0 B5R0.1 C#CCC(=O)O HR107056 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CCO HR139358 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 C=C(C)C[Mg]Cl HR118348 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C=C(C)OCC HR135003 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C=CCC(=O)O HR124911 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 C=CCC(C)O HR101482 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 C=CCC(C)O HR144395 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 C=CCN(C)C HR103500 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=CC[SiH](C)C HR121456 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 C=COC(C)C HR122658 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(=O)CCCl HR106274 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.1 CC(=O)CCO HR131203 [0,0,0,0,0,0|0,0,2]=2 12 B5R0.1 CC(=O)NCO HR105862 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 CC(=O)OCBr HR127457 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CC(=O)OCCl HR101207 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 CC(=O)\C=N\O HR126710 [0,0,0,0,0,0|1,0,3]=4 16 B5R0.1 CC(Br)CCBr HR133153 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CC(C)=CCBr HR133883 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 CC(C)=CCCl HR127820 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.1 CC(C)=CCN HR114772 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 CC(C)=CCO HR138609 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.1 CC(C)=CCS HR143870 [0,0,0,0,0,0|1,1,2]=4 22 B5R0.1 CC(C)CCI HR3950 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 CC(C)C[Mg]Br HR119050 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 CC(C)N=C=S HR132780 [0,0,0,0,0,0|2,1,1]=4 25 B5R0.1 CC(C)O[AlH3]=O HR145538 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 CC(N)CCO HR115385 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.1 CC(N)CCO HR116440 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.1 CC(N)CCO HR148505 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.1 CC(O)CCO HR109448 [0,0,0,0,0,0|0,0,0]=0 30 B5R0.1 CC(O)CCO HR135973 [0,0,0,0,0,0|0,0,0]=0 31 B5R0.1 CCCB(O)O HR138252 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 CCCC(=N)N HR126811 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 CCCC(=O)Cl HR147587 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CCCC(=O)[O-] HR129884 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.1 CCCC(=O)[O-] HR137474 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.1 CCCC(C)Cl HR139357 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.1 CCCC(C)N HR107397 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.1 CCCC(C)O HR136841 [0,0,0,0,0,0|1,0,0]=1 39 B5R0.1 CCCC(C)O HR137349 [0,0,0,0,0,0|1,0,0]=1 40 B5R0.1 CCCC(C)S HR128554 [0,0,0,0,0,0|1,1,0]=2 41 B5R0.1 CCCC(N)=O HR137715 [0,0,0,0,0,0|2,0,2]=4 42 B5R0.1 CCNC(C)=O HR100775 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.1 CCOC(C)=N HR126641 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CCSC(C)=O HR138399 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.1 CCSC(C)=S HR129552 [0,0,0,0,0,0|2,1,1]=4 46 B5R0.1 CN(C)CCBr HR119410 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.1 CN(C)CCCl HR136060 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.1 CN(C)CCCl HR146713 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.1 CN(C)CCN HR136677 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.1 CN(C)CCO HR147675 [0,0,0,0,0,0|2,0,0]=2 51 B5R0.1 CN(C)CCS HR128457 [0,0,0,0,0,0|2,1,0]=3 52 B5R0.1 CN(C)CCS HR129079 [0,0,0,0,0,0|2,1,0]=3 53 B5R0.1 CNCC(=O)O HR132326 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.1 COCC(=O)O HR137614 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 COCC(C)=O HR124731 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 COCC(C)N HR140312 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.1 COCC(C)O HR106636 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.1 COCC(C)O HR128113 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.1 COCC(C)O HR1904 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.1 CSCC(C)=O HR104929 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 C[AlH3](C)C[Ti]Cl HR142919 [0,0,0,0,0,0|4,0,0]=4 62 B5R0.1 ClC[SiH2]C(Cl)Cl HR125461 [0,0,0,0,0,0|3,1,0]=4 63 B5R0.1 N#CCC(=O)O HR146964 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 NC(=O)CCO HR101159 [0,0,0,0,0,0|1,0,2]=3 65 B5R0.1 NC(=O)NCO HR121643 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 NCCC(=O)O HR120135 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 NCCC(=O)O HR136538 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 NCCC(N)=O HR123050 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.1 NOCC(=O)O HR107090 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.1 O=C(Cl)CCBr HR132550 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.1 O=C(Cl)CCCl HR125686 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.1 O=C(O)CCBr HR146768 [0,0,0,0,0,0|2,0,1]=3 73 B5R0.1 O=C(O)CCI HR118002 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.1 O=C(O)CCO HR12598 [0,0,0,0,0,0|1,0,1]=2 75 B5R0.1 O=C(O)CCS BACQ02107 [0,0,0,0,0,0|1,1,1]=3 76 B5R0.1 O=[N+]([O-])CCO HR122802 [0,0,0,0,0,0|2,0,1]=3 77 B5R0.1 PCCC(Cl)Cl HR114598 [0,0,0,0,0,0|3,0,0]=3 78 B4R0.1 C#CC(C)O HR104349 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.1 C=C(C)CBr HR118272 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 C=C(C)CN HR103061 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 C=C(C)OC HR127251 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 C=CC(C)N HR115106 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 C=CC(C)N HR115412 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 C=CC(C)O HR107775 [1,0,0,0,0,0|0,0,2]=3 85 B4R0.1 CC(=O)CBr HR147584 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.1 CC(=O)CCl HR146994 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.1 CC(=O)CN HR103911 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 CC(=O)CN HR120199 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.1 CC(=O)CO HR130889 [1,0,0,0,0,0|0,0,2]=3 90 B4R0.1 CC(=O)NO HR132350 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.1 CC(=O)OO HR147573 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.1 CC(C)=NO HR135300 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CC(C)NN ENSA06702 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.1 CC(C)NO HR127909 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 CC(C)NO HR128179 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 CC(C)ON HR102359 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 CC(C)[Mg]Br HR118032 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 CC(C)[Mg]Cl HR133071 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 CC(Cl)C#N HR101275 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CC(Cl)CO HR137607 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 CC(Cl)CO HR145870 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CC(Cl)CO HR8287 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 CC(N)CN HR107514 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 CC(N)CN HR114377 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.1 CC(N)CO HR128063 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.1 CC(N)CO RESA03608 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 CC(N)CO VAJB01501 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 CC(O)CBr HR101360 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CC(O)CCl HR135269 [1,0,0,0,0,0|1,0,0]=2 110 B4R0.1 CC(O)CCl HR137859 [1,0,0,0,0,0|1,0,0]=2 111 B4R0.1 CC(O)CN HR124975 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.1 CC(O)CN RESA03408 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.1 CC(O)CO HR123224 [1,0,0,0,0,0|0,0,0]=1 114 B4R0.1 CC(O)CO HR134690 [1,0,0,0,0,0|0,0,0]=1 115 B4R0.1 CC(O)CO HR135390 [1,0,0,0,0,0|0,0,0]=1 116 B4R0.1 CC([NH3+])CO HR127458 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.1 CCB(O)O HR132210 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 CCC(=N)N HR124081 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 