.4 OC1CCCC1O HR144744 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.4 OC1CNCC1F HR150226 [0,1,0,1,0,0|2,0,0]=4 789 B7R1.4 OC1CNCC1O HR102451 [0,1,0,1,0,0|1,0,0]=3 790 B7R1.4 OC1CNCC1O HR102769 [0,1,0,1,0,0|1,0,0]=3 791 B7R1.4 OC1CNCC1O HR135572 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.6 OCCC1COC1 HR102073 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.10 O=C1CC(CO)C1 HR103458 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.25 CC1(CBr)COC1 HR108386 [0,1,0,1,0,0|2,0,0]=4 795 B7R1.25 CC1(CI)COC1 HR107437 [0,1,0,1,0,0|2,0,0]=4 796 B7R1.25 CC1(CN)COC1 HR107122 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.25 CC1(CO)COC1 CRCQ00501 [0,1,0,1,0,0|1,0,0]=3 798 B7R1.25 NCC1(O)CCC1 HR148247 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.25 OCC1(F)CNC1 HR150508 [0,1,0,1,0,0|2,0,0]=4 800 B7R1.18 CC(O)C1CCC1 HR147156 [0,1,0,1,0,0|2,0,0]=4 801 B7R1.18 O=C(O)C1CCO1 HR109624 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.18 O=C(O)C1COC1 HR111082 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.19 O=C(O)C1(O)CC1 HR130601 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.23 OCC1CC1(F)F HR118436 [0,1,0,1,0,0|2,0,0]=4 805 B7R1.14 CC1(O)CCCC1 HR125170 [0,1,0,1,0,0|2,0,0]=4 806 B7R1.14 CC1(O)CCNC1 HR149014 [0,1,0,1,0,0|2,0,0]=4 807 B7R1.29 OCC1(CO)CC1 HR145846 [0,1,0,1,0,0|1,0,0]=3 808 B7R2.13 C1CC2OC2C1 HR128675 [0,0,0,2,0,0|2,0,0]=4 809 B7R2.13 C1OCC2OC12 HR125664 [0,0,0,2,0,0|1,0,0]=3