CCC(=O)[O-] HR100550 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 CCC(=O)[O-] HR104439 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.1 CCC(=O)[O-] HR133146 [1,0,0,0,0,0|1,0,2]=4 122 B4R0.1 CCC(=O)[O-] HR133686 [1,0,0,0,0,0|1,0,2]=4 123 B4R0.1 CCC(=O)[O-] HR140520 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.1 CCC(=O)[O-] HR145618 [1,0,0,0,0,0|1,0,2]=4 125 B4R0.1 CCC(C)N HR146170 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.1 CCC(C)O HR134477 [1,0,0,0,0,0|0,0,0]=1 127 B4R0.1 CCC(C)O HR138640 [1,0,0,0,0,0|0,0,0]=1 128 B4R0.1 CCC(C)[O-] HR123042 [1,0,0,0,0,0|0,0,1]=2 129 B4R0.1 CCC(N)=O HR135085 [1,0,0,0,0,0|1,0,2]=4 130 B4R0.1 CCC(N)=S HR103772 [1,0,0,0,0,0|1,1,1]=4 131 B4R0.1 CCC(N)N HR113560 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 CCN(C)C HR137292 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.1 CCS(=O)[O-] HR107475 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 CC[N+](=O)[O-] ANSA06411 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 CNC(C)=O HR133410 [1,0,0,0,0,0|1,0,2]=4 136 B4R0.1 CNC(C)C HR108788 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 COC(Cl)Cl HR113915 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.1 CO[SiH](C)C HR100966 [1,0,0,0,0,0|2,1,0]=4 139 B4R0.1 CSC(C)=O HR129778 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.1 CSC(C)C HR129517 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 FC(Br)CBr HR108839 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 FC(F)CBr HR121649 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.1 FC(F)CI HR116342 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.1 N=C(N)CO HR114385 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.1 NCC(=O)O HR123103 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 NCC(=O)O HR134482 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 NCC(F)F HR142199 [1,0,0,0,0,0|3,0,0]=4 148 B4R0.1 O=C(O)CBr HR147062 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 O=C(O)CCl HR147508 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 O=C(O)CO HR128939 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.1 O=C(O)CS HR128237 [1,0,0,0,0,0|1,1,1]=4 152 B4R0.1 O=C([O-])CO HR134522 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.1 O=S([O-])CO HR127617 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 OCC(F)F HR117908 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.1 [Li]C(C)CC HR128023 [1,0,0,0,0,0|1,0,0]=2 156 B4R0.1 [Li]CC(C)C HR106513 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.2 BrCCCBr HR137338 [1,0,0,0,0,0|2,0,0]=3 158 B4R0.2 C#CCCBr HR109941 [1,0,0,0,0,0|1,0,2]=4 159 B4R0.2 C#CCCN HR106426 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.2 C#CCCO HR126889 [1,0,0,0,0,0|0,0,2]=3 161 B4R0.2 C#COCC HR126988 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 C=CCCBr HR124734 [1,0,0,0,0,0|1,0,2]=4 163 B4R0.2 C=CCCN HR116389 [1,0,0,0,0,0|1,0,2]=4 164 B4R0.2 C=CCCO HR127635 [1,0,0,0,0,0|0,0,2]=3 165 B4R0.2 C=CCOC HR111200 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 C=CCSC HR122911 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 C=COCC CESA03009 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 CC#CCBr HR113868 [1,0,0,0,0,0|1,0,2]=4 169 B4R0.2 CC#CCO HR131453 [1,0,0,0,0,0|0,0,2]=3 170 B4R0.2 CCCCN HR105634 [1,0,0,0,0,0|1,0,0]=2 171 B4R0.2 CCCCO HR138784 [1,0,0,0,0,0|0,0,0]=1 172 B4R0.2 CCCC[O-] HR125276 [1,0,0,0,0,0|0,0,1]=2 173 B4R0.2 CCCC[Si] HR100255 [1,0,0,0,0,0|1,0,0]=2 174 B4R0.2 CCCNC HR109098 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.2 CCCSC HR128481 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.2 CCC[Mg]Br HR101998 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.2 CCC[Mg]Cl HR101421 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.2 CCN=C=S HR125225 [1,0,0,0,0,0|1,1,1]=4 179 B4R0.2 CCNC=O HR104364 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 CCNCC HR101857 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.2 CCNCC HR127000 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.2 CCNCC HR132573 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.2 CCOC=N HR105865 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.2 CCPCC HR117135 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.2 CCSCC HR120777 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.2 CCSCC HR127285 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.2 CCSSC HR129263 [1,0,0,0,0,0|3,0,0]=4 188 B4R0.2 CC\C=C\Br HR114361 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.2 CNCCO HR131851 [1,0,0,0,0,0|1,0,0]=2 190 B4R0.2 COCC#N HR117456 [1,0,0,0,0,0|2,0,1]=4 191 B4R0.2 COCCBr HR2138 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.2 COCCCl HR130902 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.2 COCCN HR101134 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.2 CSCC=O HR129243 [1,0,0,0,0,0|1,0,2]=4 195 B4R0.2 CSCCN HR110636 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.2 CSCCO HR125294 [1,0,0,0,0,0|1,0,0]=2 197 B4R0.2 CSCSC HR125290 [1,0,0,0,0,0|3,0,0]=4 198 B4R0.2 C\C=C\CC HR121335 [1,0,0,0,0,0|1,0,2]=4 199 B4R0.2 C\C=C\CC HR121956 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.2 C\C=C\CCl HR130392 [1,0,0,0,0,0|1,0,2]=4 201 B4R0.2 C\C=C\CN HR109640 [1,0,0,0,0,0|1,0,2]=4 202 B4R0.2 FCCCBr HR109590 [1,0,0,0,0,0|2,0,0]=3 203 B4R0.2 ICCCI HR100197 [1,0,0,0,0,0|2,0,0]=3 204 B4R0.2 N#CCCBr HR147344 [1,0,0,0,0,0|2,0,1]=4 205 B4R0.2 N#CCCN HR133669 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 N#CCCO HR132067 [1,0,0,0,0,0|1,0,1]=3 207 B4R0.2 N#CCCS HR113672 [1,0,0,0,0,0|1,1,1]=4 208 B4R0.2 NCCCBr CEJL02001 [1,0,0,0,0,0|2,0,0]=3 209 B4R0.2 NCCCBr HR133137 [1,0,0,0,0,0|2,0,0]=3 210 B4R0.2 NCCCCl HR125166 [1,0,0,0,0,0|2,0,0]=3 211 B4R0.2 NCCCN HR147138 [1,0,0,0,0,0|2,0,0]=3 212 B4R0.2 NCCCO HR117078 [1,0,0,0,0,0|1,0,0]=2 213 B4R0.2 NCCON HR147259 [1,0,0,0,0,0|3,0,0]=4 214 B4R0.2 NNCCO HR125238 [1,0,0,0,0,0|2,0,0]=3 215 B4R0.2 OCCCBr HR133755 [1,0,0,0,0,0|1,0,0]=2 216 B4R0.2 OCCCCl HR147346 [1,0,0,0,0,0|1,0,0]=2 217 B4R0.2 OCCCF HR128996 [1,0,0,0,0,0|1,0,0]=2 218 B4R0.2 OCCCI HR117054 [1,0,0,0,0,0|1,0,0]=2 219 B4R0.2 OCCCO HR129726 [1,0,0,0,0,0|0,0,0]=1 220 B4R0.2 OCCCS HR131625 [1,0,0,0,0,0|0,1,0]=2 221 B4R0.2 SCCCBr HR118175 [1,0,0,0,0,0|1,1,0]=3 222 B4R0.2 SCCCS HR124438 [1,0,0,0,0,0|0,2,0]=3 223 B4R0.2 [Li]CCCC HR138942 [1,0,0,0,0,0|1,0,0]=2 224 B6R0.1 BrCCC(Br)CBr HR130765 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.1 C#C\C(C)=C/CO HR102743 [0,1,0,0,0,0|1,0,2]=4 226 B6R0.1 C#C\C(C)=C/CO HR110020 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.1 C=CC(O)CCC HR128085 [0,1,0,0,0,0|1,0,1]=3 228 B6R0.1 CC(CO)CCO HR114955 [0,1,0,0,0,0|0,0,0]=1 229 B6R0.1 CCC(C)CCO HR120273 [0,1,0,0,0,0|1,0,0]=2 230 B6R0.1 CCCC(=O)SC HR136352 [0,1,0,0,0,0|1,0,2]=4 231 B6R0.1 CCCC(=S)OC HR122832 [0,1,0,0,0,0|1,1,1]=4 232 B6R0.1 CCCC(Br)CBr HR132339 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.1 CCCC(Br)CC HR118696 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.1 CCCC(N)CO HR112281 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.1 CCCC(O)CO HR126914 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.1 CCOC(Br)CBr HR133561 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.1 CCO\C(C)=N/O SIJL01004 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.1 CNCC(O)CO HR129465 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.1 COC(=O)CCBr HR133552 [0,1,0,0,0,0|1,0,2]=4 240 B6R0.1 COC(=O)CCN HR135038 [0,1,0,0,0,0|1,0,2]=4 241 B6R0.1 COC(=O)CCS HR133169 [0,1,0,0,0,0|0,1,2]=4 242 B6R0.1 COC(C)CCO HR100431 [0,1,0,0,0,0|0,0,0]=1 243 B6R0.1 COCC(C)OC HR127461 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.1 COCC(O)CO HR137691 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.1 CSC(C)CC=O HR133413 [0,1,0,0,0,0|0,1,2]=4 246 B6R0.1 N#CCC(O)CCl HR124747 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.1 N#CCC(O)CCl HR125019 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.1 N#CCC(O)CCl HR137517 [0,1,0,0,0,0|1,0,1]=3 249 B6R0.1 N#CCC(O)CO HR123875 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.1 NC(CO)CCO HR104083 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.1 O=C(CCl)NCO HR124394 [0,1,0,0,0,0|1,0,2]=4 252 B6R0.1 OC(CBr)CCBr HR123500 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.1 OC(CCl)CCCl HR131787 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.1 OCCC(O)CO HR115817 [0,1,0,0,0,0|0,0,0]=1 255 B6R0.1 OCCC(O)CO HR123987 [0,1,0,0,0,0|0,0,0]=1 256 B6R0.1 OCCC(O)CO HR130974 [0,1,0,0,0,0|0,0,0]=1 257 B6R0.2 CC(C)CB(O)O HR137992 [0,1,0,0,0,0|2,0,0]=3 258 B6R0.2 CC(C)CC(=O)O HR123359 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.2 CC(C)CC(C)N HR121969 [0,1,0,0,0,0|2,0,0]=3 260 B6R0.2 CC(C)CC(N)=O HR109732 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.2 CC(C)NC(C)C HR112890 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.2 CC(C)NC(C)C HR124493 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.2 CC(C)PC(C)C HR107656 [0,1,0,0,0,0|3,0,0]=4 264 B6R0.2 CC(C)SC(C)C HR122292 [0,1,0,0,0,0|3,0,0]=4 265 B6R0.2 CC(Cl)CN(C)C HR127922 [0,1,0,0,0,0|3,0,0]=4 266 B6R0.2 CC(N)CC(=O)O HR103780 [0,1,0,0,0,0|1,0,1]=3 267 B6R0.2 CC(N)CC(=O)O HR116211 [0,1,0,0,0,0|1,0,1]=3 268 B6R0.2 CC(N)CC(=O)O HR120488 [0,1,0,0,0,0|1,0,1]=3 269 B6R0.2 CC(N)CC(=O)O HR124863 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.2 CC(O)CC(=O)[O-] HR147106 [0,1,0,0,0,0|0,0,2]=3 271 B6R0.2 CN(C)CC(=O)O HR127289 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.2 O=C(O)CC(=O)O DACQ01002 [0,1,0,0,0,0|1,0,2]=4 273 B6R0.2 O=C(O)CC(=O)O HR144418 [0,1,0,0,0,0|1,0,2]=4 274 B6R0.2 OC(=S)CC(F)F HR125326 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.3 CC(C)C(=O)CBr HR144939 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.3 CC(C)C(N)CO HR108489 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.3 CC(C)C(N)CO HR127327 [0,1,0,0,0,0|1,0,0]=2 278 B6R0.3 CC(C)C(N)CO HR146615 [0,1,0,0,0,0|1,0,0]=2 279 B6R0.3 CC(CN)C(=O)O HR133030 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.3 CC(O)C(N)CO HR137748 [0,1,0,0,0,0|0,0,0]=1 281 B6R0.3 CC(O)C(N)CO HR138002 [0,1,0,0,0,0|0,0,0]=1 282 B6R0.3 CCC(=O)C(C)Cl HR114937 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.3 CCC(Br)C(=O)O HR123595 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.3 CCC(C)C(=O)O HR124401 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.3 CCC(C)C(=O)O HR124666 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.3 CCC(Cl)C(=O)O HR104193 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.3 CCC(Cl)C(=O)O HR104505 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.3 CCC(N)B(O)O HR32532 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.3 CCC(N)B(O)O HR32533 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.3 CCC(N)C(=O)O HR100731 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.3 CCC(N)C(=O)O HR128531 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.3 CCC(N)C(=O)O HR128797 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.3 CCC(N)C(=O)O HR130831 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.3 CCC(N)C(=O)O VOJL00901 [0,1,0,0,0,0|2,0,1]=4 295 B6R0.3 CCC(O)C(=O)O HR145745 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.3 CCC(O)C(=O)O HR8265 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.3 CCC(S)C(C)=O HR124234 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.3 COC(=O)C(C)O HR133668 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.3 COC(=O)C(C)O HR6056 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.3 NC(=O)C(N)CO HR115072 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.3 NC(CO)C(=O)O HR10704 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.3 NC(CO)C(=O)O HR11003 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.3 NC(CO)C(=O)O HR136009 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.3 NC(CS)C(=O)O HR125082 [0,1,0,0,0,0|1,1,1]=4 305 B6R0.3 NC(CS)C(=O)O HR125295 [0,1,0,0,0,0|1,1,1]=4 306 B6R0.3 NC(CS)C(=O)O HR125344 [0,1,0,0,0,0|1,1,1]=4 307 B6R0.3 NC(CS)C(=O)O HR129167 [0,1,0,0,0,0|1,1,1]=4 308 B6R0.3 NC(CS)C(=O)O HR129315 [0,1,0,0,0,0|1,1,1]=4 309 B6R0.3 NC(CS)C(=O)O HR129684 [0,1,0,0,0,0|1,1,1]=4 310 B6R0.3 NC(CS)C(=O)O HR135781 [0,1,0,0,0,0|1,1,1]=4 311 B6R0.3 NC(CS)C(=O)O HR136316 [0,1,0,0,0,0|1,1,1]=4 312 B6R0.3 NC(C[SeH])C(=O)O HR101211 [0,1,0,0,0,0|1,1,1]=4 313 B6R0.3 NCC(N)C(=O)O HR101827 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.3 NCC(N)C(=O)O HR120379 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.3 NCC(N)C(=O)O HR130162 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.3 NCC(N)C(=O)O HR137268 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.3 NCC(O)C(=O)O HR126827 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.3 NCC(O)C(=O)O HR145757 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.3 NCC(O)C(=O)O HR145758 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.3 O=C(O)C(Br)CBr HR128067 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.3 O=C(O)C(Br)CO HR121810 [0,1,0,0,0,0|1,0,1]=3 322 B6R0.3 O=C(O)C(Cl)CCl HR102337 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.4 C#CCCC(=O)O HR101408 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.4 C=C(C)CNCC HR128262 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.4 C=CCCC(=O)O HR128583 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.4 CC(=O)CCCBr HR147487 [0,1,0,0,0,0|1,0,2]=4 327 B6R0.4 CC(=O)CCCCl HR100024 [0,1,0,0,0,0|1,0,2]=4 328 B6R0.4 CC(=O)CCCO HR136959 [0,1,0,0,0,0|0,0,2]=3 329 B6R0.4 CC(=O)NCCN HR128075 [0,1,0,0,0,0|1,0,2]=4 330 B6R0.4 CC(=O)NCCO HR100613 [0,1,0,0,0,0|0,0,2]=3 331 B6R0.4 CC(=O)OCCBr HR131354 [0,1,0,0,0,0|1,0,2]=4 332 B6R0.4 CC(Br)CCCBr HR123815 [0,1,0,0,0,0|2,0,0]=3 333 B6R0.4 CC(C)CCC=O HR118427 [0,1,0,0,0,0|1,0,1]=3 334 B6R0.4 CC(C)CCCBr HR133659 [0,1,0,0,0,0|2,0,0]=3 335 B6R0.4 CC(C)NCCN HR8612 [0,1,0,0,0,0|2,0,0]=3 336 B6R0.4 CC(C)NCCO HR143524 [0,1,0,0,0,0|1,0,0]=2 337 B6R0.4 CC(O)CCCO HR139458 [0,1,0,0,0,0|0,0,0]=1 338 B6R0.4 CCC#CC(C)O HR138958 [0,1,0,0,0,0|1,0,1]=3 339 B6R0.4 CCCCB(O)O HR137738 [0,1,0,0,0,0|3,0,0]=4 340 B6R0.4 CCCCC(C)N HR107080 [0,1,0,0,0,0|2,0,0]=3 341 B6R0.4 CCCCC(C)O HR113264 [0,1,0,0,0,0|1,0,0]=2 342 B6R0.4 CCCCC(C)O HR141634 [0,1,0,0,0,0|1,0,0]=2 343 B6R0.4 CCCCN(C)C HR124181 [0,1,0,0,0,0|3,0,0]=4 344 B6R0.4 CCCC[Sn](=O)O HR135371 [0,1,0,0,0,0|3,0,0]=4 345 B6R0.4 CCCSC(C)=O HR137881 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.4 CCNCC(=O)O HR105131 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.4 CCOCC(=O)O HR123178 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.4 CN(C)CCCBr HR107607 [0,1,0,0,0,0|3,0,0]=4 349 B6R0.4 CN(C)CCCBr HR147342 [0,1,0,0,0,0|3,0,0]=4 350 B6R0.4 CN(C)CCCCl HR109407 [0,1,0,0,0,0|3,0,0]=4 351 B6R0.4 CN(C)CCCCl HR137097 [0,1,0,0,0,0|3,0,0]=4 352 B6R0.4 CN(C)CCCS HR107362 [0,1,0,0,0,0|2,1,0]=4 353 B6R0.4 CNCCC(=O)O HR100194 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.4 COCCC(C)O HR129774 [0,1,0,0,0,0|0,0,0]=1 355 B6R0.4 COCCC(O)Br HR10478 [0,1,0,0,0,0|1,0,0]=2 356 B6R0.4 CSCCC(C)=O HR133952 [0,1,0,0,0,0|0,1,2]=4 357 B6R0.4 N#CCCC(=O)O HR103469 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.4 NCCCC(=O)O HR130958 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.4 O=C(O)C#CCO HR112666 [0,1,0,0,0,0|1,0,2]=4 360 B6R0.4 O=C(O)CCCBr HR131673 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.4 O=C(O)CCCCl HR120152 [0,1,0,0,0,0|2,0,1]=4 362 B6R0.4 O=CCCC(=O)O HR134907 [0,1,0,0,0,0|1,0,2]=4 363 B6R0.5 CC(C)(C)CC=O HR3076 [0,1,0,0,0,0|1,0,2]=4 364 B6R0.5 CC(C)(C)CCBr HR131505 [0,1,0,0,0,0|2,0,0]=3 365 B6R0.5 CC(C)(C)CCCl HR127490 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.5 CC(C)(C)CCO HR137816 [0,1,0,0,0,0|1,0,0]=2 367 B6R0.5 CC(C)(C)C[Mg]Cl HR101073 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.5 CC(C)(N)CCO HR142292 [0,1,0,0,0,0|1,0,0]=2 369 B6R0.5 CC(C)(S)CCO HR125918 [0,1,0,0,0,0|0,1,0]=2 370 B6R0.5 CCCS(=O)(=O)O HR120663 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.5 CCC[Si](C)(C)Cl HR107165 [0,1,0,0,0,0|2,1,0]=4 372 B6R0.5 CCNC(C)(C)C HR119788 [0,1,0,0,0,0|3,0,0]=4 373 B6R0.5 CCOC(C)(C)C HR135207 [0,1,0,0,0,0|3,0,0]=4 374 B6R0.5 CS(=O)(=O)CCN HR129630 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.5 CS(=O)(=O)CCN HR129894 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.5 CS(=O)(=O)CCO HR132598 [0,1,0,0,0,0|1,0,1]=3 377 B6R0.5 C[N+](C)(C)CCBr HR132554 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.5 C[N+](C)(C)CCCl HR125998 [0,1,0,0,0,0|3,0,0]=4 379 B6R0.5 C[N+](C)(C)CCCl HR141933 [0,1,0,0,0,0|3,0,0]=4 380 B6R0.5 C[N+](C)(C)CCO HR113358 [0,1,0,0,0,0|2,0,0]=3 381 B6R0.5 C[N+](C)(C)CCO HR125263 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.5 C[N+](C)(C)CCO HR140708 [0,1,0,0,0,0|2,0,0]=3 383 B6R0.5 C[Si](C)(C)CCBr HR111656 [0,1,0,0,0,0|2,1,0]=4 384 B6R0.5 C[Si](C)(C)CCO HR2617 [0,1,0,0,0,0|1,1,0]=3 385 B6R0.5 C[Si](C)(C)CCS HR141347 [0,1,0,0,0,0|1,2,0]=4 386 B6R0.5 ClCCC(Cl)(Cl)Cl HR111115 [0,1,0,0,0,0|3,0,0]=4 387 B6R0.5 FC(F)(F)CCBr HR124569 [0,1,0,0,0,0|3,0,0]=4 388 B6R0.5 FC(F)(F)CCCl HR134918 [0,1,0,0,0,0|3,0,0]=4 389 B6R0.5 FC(F)(F)CCI HR106113 [0,1,0,0,0,0|3,0,0]=4 390 B6R0.5 FC(F)(F)CCI HR127575 [0,1,0,0,0,0|3,0,0]=4 391 B6R0.5 FC(F)(F)CCI HR150211 [0,1,0,0,0,0|3,0,0]=4 392 B6R0.5 NCCC(F)(F)F HR146536 [0,1,0,0,0,0|3,0,0]=4 393 B6R0.5 NCCC(F)(F)F HR150210 [0,1,0,0,0,0|3,0,0]=4 394 B6R0.5 NCCS(=O)(=O)O HR103110 [0,1,0,0,0,0|3,0,0]=4 395 B6R0.5 NCCS(=O)(=O)O HR135062 [0,1,0,0,0,0|3,0,0]=4 396 B6R0.5 O=P(O)(O)CCCl HR126263 [0,1,0,0,0,0|3,0,0]=4 397 B6R0.5 O=S(=O)(O)CCBr HR131005 [0,1,0,0,0,0|3,0,0]=4 398 B6R0.5 O=S(=O)(O)CCO HR135585 [0,1,0,0,0,0|2,0,0]=3 399 B6R0.5 O=S(=O)([O-])CCO HR130594 [0,1,0,0,0,0|2,0,1]=4 400 B6R0.5 O=S(=O)([O-])CCO HR135328 [0,1,0,0,0,0|2,0,1]=4 401 B6R0.5 OCCC(F)(F)F HR100125 [0,1,0,0,0,0|2,0,0]=3 402 B6R0.5 OCCC(F)(F)F HR109195 [0,1,0,0,0,0|2,0,0]=3 403 B6R0.5 OCCC(F)(F)F HR142103 [0,1,0,0,0,0|2,0,0]=3 404 B6R1.2 BrC1CCCC1 HR146931 [0,0,0,1,0,0|2,0,0]=3 405 B6R1.2 BrC1CCOC1 HR32206 [0,0,0,1,0,0|1,0,0]=2 406 B6R1.2 CC1=NCCC1 HR128050 [0,0,0,1,0,0|2,0,1]=4 407 B6R1.2 CC1CCCN1 HR11117 [0,0,0,1,0,0|2,0,0]=3 408 B6R1.2 CC1CCCN1 HR136768 [0,0,0,1,0,0|2,0,0]=3 409 B6R1.2 CC1CCCN1 HR137719 [0,0,0,1,0,0|2,0,0]=3 410 B6R1.2 CC1CCCN1 HR137972 [0,0,0,1,0,0|2,0,0]=3 411 B6R1.2 CC1CCCN1 HR138237 [0,0,0,1,0,0|2,0,0]=3 412 B6R1.2 CC1CCCO1 HR10841 [0,0,0,1,0,0|1,0,0]=2 413 B6R1.2 CC1CCNC1 HR117788 [0,0,0,1,0,0|2,0,0]=3 414 B6R1.2 CC1CCNC1 HR121513 [0,0,0,1,0,0|2,0,0]=3 415 B6R1.2 CC1CCNC1 HR142801 [0,0,0,1,0,0|2,0,0]=3 416 B6R1.2 CC1CCNC1 HR142900 [0,0,0,1,0,0|2,0,0]=3 417 B6R1.2 CC1CCNC1 HR143674 [0,0,0,1,0,0|2,0,0]=3 418 B6R1.2 CC1CCOC1 HR144126 [0,0,0,1,0,0|1,0,0]=2 419 B6R1.2 CC1CCSC1 HR124140 [0,0,0,1,0,0|1,1,0]=3 420 B6R1.2 CC1COCO1 HR124771 [0,0,0,1,0,0|2,0,0]=3 421 B6R1.2 CN1CCCC1 HR130486 [0,0,0,1,0,0|3,0,0]=4 422 B6R1.2 ClC1CCCC1 HR100908 [0,0,0,1,0,0|2,0,0]=3 423 B6R1.2 ClC1CCOC1 HR146389 [0,0,0,1,0,0|1,0,0]=2 424 B6R1.2 FC1CCNC1 HR108608 [0,0,0,1,0,0|2,0,0]=3 425 B6R1.2 FC1CCNC1 HR111906 [0,0,0,1,0,0|2,0,0]=3 426 B6R1.2 FC1CCNC1 HR113706 [0,0,0,1,0,0|2,0,0]=3 427 B6R1.2 FC1CCNC1 HR148267 [0,0,0,1,0,0|2,0,0]=3 428 B6R1.2 IC1CCOC1 HR121544 [0,0,0,1,0,0|1,0,0]=2 429 B6R1.2 NC1CC=CC1 HR106458 [0,0,0,1,0,0|2,0,1]=4 430 B6R1.2 NC1CCCC1 TRXM00901 [0,0,0,1,0,0|2,0,0]=3 431 B6R1.2 NC1CCNC1 HR122368 [0,0,0,1,0,0|2,0,0]=3 432 B6R1.2 NC1CCNC1 HR122634 [0,0,0,1,0,0|2,0,0]=3 433 B6R1.2 NC1CCNC1 HR123574 [0,0,0,1,0,0|2,0,0]=3 434 B6R1.2 NC1CCNC1 HR123838 [0,0,0,1,0,0|2,0,0]=3 435 B6R1.2 NC1CCNC1 HR136682 [0,0,0,1,0,0|2,0,0]=3 436 B6R1.2 NC1CCNC1 HR136939 [0,0,0,1,0,0|2,0,0]=3 437 B6R1.2 NC1CCOC1 HR110868 [0,0,0,1,0,0|1,0,0]=2 438 B6R1.2 NC1CCOC1 HR119912 [0,0,0,1,0,0|1,0,0]=2 439 B6R1.2 NC1CCOC1 HR145986 [0,0,0,1,0,0|1,0,0]=2 440 B6R1.2 NC1CCOC1 HR15126 [0,0,0,1,0,0|1,0,0]=2 441 B6R1.2 NC1CCOC1 HR15496 [0,0,0,1,0,0|1,0,0]=2 442 B6R1.2 NC1CCOC1 HR33445 [0,0,0,1,0,0|1,0,0]=2 443 B6R1.2 NC1CCOC1 HR33446 [0,0,0,1,0,0|1,0,0]=2 444 B6R1.2 NN1CCCC1 HR127037 [0,0,0,1,0,0|3,0,0]=4 445 B6R1.2 NN1CCCC1 HR4032 [0,0,0,1,0,0|3,0,0]=4 446 B6R1.2 O=C1CCCC1 HR147576 [0,0,0,1,0,0|1,0,2]=4 447 B6R1.2 O=C1CCNC1 HR126926 [0,0,0,1,0,0|1,0,2]=4 448 B6R1.2 O=C1CCNC1 HR127189 [0,0,0,1,0,0|1,0,2]=4 449 B6R1.2 O=C1CCOC1 HR109194 [0,0,0,1,0,0|0,0,2]=3 450 B6R1.2 O=C1CCSC1 HR5575 [0,0,0,1,0,0|0,1,2]=4 451 B6R1.2 OC1CC=CC1 HR30107 [0,0,0,1,0,0|1,0,1]=3 452 B6R1.2 OC1CCNC1 HR122348 [0,0,0,1,0,0|1,0,0]=2 453 B6R1.2 OC1CCNC1 HR128986 [0,0,0,1,0,0|1,0,0]=2 454 B6R1.2 OC1CCNC1 HR135087 [0,0,0,1,0,0|1,0,0]=2 455 B6R1.2 OC1CCNC1 HR137212 [0,0,0,1,0,0|1,0,0]=2 456 B6R1.2 OC1CCNC1 HR137477 [0,0,0,1,0,0|1,0,0]=2 457 B6R1.2 OC1CCNC1 HR138968 [0,0,0,1,0,0|1,0,0]=2 458 B6R1.2 OC1CCOC1 HR133245 [0,0,0,1,0,0|0,0,0]=1 459 B6R1.2 OC1CCOC1 HR137216 [0,0,0,1,0,0|0,0,0]=1 460 B6R1.2 OC1CCOC1 HR16209 [0,0,0,1,0,0|0,0,0]=1 461 B6R1.2 OC1CCOC1 HR7071 [0,0,0,1,0,0|0,0,0]=1 462 B6R1.2 OC1CCSC1 HR122102 [0,0,0,1,0,0|0,1,0]=2 463 B6R1.2 SC1CCCC1 HR134369 [0,0,0,1,0,0|1,1,0]=3 464 B6R1.3 BrCCC1CO1 HR120624 [0,0,0,1,0,0|1,0,0]=2 465 B6R1.3 CCCC1CO1 HR102110 [0,0,0,1,0,0|1,0,0]=2 466 B6R1.3 COCC1CO1 HR136178 [0,0,0,1,0,0|2,0,0]=3 467 B6R1.3 COCC1CO1 HR5856 [0,0,0,1,0,0|2,0,0]=3 468 B6R1.3 N#CCC1CC1 HR136488 [0,0,0,1,0,0|2,0,1]=4 469 B6R1.3 NOCC1CC1 HR137251 [0,0,0,1,0,0|3,0,0]=4 470 B6R1.3 O=CCC1CC1 HR139135 [0,0,0,1,0,0|1,0,2]=4 471 B6R1.3 OCCC1CC1 HR144840 [0,0,0,1,0,0|1,0,0]=2 472 B6R1.5 CC1CC(=O)C1 HR121137 [0,0,0,1,0,0|1,0,2]=4 473 B6R1.5 CC1CC(N)C1 HR108536 [0,0,0,1,0,0|2,0,0]=3 474 B6R1.5 NC1CC(=O)C1 HR145979 [0,0,0,1,0,0|1,0,2]=4 475 B6R1.5 NC1CC(N)C1 HR107909 [0,0,0,1,0,0|2,0,0]=3 476 B6R1.5 O=C1CC(Br)C1 HR120509 [0,0,0,1,0,0|1,0,2]=4 477 B6R1.5 O=C1CC(O)C1 HR119245 [0,0,0,1,0,0|0,0,2]=3 478 B6R1.10 CC1(C)COC1 HR102392 [0,0,0,1,0,0|3,0,0]=4 479 B6R1.10 CC1(N)COC1 HR120021 [0,0,0,1,0,0|3,0,0]=4 480 B6R1.11 C=C(C)C1CO1 HR139225 [0,0,0,1,0,0|1,0,1]=3 481 B6R1.11 CC(=O)C1CC1 HR134464 [0,0,0,1,0,0|1,0,2]=4 482 B6R1.11 CC(C)C1CO1 HR145858 [0,0,0,1,0,0|1,0,0]=2 483 B6R1.11 CC(C)C1CO1 HR145875 [0,0,0,1,0,0|1,0,0]=2 484 B6R1.11 CC(C)C1CO1 HR145876 [0,0,0,1,0,0|1,0,0]=2 485 B6R1.11 CC(N)C1CC1 HR146098 [0,0,0,1,0,0|2,0,0]=3 486 B6R1.11 CC(O)C1CC1 HR101733 [0,0,0,1,0,0|1,0,0]=2 487 B6R1.11 O=C(O)C1CC1 HR133116 [0,0,0,1,0,0|2,0,1]=4 488 B6R1.11 OB(O)C1CC1 HR4014 [0,0,0,1,0,0|3,0,0]=4 489 B3R0.1 BrCCBr TAJB01903 [2,0,0,0,0,0|2,0,0]=4 490 B3R0.1 C#CCO ALJL02901 [2,0,0,0,0,0|0,0,2]=4 491 B3R0.1 CCC=O HR147700 [2,0,0,0,0,0|0,0,2]=4 492 B3R0.1 CCCN HR147701 [2,0,0,0,0,0|1,0,0]=3 493 B3R0.1 CCNC HR124522 [2,0,0,0,0,0|1,0,0]=3 494 B3R0.1 CCNC HR137767 [2,0,0,0,0,0|1,0,0]=3 495 B3R0.1 CCNO HR134189 [2,0,0,0,0,0|1,0,0]=3 496 B3R0.1 CCON HR132609 [2,0,0,0,0,0|2,0,0]=4 497 B3R0.1 CCSC HR132879 [2,0,0,0,0,0|1,0,0]=3 498 B3R0.1 CC[Mg]Br HR122779 [2,0,0,0,0,0|2,0,0]=4 499 B3R0.1 CC[Mg]Cl HR134689 [2,0,0,0,0,0|2,0,0]=4 500 B3R0.1 CNOC ANSA06428 [2,0,0,0,0,0|2,0,0]=4 501 B3R0.1 CNOC SACQ02002 [2,0,0,0,0,0|2,0,0]=4 502 B3R0.1 COCBr HR105342 [2,0,0,0,0,0|2,0,0]=4 503 B3R0.1 C[Se][Se]C HR124157 [2,0,0,0,0,0|2,0,0]=4 504 B3R0.1 C\C=C\C HR122646 [2,0,0,0,0,0|0,0,2]=4 505 B3R0.1 C\C=C\C HR122910 [2,0,0,0,0,0|0,0,2]=4 506 B3R0.1 ClCCBr TECQ03712 [2,0,0,0,0,0|2,0,0]=4 507 B3R0.1 FCCBr HR133346 [2,0,0,0,0,0|2,0,0]=4 508 B3R0.1 FCCF HR120230 [2,0,0,0,0,0|2,0,0]=4 509 B3R0.1 FCCI HR101380 [2,0,0,0,0,0|2,0,0]=4 510 B3R0.1 ICCI HR124648 [2,0,0,0,0,0|2,0,0]=4 511 B3R0.1 NCCBr HR127529 [2,0,0,0,0,0|2,0,0]=4 512 B3R0.1 NCCCl HR133621 [2,0,0,0,0,0|2,0,0]=4 513 B3R0.1 NCCF HR147282 [2,0,0,0,0,0|2,0,0]=4 514 B3R0.1 NCCN COCQ01602 [2,0,0,0,0,0|2,0,0]=4 515 B3R0.1 NCCN HR101834 [2,0,0,0,0,0|2,0,0]=4 516 B3R0.1 NCCN HR104862 [2,0,0,0,0,0|2,0,0]=4 517 B3R0.1 NCCN HR122122 [2,0,0,0,0,0|2,0,0]=4 518 B3R0.1 NCCO HR107047 [2,0,0,0,0,0|1,0,0]=3 519 B3R0.1 NCCS HR135517 [2,0,0,0,0,0|1,1,0]=4 520 B3R0.1 NCC[NH3+] HR126181 [2,0,0,0,0,0|2,0,0]=4 521 B3R0.1 OCCBr HR30161 [2,0,0,0,0,0|1,0,0]=3 522 B3R0.1 OCCF HR134480 [2,0,0,0,0,0|1,0,0]=3 523 B3R0.1 OCCI HR133619 [2,0,0,0,0,0|1,0,0]=3 524 B3R0.1 OCCO HR137128 [2,0,0,0,0,0|0,0,0]=2 525 B3R0.1 OCCS APSA07216 [2,0,0,0,0,0|0,1,0]=3 526 B3R0.1 SCCS HR136011 [2,0,0,0,0,0|0,2,0]=4 527 B3R0.1 [1*]CC[2*] HR123146 [2,0,0,0,0,0|2,0,0]=4 528 B3R0.1 [1*]CC[2*] HR124954 [2,0,0,0,0,0|2,0,0]=4 529 B3R0.2 BN(C)C HR122788 [2,0,0,0,0,0|2,0,0]=4 530 B3R0.2 C=[N+](C)C HR101548 [2,0,0,0,0,0|2,0,0]=4 531 B3R0.2 CB(O)O HR125352 [2,0,0,0,0,0|1,0,0]=3 532 B3R0.2 CC(=O)O HR101021 [2,0,0,0,0,0|0,0,2]=4 533 B3R0.2 CC(=O)O HR106009 [2,0,0,0,0,0|0,0,2]=4 534 B3R0.2 CC(=O)O HR144874 [2,0,0,0,0,0|0,0,2]=4 535 B3R0.2 CC(C)=O AUSA03806 [2,0,0,0,0,0|0,0,2]=4 536 B3R0.2 CC(C)I HR147635 [2,0,0,0,0,0|1,0,0]=3 537 B3R0.2 CC(C)N ABSA04801 [2,0,0,0,0,0|1,0,0]=3 538 B3R0.2 CC(C)[O-] HR101911 [2,0,0,0,0,0|0,0,1]=3 539 B3R0.2 CC(C)[O-] HR111090 [2,0,0,0,0,0|0,0,1]=3 540 B3R0.2 CC(C)[O-] HR123310 [2,0,0,0,0,0|0,0,1]=3 541 B3R0.2 CC(C)[O-] HR133912 [2,0,0,0,0,0|0,0,1]=3 542 B3R0.2 CC(C)[O-] HR136894 [2,0,0,0,0,0|0,0,1]=3 543 B3R0.2 CC(C)[O-] HR142627 [2,0,0,0,0,0|0,0,1]=3 544 B3R0.2 CC(C)[O-] HR147734 [2,0,0,0,0,0|0,0,1]=3 545 B3R0.2 CN(C)C HR101063 [2,0,0,0,0,0|2,0,0]=4 546 B3R0.2 CP(C)C HR109039 [2,0,0,0,0,0|2,0,0]=4 547 B3R0.2 CP(C)Cl HR114923 [2,0,0,0,0,0|2,0,0]=4 548 B3R0.2 CS(=O)O HR102459 [2,0,0,0,0,0|1,0,1]=4 549 B3R0.2 CS(C)=O HR127060 [2,0,0,0,0,0|1,0,1]=4 550 B3R0.2 C[AlH3](C)C HR147740 [2,0,0,0,0,0|2,0,0]=4 551 B3R0.2 C[Ga](C)C HR135051 [2,0,0,0,0,0|2,0,0]=4 552 B3R0.2 C[In](C)C HR135575 [2,0,0,0,0,0|2,0,0]=4 553 B3R0.2 C[P+](C)=O HR103883 [2,0,0,0,0,0|1,0,1]=4 554 B3R0.2 C[S+](C)C HR129979 [2,0,0,0,0,0|2,0,0]=4 555 B3R0.2 C[S+](C)C HR135958 [2,0,0,0,0,0|2,0,0]=4 556 B3R0.2 C[Sb](C)C HR136634 [2,0,0,0,0,0|2,0,0]=4 557 B3R0.2 C[SiH](C)C HR100161 [2,0,0,0,0,0|1,1,0]=4 558 B3R0.2 C[SiH](C)Cl HR133238 [2,0,0,0,0,0|1,1,0]=4 559 B3R0.2 C[Sn](C)=O HR100537 [2,0,0,0,0,0|1,0,1]=4 560 B3R0.2 O=C(O)O HR100793 [2,0,0,0,0,0|1,0,1]=4 561 B3R0.2 O=S(O)O HR100386 [2,0,0,0,0,0|2,0,0]=4 562 B3R0.2 O=S(O)O HR101764 [2,0,0,0,0,0|2,0,0]=4 563 B3R0.2 O=[Si](O)O HR136637 [2,0,0,0,0,0|1,1,0]=4 564 B3R0.2 O=[Sn](O)O HR126016 [2,0,0,0,0,0|2,0,0]=4 565 B3R0.2 OB(O)O HR134530 [2,0,0,0,0,0|2,0,0]=4 566 B3R0.2 O[AlH3](O)Cl HR145243 [2,0,0,0,0,0|2,0,0]=4 567 B3R0.2 O[Cr](O)O HR101718 [2,0,0,0,0,0|2,0,0]=4 568 B3R0.2 [Li]C(C)C HR113525 [2,0,0,0,0,0|1,0,0]=3 569 B3R0.2 [O-]P(O)O HR124026 [2,0,0,0,0,0|2,0,0]=4 570 B5R0.3 BrCC(Br)CBr HR135471 [1,1,0,0,0,0|2,0,0]=4 571 B5R0.3 C#CC(O)CC HR141891 [1,1,0,0,0,0|0,0,1]=3 572 B5R0.3 C=C(CO)CO HR129279 [1,1,0,0,0,0|0,0,2]=4 573 B5R0.3 C=CC(N)CO HR146014 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.3 C=CC(O)CC HR132478 [1,1,0,0,0,0|0,0,1]=3 575 B5R0.3 C=CC(O)CN HR146126 [1,1,0,0,0,0|0,0,2]=4 576 B5R0.3 C=CC(O)CN HR146127 [1,1,0,0,0,0|0,0,2]=4 577 B5R0.3 C=CC(O)CN HR146128 [1,1,0,0,0,0|0,0,2]=4 578 B5R0.3 C=CC(O)CO HR120607 [1,1,0,0,0,0|0,0,1]=3 579 B5R0.3 CC(CCl)CBr HR113187 [1,1,0,0,0,0|2,0,0]=4 580 B5R0.3 CC(CN)CN HR111998 [1,1,0,0,0,0|2,0,0]=4 581 B5R0.3 CC(CN)CO HR105025 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.3 CC(CO)CO HR120700 [1,1,0,0,0,0|0,0,0]=2 583 B5R0.3 CCC(=N)NO HR117947 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.3 CCC(=O)CBr HR101618 [1,1,0,0,0,0|0,0,2]=4 585 B5R0.3 CCC(=O)NC HR138361 [1,1,0,0,0,0|0,0,2]=4 586 B5R0.3 CCC(=S)OC HR134757 [1,1,0,0,0,0|0,1,1]=4 587 B5R0.3 CCC(Br)CBr HR126943 [1,1,0,0,0,0|1,0,0]=3 588 B5R0.3 CCC(Br)CC HR126412 [1,1,0,0,0,0|1,0,0]=3 589 B5R0.3 CCC(C)C=O HR108130 [1,1,0,0,0,0|0,0,1]=3 590 B5R0.3 CCC(C)CBr HR126522 [1,1,0,0,0,0|1,0,0]=3 591 B5R0.3 CCC(C)CCl HR111310 [1,1,0,0,0,0|1,0,0]=3 592 B5R0.3 CCC(C)CCl HR129974 [1,1,0,0,0,0|1,0,0]=3 593 B5R0.3 CCC(C)CO HR133183 [1,1,0,0,0,0|0,0,0]=2 594 B5R0.3 CCC(C)[Mg]Br HR106081 [1,1,0,0,0,0|1,0,0]=3 595 B5R0.3 CCC(C)[Mg]Cl HR112582 [1,1,0,0,0,0|1,0,0]=3 596 B5R0.3 CCC(N)CC HR124629 [1,1,0,0,0,0|1,0,0]=3 597 B5R0.3 CCC(N)CO AUSA03801 [1,1,0,0,0,0|1,0,0]=3 598 B5R0.3 CCC(N)CO HR129875 [1,1,0,0,0,0|1,0,0]=3 599 B5R0.3 CCC(N)CO HR145232 [1,1,0,0,0,0|1,0,0]=3 600 B5R0.3 CCC(O)CC HR127807 [1,1,0,0,0,0|0,0,0]=2 601 B5R0.3 CCC(O)CN HR103501 [1,1,0,0,0,0|0,0,0]=2 602 B5R0.3 CCC(O)CO HR101364 [1,1,0,0,0,0|0,0,0]=2 603 B5R0.3 CCC(O)CO HR108310 [1,1,0,0,0,0|0,0,0]=2 604 B5R0.3 CCC(O)CO HR112215 [1,1,0,0,0,0|0,0,0]=2 605 B5R0.3 CCC(S)CC HR120847 [1,1,0,0,0,0|0,1,0]=3 606 B5R0.3 CCC(S)CS HR131558 [1,1,0,0,0,0|0,1,0]=3 607 B5R0.3 CCN(C)CC HR114271 [1,1,0,0,0,0|2,0,0]=4 608 B5R0.3 CCN(O)CC HR136115 [1,1,0,0,0,0|1,0,0]=3 609 B5R0.3 CCS(=O)CC HR101279 [1,1,0,0,0,0|1,0,1]=4 610 B5R0.3 CC[AlH3](I)CC HR145180 [1,1,0,0,0,0|2,0,0]=4 611 B5R0.3 COC(=O)CO HR136159 [1,1,0,0,0,0|0,0,2]=4 612 B5R0.3 COC(C)CN HR145932 [1,1,0,0,0,0|1,0,0]=3 613 B5R0.3 COC(C)CN HR145933 [1,1,0,0,0,0|1,0,0]=3 614 B5R0.3 COC(C)CN HR145964 [1,1,0,0,0,0|1,0,0]=3 615 B5R0.3 COC(C)CN HR146148 [1,1,0,0,0,0|1,0,0]=3 616 B5R0.3 COC(C)CO HR101756 [1,1,0,0,0,0|0,0,0]=2 617 B5R0.3 CS\C(C)=N\O HR131867 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.3 ClCC(Br)CBr HR101312 [1,1,0,0,0,0|2,0,0]=4 619 B5R0.3 NC(CO)CO HR136419 [1,1,0,0,0,0|1,0,0]=3 620 B5R0.3 NC(CO)CO HR136933 [1,1,0,0,0,0|1,0,0]=3 621 B5R0.3 NCC(O)CCl HR33275 [1,1,0,0,0,0|1,0,0]=3 622 B5R0.3 NCC(O)CF HR151139 [1,1,0,0,0,0|1,0,0]=3 623 B5R0.3 NCC(O)CN HR135716 [1,1,0,0,0,0|1,0,0]=3 624 B5R0.3 NCC(O)CO HR133362 [1,1,0,0,0,0|0,0,0]=2 625 B5R0.3 NCC(O)CO HR135112 [1,1,0,0,0,0|0,0,0]=2 626 B5R0.3 NCC(O)CO HR5712 [1,1,0,0,0,0|0,0,0]=2 627 B5R0.3 O=C(CO)CO HR136414 [1,1,0,0,0,0|0,0,2]=4 628 B5R0.3 O=CC(O)CO HR110417 [1,1,0,0,0,0|0,0,1]=3 629 B5R0.3 O=CC(O)CO HR6339 [1,1,0,0,0,0|0,0,1]=3 630 B5R0.3 OC(CBr)CBr HR133135 [1,1,0,0,0,0|1,0,0]=3 631 B5R0.3 OC(CI)CI HR109103 [1,1,0,0,0,0|1,0,0]=3 632 B5R0.3 OCC(Br)CBr HR127514 [1,1,0,0,0,0|1,0,0]=3 633 B5R0.3 OCC(Cl)CCl HR123630 [1,1,0,0,0,0|1,0,0]=3 634 B5R0.3 OCC(O)CCl HR147009 [1,1,0,0,0,0|0,0,0]=2 635 B5R0.3 OCC(O)CCl HR34181 [1,1,0,0,0,0|0,0,0]=2 636 B5R0.3 OCC(O)CCl HR5741 [1,1,0,0,0,0|0,0,0]=2 637 B5R0.3 OCC(O)CF HR116790 [1,1,0,0,0,0|0,0,0]=2 638 B5R0.3 OCC(O)CO HR101833 [1,1,0,0,0,0|0,0,0]=2 639 B5R0.3 OCC(O)CS HR138736 [1,1,0,0,0,0|0,0,0]=2 640 B5R0.3 OCC(S)CS HR126983 [1,1,0,0,0,0|0,1,0]=3 641 B5R0.4 C#CC(C)(C)O HR147295 [1,1,0,0,0,0|0,0,2]=4 642 B5R0.4 C=CC(C)(C)O HR139173 [1,1,0,0,0,0|0,0,2]=4 643 B5R0.4 CC(C)(Br)CBr HR100735 [1,1,0,0,0,0|2,0,0]=4 644 B5R0.4 CC(C)(C)CBr HR105387 [1,1,0,0,0,0|2,0,0]=4 645 B5R0.4 CC(C)(C)CCl HR139178 [1,1,0,0,0,0|2,0,0]=4 646 B5R0.4 CC(C)(C)CN HR107357 [1,1,0,0,0,0|2,0,0]=4 647 B5R0.4 CC(C)(C)CO HR134947 [1,1,0,0,0,0|1,0,0]=3 648 B5R0.4 CC(C)(C)NO HR111804 [1,1,0,0,0,0|2,0,0]=4 649 B5R0.4 CC(C)(Cl)CCl HR100132 [1,1,0,0,0,0|2,0,0]=4 650 B5R0.4 CC(C)(F)CO HR116025 [1,1,0,0,0,0|1,0,0]=3 651 B5R0.4 CC(C)(N)CN HR33168 [1,1,0,0,0,0|2,0,0]=4 652 B5R0.4 CC(C)(N)CO HR101551 [1,1,0,0,0,0|1,0,0]=3 653 B5R0.4 CC(C)(N)CO HR137135 [1,1,0,0,0,0|1,0,0]=3 654 B5R0.4 CC(C)(N)CO HR2208 [1,1,0,0,0,0|1,0,0]=3 655 B5R0.4 CC(C)(O)CCl HR122214 [1,1,0,0,0,0|1,0,0]=3 656 B5R0.4 CC(C)(O)CN HR119672 [1,1,0,0,0,0|1,0,0]=3 657 B5R0.4 CC(C)(O)CO HR110394 [1,1,0,0,0,0|0,0,0]=2 658 B5R0.4 CC(F)(F)CN HR127484 [1,1,0,0,0,0|2,0,0]=4 659 B5R0.4 CC(F)(F)CO HR129092 [1,1,0,0,0,0|1,0,0]=3 660 B5R0.4 CCC(C)(C)N HR144592 [1,1,0,0,0,0|1,0,0]=3 661 B5R0.4 CCC(C)(C)[O-] HR107494 [1,1,0,0,0,0|0,0,1]=3 662 B5R0.4 CCC(C)(C)[O-] HR122136 [1,1,0,0,0,0|0,0,1]=3 663 B5R0.4 CCS(=O)(=O)O HR132580 [1,1,0,0,0,0|2,0,0]=4 664 B5R0.4 CCS(C)(=O)=O HR107675 [1,1,0,0,0,0|1,0,1]=4 665 B5R0.4 CC[N+](C)(C)C HR115053 [1,1,0,0,0,0|2,0,0]=4 666 B5R0.4 CC[N+](C)(C)[O-] HR119146 [1,1,0,0,0,0|1,0,1]=4 667 B5R0.4 CC[Si](C)(C)C HR134601 [1,1,0,0,0,0|1,1,0]=4 668 B5R0.4 CC[Si](C)(C)Cl HR101347 [1,1,0,0,0,0|1,1,0]=4 669 B5R0.4 CC[Si](C)(Cl)Cl HR145616 [1,1,0,0,0,0|1,1,0]=4 670 B5R0.4 CNC(C)(C)C HR141698 [1,1,0,0,0,0|2,0,0]=4 671 B5R0.4 C[Si](C)(C)CO HR109002 [1,1,0,0,0,0|1,1,0]=4 672 B5R0.4 OCC(Br)(Br)Br HR127061 [1,1,0,0,0,0|2,0,0]=4 673 B5R0.4 OCC(Cl)(Cl)Cl HR127385 [1,1,0,0,0,0|2,0,0]=4 674 B5R0.4 OCC(F)(F)F HR147080 [1,1,0,0,0,0|2,0,0]=4 675 B5R0.5 CC(=O)C(C)Br HR130439 [1,1,0,0,0,0|0,0,2]=4 676 B5R0.5 CC(=O)C(C)C HR147367 [1,1,0,0,0,0|0,0,2]=4 677 B5R0.5 CC(=O)C(C)Cl HR132014 [1,1,0,0,0,0|0,0,2]=4 678 B5R0.5 CC(=O)C(C)S HR123296 [1,1,0,0,0,0|0,0,2]=4 679 B5R0.5 CC(Br)C(=O)O HR118834 [1,1,0,0,0,0|1,0,1]=4 680 B5R0.5 CC(Br)C(=O)O HR119145 [1,1,0,0,0,0|1,0,1]=4 681 B5R0.5 CC(C)B(O)O HR125100 [1,1,0,0,0,0|2,0,0]=4 682 B5R0.5 CC(C)C(C)N HR121679 [1,1,0,0,0,0|1,0,0]=3 683 B5R0.5 CC(C)C(C)S HR123979 [1,1,0,0,0,0|0,1,0]=3 684 B5R0.5 CC(C)N(C)C HR142079 [1,1,0,0,0,0|2,0,0]=4 685 B5R0.5 CC(Cl)C(=O)O HR133703 [1,1,0,0,0,0|1,0,1]=4 686 B5R0.5 CC(Cl)C(=O)O HR5746 [1,1,0,0,0,0|1,0,1]=4 687 B5R0.5 CC(F)C(=O)O HR125319 [1,1,0,0,0,0|1,0,1]=4 688 B5R0.5 CC(N)B(O)O HR32488 [1,1,0,0,0,0|2,0,0]=4 689 B5R0.5 CC(N)B(O)O HR32531 [1,1,0,0,0,0|2,0,0]=4 690 B5R0.5 CC(N)B(O)O HR32539 [1,1,0,0,0,0|2,0,0]=4 691 B5R0.5 CC(N)C(=O)O HR127064 [1,1,0,0,0,0|1,0,1]=4 692 B5R0.5 CC(N)C(=O)O HR128842 [1,1,0,0,0,0|1,0,1]=4 693 B5R0.5 CC(N)C(=O)O HR135609 [1,1,0,0,0,0|1,0,1]=4 694 B5R0.5 CC(N)C(=O)O HR143449 [1,1,0,0,0,0|1,0,1]=4 695 B5R0.5 CC(N)C(C)O HR115270 [1,1,0,0,0,0|0,0,0]=2 696 B5R0.5 CC(N)[13C](=O)O HR144974 [1,1,0,0,0,0|1,0,1]=4 697 B5R0.5 CC(O)C(=O)O HR122637 [1,1,0,0,0,0|0,0,1]=3 698 B5R0.5 CC(O)C(=O)O HR124397 [1,1,0,0,0,0|0,0,1]=3 699 B5R0.5 CC(O)C(=O)O HR137557 [1,1,0,0,0,0|0,0,1]=3 700 B5R0.5 CC(O)C(=O)[O-] HR101208 [1,1,0,0,0,0|0,0,2]=4 701 B5R0.5 CC(O)C(=O)[O-] HR124337 [1,1,0,0,0,0|0,0,2]=4 702 B5R0.5 CC(O)C(=O)[O-] HR125547 [1,1,0,0,0,0|0,0,2]=4 703 B5R0.5 CC(O)C(=O)[O-] HR126089 [1,1,0,0,0,0|0,0,2]=4 704 B5R0.5 CC(O)C(=O)[O-] HR127008 [1,1,0,0,0,0|0,0,2]=4 705 B5R0.5 CC(O)C(=O)[O-] HR127541 [1,1,0,0,0,0|0,0,2]=4 706 B5R0.5 CC(O)C(=O)[O-] HR127693 [1,1,0,0,0,0|0,0,2]=4 707 B5R0.5 CC(O)C(=O)[O-] HR132263 [1,1,0,0,0,0|0,0,2]=4 708 B5R0.5 CC(O)C(C)O HR128860 [1,1,0,0,0,0|0,0,0]=2 709 B5R0.5 CC(O)C(C)O HR129128 [1,1,0,0,0,0|0,0,0]=2 710 B5R0.5 CC(O)C(C)O HR130175 [1,1,0,0,0,0|0,0,0]=2 711 B5R0.5 CC(O)C(N)=O HR103895 [1,1,0,0,0,0|0,0,2]=4 712 B5R0.5 CC(O)C(N)=O HR125386 [1,1,0,0,0,0|0,0,2]=4 713 B5R0.5 CC(S)C(C)S HR129973 [1,1,0,0,0,0|0,1,0]=3 714 B5R0.5 C[13CH](N)C(=O)O HR143521 [1,1,0,0,0,0|1,0,1]=4 715 B5R0.5 [13CH3]C(N)C(=O)O HR141384 [1,1,0,0,0,0|1,0,1]=4 716 B5R0.5 [13CH3]C(N)C(=O)O HR144202 [1,1,0,0,0,0|1,0,1]=4 717 B5R0.2 BrCCCCBr HR135783 [1,1,0,0,0,0|1,0,0]=3 718 B5R0.2 C#CCCCBr HR107694 [1,1,0,0,0,0|1,0,1]=4 719 B5R0.2 C#CCCCCl HR138891 [1,1,0,0,0,0|1,0,1]=4 720 B5R0.2 C#CCCCO VIJL03307 [1,1,0,0,0,0|0,0,1]=3 721 B5R0.2 C=CCCCBr HR138516 [1,1,0,0,0,0|1,0,1]=4 722 B5R0.2 C=CCCCN HR114551 [1,1,0,0,0,0|1,0,1]=4 723 B5R0.2 C=CCCCO HR127694 [1,1,0,0,0,0|0,0,1]=3 724 B5R0.2 C=COCCC HR122922 [1,1,0,0,0,0|1,0,1]=4 725 B5R0.2 C=COCCO HR122391 [1,1,0,0,0,0|0,0,2]=4 726 B5R0.2 CCC#CCO HR139189 [1,1,0,0,0,0|0,0,1]=3 727 B5R0.2 CCCCSC HR128739 [1,1,0,0,0,0|0,1,0]=3 728 B5R0.2 CCCC[Mg]Cl HR114410 [1,1,0,0,0,0|1,0,0]=3 729 B5R0.2 CCCN=C=S HR101077 [1,1,0,0,0,0|0,1,1]=4 730 B5R0.2 CCCNCC HR129859 [1,1,0,0,0,0|1,0,0]=3 731 B5R0.2 CCCSC#N HR138481 [1,1,0,0,0,0|1,0,1]=4 732 B5R0.2 CCCSCC HR131098 [1,1,0,0,0,0|1,0,0]=3 733 B5R0.2 CCCSSC HR127587 [1,1,0,0,0,0|1,1,0]=4 734 B5R0.2 CCNCCN HR124923 [1,1,0,0,0,0|1,0,0]=3 735 B5R0.2 CCNCCO HR131326 [1,1,0,0,0,0|0,0,0]=2 736 B5R0.2 CCOCCBr HR147270 [1,1,0,0,0,0|1,0,0]=3 737 B5R0.2 CCOCCCl HR125621 [1,1,0,0,0,0|1,0,0]=3 738 B5R0.2 CCOCCN HR133098 [1,1,0,0,0,0|1,0,0]=3 739 B5R0.2 CCOCCN HR141597 [1,1,0,0,0,0|1,0,0]=3 740 B5R0.2 CCSCCCl HR138028 [1,1,0,0,0,0|1,0,0]=3 741 B5R0.2 CCSSCC HR137639 [1,1,0,0,0,0|2,0,0]=4 742 B5R0.2 CC[Se][Se]CC HR102291 [1,1,0,0,0,0|2,0,0]=4 743 B5R0.2 CC\C=C\CBr HR102032 [1,1,0,0,0,0|1,0,1]=4 744 B5R0.2 CNCCC#N HR138081 [1,1,0,0,0,0|1,0,1]=4 745 B5R0.2 CNCCCN HR127543 [1,1,0,0,0,0|1,0,0]=3 746 B5R0.2 CNCCNC HR134870 [1,1,0,0,0,0|2,0,0]=4 747 B5R0.2 COCCC#N HR131327 [1,1,0,0,0,0|1,0,1]=4 748 B5R0.2 COCCCBr HR11240 [1,1,0,0,0,0|1,0,0]=3 749 B5R0.2 COCCCCl HR128474 [1,1,0,0,0,0|1,0,0]=3 750 B5R0.2 COCCCN HR131273 [1,1,0,0,0,0|1,0,0]=3 751 B5R0.2 COCCCO HR1936 [1,1,0,0,0,0|0,0,0]=2 752 B5R0.2 COCCOC HR147135 [1,1,0,0,0,0|1,0,0]=3 753 B5R0.2 CSCCCCl HR118093 [1,1,0,0,0,0|1,0,0]=3 754 B5R0.2 C\C=C\CCC HR121014 [1,1,0,0,0,0|1,0,1]=4 755 B5R0.2 ClCCCCBr AZXF00302 [1,1,0,0,0,0|1,0,0]=3 756 B5R0.2 ClCCCCI HR102777 [1,1,0,0,0,0|1,0,0]=3 757 B5R0.2 ICCCCI HR127157 [1,1,0,0,0,0|1,0,0]=3 758 B5R0.2 N#CCCCBr HR128031 [1,1,0,0,0,0|1,0,1]=4 759 B5R0.2 N#CCCCCl HR129927 [1,1,0,0,0,0|1,0,1]=4 760 B5R0.2 NCCCCBr HR148711 [1,1,0,0,0,0|1,0,0]=3 761 B5R0.2 NCCCCN HR123185 [1,1,0,0,0,0|1,0,0]=3 762 B5R0.2 NCCCCO HR105259 [1,1,0,0,0,0|0,0,0]=2 763 B5R0.2 NC\C=C\CO HR108338 [1,1,0,0,0,0|0,0,2]=4 764 B5R0.2 O=COCCO HR145529 [1,1,0,0,0,0|0,0,2]=4 765 B5R0.2 OCC#CCO HR131801 [1,1,0,0,0,0|0,0,1]=3 766 B5R0.2 OCCCCCl HR129662 [1,1,0,0,0,0|0,0,0]=2 767 B5R0.2 OC\C=C\CCl HR102138 [1,1,0,0,0,0|0,0,2]=4 768 B5R0.2 OC\C=C\CO HR109258 [1,1,0,0,0,0|0,0,1]=3 769 B5R0.2 OC\C=C\CO HR127834 [1,1,0,0,0,0|0,0,1]=3 770 B5R0.2 OC\C=C\CO HR134158 [1,1,0,0,0,0|0,0,1]=3 771 B5R0.2 SCCCCS HR128290 [1,1,0,0,0,0|0,1,0]=3 772 B7R0.2 CC(C)CC(N)CO HR123929 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.2 CC(C)CC(N)CO HR30172 [0,2,0,0,0,0|1,0,0]=3 774 B7R0.2 CC(C)OC(=O)CO HR105901 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.2 CCC(C)CC(=O)O HR11273 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.2 CCC(C)CC(=O)O HR135865 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.2 CCC(C)CC(C)N HR121358 [0,2,0,0,0,0|2,0,0]=4 778 B7R0.2 CCC(C)CC(C)N HR123488 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.2 CCC(N)CC(=O)O HR114631 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.2 CCC(N)CC(=O)O HR143295 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.2 CCC(N)CC(=O)O HR147022 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.2 CN(C)CC(O)CO HR136676 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.2 CN(C)CC(O)CO HR145868 [0,2,0,0,0,0|2,0,0]=4 784 B7R0.2 COC(=O)CC(C)N HR119861 [0,2,0,0,0,0|1,0,1]=4 785 B7R0.2 COC(=O)CC(C)N HR143484 [0,2,0,0,0,0|1,0,1]=4 786 B7R0.2 COC(=O)CC(C)O HR138815 [0,2,0,0,0,0|0,0,1]=3 787 B7R0.2 C\C(CC(C)C)=N/O HR128219 [0,2,0,0,0,0|1,0,1]=4 788 B7R0.2 NCC(O)CC(=O)O HR137304 [0,2,0,0,0,0|0,0,1]=3 789 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [0,2,0,0,0,0|0,0,2]=4 790 B7R0.3 C#CCOC(C)CO HR141248 [0,2,0,0,0,0|1,0,1]=4 791 B7R0.3 CC(C#N)CCC#N HR101299 [0,2,0,0,0,0|2,0,0]=4 792 B7R0.3 CC(CN)CCCN HR143541 [0,2,0,0,0,0|2,0,0]=4 793 B7R0.3 CC(CO)CCCO HR145878 [0,2,0,0,0,0|0,0,0]=2 794 B7R0.3 CCC(C)CCCO HR119648 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.3 CCCCC(Br)CBr HR101739 [0,2,0,0,0,0|2,0,0]=4 796 B7R0.3 CCCCC(O)CC HR100535 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.3 CCCCC(O)CO HR100017 [0,2,0,0,0,0|1,0,0]=3 798 B7R0.3 CCCC\C(C)=N/O HR101112 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.3 COCCC(=O)OC HR130750 [0,2,0,0,0,0|0,0,2]=4 800 B7R0.3 COCCC(C)OC HR124557 [0,2,0,0,0,0|0,0,0]=2 801 B7R0.3 COCOC(C)CO HR116453 [0,2,0,0,0,0|1,0,0]=3 802 B7R0.3 CSCCC(N)CO HR124191 [0,2,0,0,0,0|1,1,0]=4 803 B7R0.3 CSCCC(N)CO HR124440 [0,2,0,0,0,0|1,1,0]=4 804 B7R0.3 NCC(Cl)CCCCl HR113602 [0,2,0,0,0,0|2,0,0]=4 805 B7R0.5 C=CCC(C)C(=O)O HR143156 [0,2,0,0,0,0|1,0,1]=4 806 B7R0.5 CC(C)N(C)CCO HR110784 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.5 CCCC(=O)C(C)C HR130078 [0,2,0,0,0,0|2,0,0]=4 808 B7R0.5 CCCC(Br)C(=O)O HR114924 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.5 CCCC(C)C(=O)O HR131664 [0,2,0,0,0,0|1,0,0]=3 810 B7R0.5 CCCC(N)C(=O)O HR122649 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.5 CCCC(N)C(=O)O HR136723 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.5 CCCC(N)C(=O)O HR138486 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.5 CCCC(O)C(C)C HR101888 [0,2,0,0,0,0|1,0,0]=3 814 B7R0.5 CCOC(=O)C(C)O HR100136 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.5 CCOC(=O)C(C)O HR15558 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.5 COCC(N)C(=O)O HR108882 [0,2,0,0,0,0|1,0,1]=4 817 B7R0.5 COCC(N)C(=O)O HR109701 [0,2,0,0,0,0|1,0,1]=4 818 B7R0.5 COCC(N)C(=O)O HR110015 [0,2,0,0,0,0|1,0,1]=4 819 B7R0.5 COCC(N)C(=O)O HR115078 [0,2,0,0,0,0|1,0,1]=4 820 B7R0.5 COCC(N)C(=O)O HR115700 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.5 NC(CCBr)C(=O)O HR102483 [0,2,0,0,0,0|2,0,0]=4 822 B7R0.5 NC(CCO)C(=O)O HR122160 [0,2,0,0,0,0|1,0,0]=3 823 B7R0.5 NC(CCO)C(=O)O HR127129 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.5 NC(CCO)C(=O)O HR129910 [0,2,0,0,0,0|1,0,0]=3 825 B7R0.5 NC(CCS)C(=O)O HR100636 [0,2,0,0,0,0|1,1,0]=4 826 B7R0.5 NC(CCS)C(=O)O HR137923 [0,2,0,0,0,0|1,1,0]=4 827 B7R0.5 NCCC(N)C(=O)O HR112825 [0,2,0,0,0,0|2,0,0]=4 828 B7R0.5 NCCC(N)C(=O)O HR14752 [0,2,0,0,0,0|2,0,0]=4 829 B7R0.5 O=C(O)C(Br)CCBr HR138979 [0,2,0,0,0,0|2,0,0]=4 830 B7R0.7 C=CCC(O)CC=C HR121999 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.7 CC(CCO)CCO HR143828 [0,2,0,0,0,0|0,0,0]=2 832 B7R0.7 CCCC(Br)CCC HR101804 [0,2,0,0,0,0|2,0,0]=4 833 B7R0.7 CCCC(C)CCO HR101631 [0,2,0,0,0,0|1,0,0]=3 834 B7R0.7 CCCC(N)CCC HR105135 [0,2,0,0,0,0|2,0,0]=4 835 B7R0.7 CCCC(S)CCO HR131891 [0,2,0,0,0,0|0,1,0]=3 836 B7R0.7 CCOC(C)OCC HR147572 [0,2,0,0,0,0|2,0,0]=4 837 B7R0.7 CN(CCO)CCO HR128660 [0,2,0,0,0,0|1,0,0]=3 838 B7R0.7 COCC(O)COC HR132165 [0,2,0,0,0,0|2,0,0]=4 839 B7R0.7 CSCC(O)CNN HR121914 [0,2,0,0,0,0|2,0,0]=4 840 B7R0.7 N#CCC(O)CC#N HR128922 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.10 BrCC(Br)C(Br)CBr HR130497 [0,2,0,0,0,0|2,0,0]=4 842 B7R0.10 CCC(C)C(N)CO HR103998 [0,2,0,0,0,0|1,0,0]=3 843 B7R0.10 CCC(C)C(N)CO HR123663 [0,2,0,0,0,0|1,0,0]=3 844 B7R0.10 CCC(S)C(C)C=O HR125292 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.10 CCC(S)C(C)CO HR125550 [0,2,0,0,0,0|0,1,0]=3 846 B7R0.10 COC(=O)C(C)CO HR144262 [0,2,0,0,0,0|0,0,2]=4 847 B7R0.10 COC(=O)C(N)CO HR126639 [0,2,0,0,0,0|0,0,2]=4 848 B7R0.10 COC(=O)C(N)CO HR134950 [0,2,0,0,0,0|0,0,2]=4 849 B7R0.10 COC(=O)C(N)CO HR136274 [0,2,0,0,0,0|0,0,2]=4 850 B7R0.10 COC(=O)C(N)CO HR146542 [0,2,0,0,0,0|0,0,2]=4 851 B7R0.10 COC(=O)C(O)CO HR119304 [0,2,0,0,0,0|0,0,2]=4 852 B7R0.10 O=C(CO)C(O)CO HR100190 [0,2,0,0,0,0|0,0,1]=3 853 B7R0.10 O=CC(O)C(O)CO HR100969 [0,2,0,0,0,0|0,0,1]=3 854 B7R0.10 O=CC(O)C(O)CO HR101757 [0,2,0,0,0,0|0,0,1]=3 855 B7R0.10 OC(CBr)C(O)CBr HR101850 [0,2,0,0,0,0|1,0,0]=3 856 B7R0.10 OC(CBr)C(O)CBr HR124879 [0,2,0,0,0,0|1,0,0]=3 857 B7R0.10 OC(CS)C(O)CS HR112206 [0,2,0,0,0,0|0,1,0]=3 858 B7R0.10 OC(CS)C(O)CS HR123346 [0,2,0,0,0,0|0,1,0]=3 859 B7R0.10 OC(CS)C(O)CS HR124424 [0,2,0,0,0,0|0,1,0]=3 860 B7R0.10 OCC(Br)C(Br)CO HR100633 [0,2,0,0,0,0|1,0,0]=3 861 B7R0.10 OCC(O)C(O)CO HR124411 [0,2,0,0,0,0|0,0,0]=2 862 B7R0.10 OCC(O)C(O)CO HR141089 [0,2,0,0,0,0|0,0,0]=2 863 B7R0.11 CCCC(C)(O)CC HR122193 [0,2,0,0,0,0|1,0,0]=3 864 B7R0.11 CCOC(C)(O)CO HR111902 [0,2,0,0,0,0|2,0,0]=4 865 B7R0.11 COC(C)(C)CCO HR134365 [0,2,0,0,0,0|0,0,0]=2 866 B7R0.12 CCCC(CO)CO HR122880 [0,2,0,0,0,0|1,0,0]=3 867 B7R0.12 CCN(CC)CCO HR131550 [0,2,0,0,0,0|2,0,0]=4 868 B7R0.12 CCNC(CC)CO HR103906 [0,2,0,0,0,0|2,0,0]=4 869 B7R0.12 CNCC(OC)OC HR126824 [0,2,0,0,0,0|2,0,0]=4 870 B7R0.12 COC(CC#N)OC HR144233 [0,2,0,0,0,0|1,0,1]=4 871 B7R0.12 COC(CCBr)OC HR118221 [0,2,0,0,0,0|1,0,0]=3 872 B7R0.12 COC(CSC)OC HR129499 [0,2,0,0,0,0|2,0,0]=4 873 B7R0.12 COCC(OC)OC HR140439 [0,2,0,0,0,0|2,0,0]=4 874 B7R0.9 CC(C)(C)CC(=O)O HR132975 [0,2,0,0,0,0|1,0,1]=4 875 B7R0.9 CC(C)(N)CC(=O)O HR107222 [0,2,0,0,0,0|1,0,1]=4 876 B7R0.9 CC(C)(N)CC(=O)O HR148652 [0,2,0,0,0,0|1,0,1]=4 877 B7R0.9 CC(C)(O)CC(=O)O HR136960 [0,2,0,0,0,0|0,0,1]=3 878 B7R0.9 CC(C)(O)CC(=O)[O-] HR140891 [0,2,0,0,0,0|0,0,2]=4 879 B7R0.9 CC(O)CC(C)(C)O HR128211 [0,2,0,0,0,0|0,0,0]=2 880 B7R0.9 CC(O)C[N+](C)(C)C HR145590 [0,2,0,0,0,0|2,0,0]=4 881 B7R0.16 CC(Br)C(Br)C(=O)O HR127665 [0,2,0,0,0,0|1,0,1]=4 882 B7R0.16 CC(C)C(Br)C(=O)O HR115414 [0,2,0,0,0,0|1,0,1]=4 883 B7R0.16 CC(C)C(Br)C(=O)O HR124122 [0,2,0,0,0,0|1,0,1]=4 884 B7R0.16 CC(C)C(Br)C(=O)O HR137032 [0,2,0,0,0,0|1,0,1]=4 885 B7R0.16 CC(C)C(Cl)C(=O)O HR103881 [0,2,0,0,0,0|1,0,1]=4 886 B7R0.16 CC(C)C(F)C(=O)O HR116661 [0,2,0,0,0,0|1,0,1]=4 887 B7R0.16 CC(C)C(N)B(O)O HR32489 [0,2,0,0,0,0|2,0,0]=4 888 B7R0.16 CC(C)C(N)C(=O)O HR126445 [0,2,0,0,0,0|1,0,1]=4 889 B7R0.16 CC(C)C(N)C(=O)O HR130729 [0,2,0,0,0,0|1,0,1]=4 890 B7R0.16 CC(C)C(N)C(=O)O HR134362 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.16 CC(C)C(N)C(=O)O HR141699 [0,2,0,0,0,0|1,0,1]=4 892 B7R0.16 CC(C)C(O)C(=O)O HR124143 [0,2,0,0,0,0|1,0,1]=4 893 B7R0.16 CC(C)C(O)C(C)C HR135657 [0,2,0,0,0,0|2,0,0]=4 894 B7R0.16 CC(O)C(N)C(=O)O HR126335 [0,2,0,0,0,0|0,0,1]=3 895 B7R0.16 CC(O)C(N)C(=O)O HR128851 [0,2,0,0,0,0|0,0,1]=3 896 B7R0.16 CC(O)C(N)C(=O)O HR129391 [0,2,0,0,0,0|0,0,1]=3 897 B7R0.16 CC(O)C(N)C(=O)O HR129491 [0,2,0,0,0,0|0,0,1]=3 898 B7R0.16 CC(O)C(N)C(=O)O HR135216 [0,2,0,0,0,0|0,0,1]=3 899 B7R0.16 CC(O)C(N)C(=O)O HR138779 [0,2,0,0,0,0|0,0,1]=3 900 B7R0.16 CC(O)C(N)C(N)=O RASA04107 [0,2,0,0,0,0|0,0,2]=4 901 B7R0.13 CC(C)(CO)C(=O)O HR140236 [0,2,0,0,0,0|1,0,1]=4 902 B7R0.13 CC(N)(CO)C(=O)O HR130651 [0,2,0,0,0,0|1,0,1]=4 903 B7R0.13 CN(C)C(C)(C)CO HR145341 [0,2,0,0,0,0|2,0,0]=4 904 B7R0.13 OCC(F)(F)C(F)F IDSA06808 [0,2,0,0,0,0|2,0,0]=4 905 B7R0.14 CC(C)(C)C(N)CO HR124922 [0,2,0,0,0,0|1,0,0]=3 906 B7R0.14 CC(C)(C)C(N)CO HR133965 [0,2,0,0,0,0|1,0,0]=3 907 B7R0.14 CCC(O)C(C)(C)C HR139949 [0,2,0,0,0,0|2,0,0]=4 908 B7R0.14 OCC(Br)C(F)(F)F HR116500 [0,2,0,0,0,0|2,0,0]=4 909 B7R0.15 CCC(C=O)C(C)C HR121900 [0,2,0,0,0,0|2,0,0]=4 910 B7R0.15 CNC(CO)C(=O)O HR112824 [0,2,0,0,0,0|1,0,1]=4 911 B7R0.4 CC(C)CCCC=O HR117171 [0,2,0,0,0,0|1,0,1]=4 912 B7R0.4 CC(C)CCCCBr HR119057 [0,2,0,0,0,0|2,0,0]=4 913 B7R0.4 CC(C)CCCCO HR145339 [0,2,0,0,0,0|1,0,0]=3 914 B7R0.4 CC(C)OCCCCl HR125103 [0,2,0,0,0,0|2,0,0]=4 915 B7R0.4 CC(C)OCCCN HR136075 [0,2,0,0,0,0|2,0,0]=4 916 B7R0.4 CC(O)CCCCO HR100920 [0,2,0,0,0,0|0,0,0]=2 917 B7R0.4 CCCCCC(C)Br HR136114 [0,2,0,0,0,0|2,0,0]=4 918 B7R0.4 CCCCCC(C)O HR113580 [0,2,0,0,0,0|1,0,0]=3 919 B7R0.4 CCCCCC(C)O HR113894 [0,2,0,0,0,0|1,0,0]=3 920 B7R0.4 CCCCCC(C)O HR133526 [0,2,0,0,0,0|1,0,0]=3 921 B7R0.4 CCCOCC(C)O HR142954 [0,2,0,0,0,0|1,0,0]=3 922 B7R0.6 CC(=O)CCC(=O)O HR127576 [0,2,0,0,0,0|0,0,2]=4 923 B7R0.6 CC(Br)CCC(C)Br HR138142 [0,2,0,0,0,0|2,0,0]=4 924 B7R0.6 CC(C)CCB(O)O HR142030 [0,2,0,0,0,0|1,0,0]=3 925 B7R0.6 CC(C)CCC(=O)Cl HR101969 [0,2,0,0,0,0|1,0,1]=4 926 B7R0.6 CC(C)CCC(=O)O HR141883 [0,2,0,0,0,0|1,0,0]=3 927 B7R0.6 CC(C)CCC(C)N HR130987 [0,2,0,0,0,0|2,0,0]=4 928 B7R0.6 CC(O)C#CC(C)O HR134568 [0,2,0,0,0,0|0,0,1]=3 929 B7R0.6 CC(O)CCC(C)O HR127516 [0,2,0,0,0,0|0,0,0]=2 930 B7R0.6 CC(O)CCC(C)O HR141439 [0,2,0,0,0,0|0,0,0]=2 931 B7R0.6 CC(O)CCC(C)O HR141535 [0,2,0,0,0,0|0,0,0]=2 932 B7R0.6 CN(C)CCC(=O)O HR114553 [0,2,0,0,0,0|2,0,0]=4 933 B7R0.6 CN(C)CCC(=O)O HR147791 [0,2,0,0,0,0|2,0,0]=4 934 B7R0.6 C[S+](C)CCC(=O)O HR107679 [0,2,0,0,0,0|2,0,0]=4 935 B7R0.6 O=C(O)CCC(=O)O HR128111 [0,2,0,0,0,0|1,0,1]=4 936 B7R0.6 O=C(O)CCC(=O)O HR135208 [0,2,0,0,0,0|1,0,1]=4 937 B7R0.8 CC(C)(C)OCCO HR101558 [0,2,0,0,0,0|1,0,0]=3 938 B7R0.8 O=S(=O)(O)CCCO HR123153 [0,2,0,0,0,0|2,0,0]=4 939 B7R0.8 OCCCC(F)(F)F HR136509 [0,2,0,0,0,0|2,0,0]=4 940 B5R1.2 BrC1CCC1 HR102749 [1,0,0,1,0,0|1,0,0]=3 941 B5R1.2 BrC1COC1 HR115176 [1,0,0,1,0,0|1,0,0]=3 942 B5R1.2 CC1CNC1 HR148337 [1,0,0,1,0,0|2,0,0]=4 943 B5R1.2 CC1COC1 HR120786 [1,0,0,1,0,0|1,0,0]=3 944 B5R1.2 ClC1CCC1 HR137502 [1,0,0,1,0,0|1,0,0]=3 945 B5R1.2 FC1CNC1 HR114564 [1,0,0,1,0,0|2,0,0]=4 946 B5R1.2 FC1CNC1 HR119590 [1,0,0,1,0,0|2,0,0]=4 947 B5R1.2 FC1COC1 HR108703 [1,0,0,1,0,0|1,0,0]=3 948 B5R1.2 IC1COC1 HR115483 [1,0,0,1,0,0|1,0,0]=3 949 B5R1.2 NC1CCC1 HR102182 [1,0,0,1,0,0|1,0,0]=3 950 B5R1.2 NC1CCC1 HR132878 [1,0,0,1,0,0|1,0,0]=3 951 B5R1.2 NC1CNC1 HR109096 [1,0,0,1,0,0|2,0,0]=4 952 B5R1.2 NC1COC1 HR102200 [1,0,0,1,0,0|1,0,0]=3 953 B5R1.2 NC1COC1 HR115802 [1,0,0,1,0,0|1,0,0]=3 954 B5R1.2 NC1CSC1 HR112586 [1,0,0,1,0,0|1,1,0]=4 955 B5R1.2 O=C1CCC1 HR9021 [1,0,0,1,0,0|0,0,2]=4 956 B5R1.2 O=C1CCO1 HR101496 [1,0,0,1,0,0|1,0,1]=4 957 B5R1.2 O=C1COC1 HR111276 [1,0,0,1,0,0|0,0,2]=4 958 B5R1.2 OC1CCC1 HR128363 [1,0,0,1,0,0|0,0,0]=2 959 B5R1.2 OC1CNC1 HR114549 [1,0,0,1,0,0|1,0,0]=3 960 B5R1.2 OC1CNC1 HR30109 [1,0,0,1,0,0|1,0,0]=3 961 B5R1.2 OC1COC1 HR111585 [1,0,0,1,0,0|0,0,0]=2 962 B5R1.2 OC1CSC1 HR112439 [1,0,0,1,0,0|0,1,0]=3 963 B5R1.3 BrCC1CC1 HR30148 [1,0,0,1,0,0|2,0,0]=4 964 B5R1.3 CCC1CO1 HR112534 [1,0,0,1,0,0|0,0,0]=2 965 B5R1.3 CCC1CO1 HR129561 [1,0,0,1,0,0|0,0,0]=2 966 B5R1.3 CNC1CC1 HR105333 [1,0,0,1,0,0|2,0,0]=4 967 B5R1.3 CNC1CC1 HR110058 [1,0,0,1,0,0|2,0,0]=4 968 B5R1.3 ClCC1CC1 HR125156 [1,0,0,1,0,0|2,0,0]=4 969 B5R1.3 ClCC1CO1 ARJL02208 [1,0,0,1,0,0|1,0,0]=3 970 B5R1.3 ClCC1CO1 HR121112 [1,0,0,1,0,0|1,0,0]=3 971 B5R1.3 NCC1CC1 HR135954 [1,0,0,1,0,0|2,0,0]=4 972 B5R1.3 OCC1CC1 HR9773 [1,0,0,1,0,0|1,0,0]=3 973 B5R1.3 OCC1CO1 HR101323 [1,0,0,1,0,0|0,0,0]=2 974 B5R1.3 OCC1CO1 HR138217 [1,0,0,1,0,0|0,0,0]=2 975 B5R1.3 OCC1CO1 HR138484 [1,0,0,1,0,0|0,0,0]=2 976 B5R1.4 CC1OC1C HR131286 [1,0,0,1,0,0|0,0,0]=2 977 B5R1.5 CC1(C)CO1 HR111000 [1,0,0,1,0,0|1,0,0]=3 978 B5R1.5 CC1(N)CC1 HR148735 [1,0,0,1,0,0|1,0,0]=3 979 B5R1.5 CC1(O)CC1 HR103926 [1,0,0,1,0,0|0,0,0]=2 980 B5R1.1 C1=CCOC1 HR126187 [1,0,0,1,0,0|0,0,2]=4 981 B5R1.1 C1=COCC1 CEJL02606 [1,0,0,1,0,0|0,0,2]=4 982 B5R1.1 C1CCNC1 HR147708 [1,0,0,1,0,0|1,0,0]=3 983 B5R1.1 C1CCOC1 HR118830 [1,0,0,1,0,0|0,0,0]=2 984 B5R1.1 C1CCOC1 HR130654 [1,0,0,1,0,0|0,0,0]=2 985 B7R1.1 BrCC1CCCC1 HR3104 [0,1,0,1,0,0|2,0,0]=4 986 B7R1.1 BrCC1CCCO1 HR129840 [0,1,0,1,0,0|1,0,0]=3 987 B7R1.1 BrCC1CCOC1 HR103769 [0,1,0,1,0,0|1,0,0]=3 988 B7R1.1 BrCC1OCCO1 HR132681 [0,1,0,1,0,0|2,0,0]=4 989 B7R1.1 Br[Mg]C1CCCC1 HR125805 [0,1,0,1,0,0|2,0,0]=4 990 B7R1.1 C#CC1CCCC1 HR119915 [0,1,0,1,0,0|2,0,0]=4 991 B7R1.1 CNC1CCNC1 HR120595 [0,1,0,1,0,0|2,0,0]=4 992 B7R1.1 CNC1CCNC1 HR120910 [0,1,0,1,0,0|2,0,0]=4 993 B7R1.1 CNC1CCOC1 HR117706 [0,1,0,1,0,0|1,0,0]=3 994 B7R1.1 CNC1CCOC1 HR119346 [0,1,0,1,0,0|1,0,0]=3 995 B7R1.1 COC1CCCC1 HR102853 [0,1,0,1,0,0|1,0,0]=3 996 B7R1.1 COC1CCNC1 HR108681 [0,1,0,1,0,0|1,0,0]=3 997 B7R1.1 COC1CCNC1 HR121825 [0,1,0,1,0,0|1,0,0]=3 998 B7R1.1 COC1CCNC1 HR145941 [0,1,0,1,0,0|1,0,0]=3 999 B7R1.1 COC1CCNC1 HR145942 [0,1,0,1,0,0|1,0,0]=3 1000 B7R1.1 COC1CCNC1 HR147769 [0,1,0,1,0,0|1,0,0]=3 1001 B7R1.1 COC1CCNC1 HR147770 [0,1,0,1,0,0|1,0,0]=3 1002 B7R1.1 ClCC1CCCO1 HR119687 [0,1,0,1,0,0|1,0,0]=3 1003 B7R1.1 ClCC1OCCO1 HR129577 [0,1,0,1,0,0|2,0,0]=4 1004 B7R1.1 Cl[Mg]C1CCCC1 HR125549 [0,1,0,1,0,0|2,0,0]=4 1005 B7R1.1 N#CC1CCNC1 HR149013 [0,1,0,1,0,0|2,0,0]=4 1006 B7R1.1 N#CC1CCOC1 HR111588 [0,1,0,1,0,0|1,0,0]=3 1007 B7R1.1 NCC1CCCC1 HR113514 [0,1,0,1,0,0|2,0,0]=4 1008 B7R1.1 NCC1CCCC1 HR143637 [0,1,0,1,0,0|2,0,0]=4 1009 B7R1.1 NCC1CCCN1 HR142418 [0,1,0,1,0,0|2,0,0]=4 1010 B7R1.1 NCC1CCCO1 HR130884 [0,1,0,1,0,0|1,0,0]=3 1011 B7R1.1 NCC1CCCO1 HR146003 [0,1,0,1,0,0|1,0,0]=3 1012 B7R1.1 NCC1CCOC1 HR112138 [0,1,0,1,0,0|1,0,0]=3 1013 B7R1.1 NNC1CCCC1 HR137608 [0,1,0,1,0,0|2,0,0]=4 1014 B7R1.1 O=CC1CCCC1 HR129057 [0,1,0,1,0,0|1,0,1]=4 1015 B7R1.1 O=CC1CCCO1 HR106351 [0,1,0,1,0,0|1,0,1]=4 1016 B7R1.1 O=CC1CCOC1 HR111279 [0,1,0,1,0,0|0,0,1]=3 1017 B7R1.1 OCC1CC=CC1 HR106689 [0,1,0,1,0,0|1,0,1]=4 1018 B7R1.1 OCC1CCCC1 HR132881 [0,1,0,1,0,0|1,0,0]=3 1019 B7R1.1 OCC1CCCN1 HR103019 [0,1,0,1,0,0|2,0,0]=4 1020 B7R1.1 OCC1CCCN1 HR127601 [0,1,0,1,0,0|2,0,0]=4 1021 B7R1.1 OCC1CCCN1 HR137906 [0,1,0,1,0,0|2,0,0]=4 1022 B7R1.1 OCC1CCCO1 HR7086 [0,1,0,1,0,0|1,0,0]=3 1023 B7R1.1 OCC1CCNC1 HR102864 [0,1,0,1,0,0|1,0,0]=3 1024 B7R1.1 OCC1CCNC1 HR103174 [0,1,0,1,0,0|1,0,0]=3 1025 B7R1.1 OCC1CCNC1 HR106887 [0,1,0,1,0,0|1,0,0]=3 1026 B7R1.1 OCC1CCNC1 HR120104 [0,1,0,1,0,0|1,0,0]=3 1027 B7R1.1 OCC1CCOC1 HR103184 [0,1,0,1,0,0|0,0,0]=2 1028 B7R1.1 OCC1CCOC1 HR114642 [0,1,0,1,0,0|0,0,0]=2 1029 B7R1.1 OCC1CCOC1 HR114966 [0,1,0,1,0,0|0,0,0]=2 1030 B7R1.1 OCC1COCO1 HR124575 [0,1,0,1,0,0|1,0,0]=3 1031 B7R1.1 OCC1OCCS1 APSA07208 [0,1,0,1,0,0|2,0,0]=4 1032 B7R1.1 ON=C1CCCC1 HR108538 [0,1,0,1,0,0|1,0,1]=4 1033 B7R1.2 CC1CCC(=O)O1 HR126256 [0,1,0,1,0,0|0,0,1]=3 1034 B7R1.2 CC1CCC(N)C1 HR109161 [0,1,0,1,0,0|2,0,0]=4 1035 B7R1.2 CC1COC(=O)O1 HR125363 [0,1,0,1,0,0|0,0,2]=4 1036 B7R1.2 CC1COC(=O)O1 HR128407 [0,1,0,1,0,0|0,0,2]=4 1037 B7R1.2 CC1COC(=O)O1 HR129273 [0,1,0,1,0,0|0,0,2]=4 1038 B7R1.2 CC1COC(C)O1 HR111400 [0,1,0,1,0,0|1,0,0]=3 1039 B7R1.2 CN1CCC(N)C1 HR114870 [0,1,0,1,0,0|2,0,0]=4 1040 B7R1.2 CN1CCC(O)C1 HR127095 [0,1,0,1,0,0|1,0,0]=3 1041 B7R1.2 CN1CCC(O)C1 HR138502 [0,1,0,1,0,0|1,0,0]=3 1042 B7R1.2 CN1CCC(O)C1 HR138762 [0,1,0,1,0,0|1,0,0]=3 1043 B7R1.2 NC1CCC(=O)C1 HR145995 [0,1,0,1,0,0|1,0,1]=4 1044 B7R1.2 NC1CCC(N)C1 HR146090 [0,1,0,1,0,0|2,0,0]=4 1045 B7R1.2 NC1CCC(N)C1 HR146091 [0,1,0,1,0,0|2,0,0]=4 1046 B7R1.2 NC1CCC(N)C1 HR146092 [0,1,0,1,0,0|2,0,0]=4 1047 B7R1.2 NC1CCC(O)C1 HR146093 [0,1,0,1,0,0|1,0,0]=3 1048 B7R1.2 NC1CCC(O)C1 HR146099 [0,1,0,1,0,0|1,0,0]=3 1049 B7R1.2 NC1CCC(O)C1 HR146100 [0,1,0,1,0,0|1,0,0]=3 1050 B7R1.2 NC1CCC(O)C1 HR146101 [0,1,0,1,0,0|1,0,0]=3 1051 B7R1.2 NC1CCC(O)C1 HR146102 [0,1,0,1,0,0|1,0,0]=3 1052 B7R1.2 NC1CCC(O)C1 HR146103 [0,1,0,1,0,0|1,0,0]=3 1053 B7R1.2 NC1CCC(O)C1 HR146104 [0,1,0,1,0,0|1,0,0]=3 1054 B7R1.2 NC1CCC(O)C1 HR146105 [0,1,0,1,0,0|1,0,0]=3 1055 B7R1.2 NC1CCC(O)C1 HR148648 [0,1,0,1,0,0|1,0,0]=3 1056 B7R1.2 NC1CCC(O)C1 HR30204 [0,1,0,1,0,0|1,0,0]=3 1057 B7R1.2 NC1COC(=O)C1 HR14757 [0,1,0,1,0,0|1,0,1]=4 1058 B7R1.2 NC1COC(=O)C1 HR14758 [0,1,0,1,0,0|1,0,1]=4 1059 B7R1.2 O=C1CC(O)CN1 HR138458 [0,1,0,1,0,0|0,0,2]=4 1060 B7R1.2 O=C1CC(O)CN1 HR138722 [0,1,0,1,0,0|0,0,2]=4 1061 B7R1.2 O=C1CC(O)CN1 HR145864 [0,1,0,1,0,0|0,0,2]=4 1062 B7R1.2 O=C1CC(O)CO1 HR126625 [0,1,0,1,0,0|0,0,1]=3 1063 B7R1.2 O=C1CC(O)CO1 HR127054 [0,1,0,1,0,0|0,0,1]=3 1064 B7R1.3 BrC1CCCCC1 HR130726 [0,1,0,1,0,0|2,0,0]=4 1065 B7R1.3 BrC1CCCOC1 HR120914 [0,1,0,1,0,0|1,0,0]=3 1066 B7R1.3 BrC1CCNCC1 HR9060 [0,1,0,1,0,0|2,0,0]=4 1067 B7R1.3 BrC1CCOCC1 HR116270 [0,1,0,1,0,0|1,0,0]=3 1068 B7R1.3 CC1CCCCN1 HR103733 [0,1,0,1,0,0|2,0,0]=4 1069 B7R1.3 CC1CCCCN1 HR128173 [0,1,0,1,0,0|2,0,0]=4 1070 B7R1.3 CC1CCCCN1 HR149767 [0,1,0,1,0,0|2,0,0]=4 1071 B7R1.3 CC1CCCCN1 ROXF00402 [0,1,0,1,0,0|2,0,0]=4 1072 B7R1.3 CC1CCCNC1 HR146011 [0,1,0,1,0,0|2,0,0]=4 1073 B7R1.3 CC1CNCCN1 HR127903 [0,1,0,1,0,0|2,0,0]=4 1074 B7R1.3 CC1CNCCN1 HR128397 [0,1,0,1,0,0|2,0,0]=4 1075 B7R1.3 CC1CNCCO1 HR108818 [0,1,0,1,0,0|1,0,0]=3 1076 B7R1.3 CC1CNCCO1 HR116772 [0,1,0,1,0,0|1,0,0]=3 1077 B7R1.3 CC1CNCCO1 HR145331 [0,1,0,1,0,0|1,0,0]=3 1078 B7R1.3 CC1CNCCO1 HR17028 [0,1,0,1,0,0|1,0,0]=3 1079 B7R1.3 CC1CNCCO1 HR17029 [0,1,0,1,0,0|1,0,0]=3 1080 B7R1.3 CC1COCCN1 HR104376 [0,1,0,1,0,0|1,0,0]=3 1081 B7R1.3 CC1COCCN1 HR113604 [0,1,0,1,0,0|1,0,0]=3 1082 B7R1.3 CC1COCCN1 HR11363 [0,1,0,1,0,0|1,0,0]=3 1083 B7R1.3 CC1COCCN1 HR17226 [0,1,0,1,0,0|1,0,0]=3 1084 B7R1.3 CC1COCCN1 HR17244 [0,1,0,1,0,0|1,0,0]=3 1085 B7R1.3 CC1OCCCO1 HR144647 [0,1,0,1,0,0|1,0,0]=3 1086 B7R1.3 CN1CCOCC1 HR122939 [0,1,0,1,0,0|2,0,0]=4 1087 B7R1.3 ClC1CCCCC1 HR135558 [0,1,0,1,0,0|2,0,0]=4 1088 B7R1.3 ClC1CCCOC1 HR146388 [0,1,0,1,0,0|1,0,0]=3 1089 B7R1.3 ClC1CCNCC1 HR101047 [0,1,0,1,0,0|2,0,0]=4 1090 B7R1.3 ClC1CCNCC1 HR111254 [0,1,0,1,0,0|2,0,0]=4 1091 B7R1.3 ClC1CCOCC1 EDCQ03603 [0,1,0,1,0,0|1,0,0]=3 1092 B7R1.3 FC1CCCNC1 HR105776 [0,1,0,1,0,0|2,0,0]=4 1093 B7R1.3 FC1CCCNC1 HR151296 [0,1,0,1,0,0|2,0,0]=4 1094 B7R1.3 FC1CCNCC1 HR103784 [0,1,0,1,0,0|2,0,0]=4 1095 B7R1.3 FC1CCNCC1 HR111399 [0,1,0,1,0,0|2,0,0]=4 1096 B7R1.3 IC1CCOCC1 HR108494 [0,1,0,1,0,0|1,0,0]=3 1097 B7R1.3 NC1CCCCC1 HR124720 [0,1,0,1,0,0|2,0,0]=4 1098 B7R1.3 NC1CCCCC1 HR128823 [0,1,0,1,0,0|2,0,0]=4 1099 B7R1.3 NC1CCCCC1 HR144083 [0,1,0,1,0,0|2,0,0]=4 1100 B7R1.3 NC1CCCCC1 HR145293 [0,1,0,1,0,0|2,0,0]=4 1101 B7R1.3 NC1CCCCN1 HR113207 [0,1,0,1,0,0|2,0,0]=4 1102 B7R1.3 NC1CCCNC1 HR112662 [0,1,0,1,0,0|2,0,0]=4 1103 B7R1.3 NC1CCCNC1 HR11476 [0,1,0,1,0,0|2,0,0]=4 1104 B7R1.3 NC1CCCNC1 HR120946 [0,1,0,1,0,0|2,0,0]=4 1105 B7R1.3 NC1CCCNC1 HR134664 [0,1,0,1,0,0|2,0,0]=4 1106 B7R1.3 NC1CCCNC1 HR142505 [0,1,0,1,0,0|2,0,0]=4 1107 B7R1.3 NC1CCCNC1 HR3013 [0,1,0,1,0,0|2,0,0]=4 1108 B7R1.3 NC1CCCOC1 HR101943 [0,1,0,1,0,0|1,0,0]=3 1109 B7R1.3 NC1CCCOC1 HR105701 [0,1,0,1,0,0|1,0,0]=3 1110 B7R1.3 NC1CCCOC1 HR114985 [0,1,0,1,0,0|1,0,0]=3 1111 B7R1.3 NC1CCCOC1 HR121806 [0,1,0,1,0,0|1,0,0]=3 1112 B7R1.3 NC1CCNCC1 HR117691 [0,1,0,1,0,0|2,0,0]=4 1113 B7R1.3 NC1CCNCC1 HR127718 [0,1,0,1,0,0|2,0,0]=4 1114 B7R1.3 NC1CCOCC1 HR113158 [0,1,0,1,0,0|1,0,0]=3 1115 B7R1.3 NC1CCOCC1 HR133397 [0,1,0,1,0,0|1,0,0]=3 1116 B7R1.3 NC1CCOCC1 HR9558 [0,1,0,1,0,0|1,0,0]=3 1117 B7R1.3 NC1CNCCN1 HR114609 [0,1,0,1,0,0|2,0,0]=4 1118 B7R1.3 NN1CCOCC1 HR130001 [0,1,0,1,0,0|2,0,0]=4 1119 B7R1.3 O=C1CCCOC1 HR104744 [0,1,0,1,0,0|0,0,2]=4 1120 B7R1.3 O=C1CCOCC1 HR9557 [0,1,0,1,0,0|0,0,2]=4 1121 B7R1.3 O=C1COCCN1 HR115059 [0,1,0,1,0,0|0,0,2]=4 1122 B7R1.3 O=C1COCCO1 HR127683 [0,1,0,1,0,0|0,0,2]=4 1123 B7R1.3 OC1C=CCCC1 HR108292 [0,1,0,1,0,0|1,0,1]=4 1124 B7R1.3 OC1CCCCC1 HR122340 [0,1,0,1,0,0|1,0,0]=3 1125 B7R1.3 OC1CCCNC1 HR11310 [0,1,0,1,0,0|1,0,0]=3 1126 B7R1.3 OC1CCCNC1 HR122384 [0,1,0,1,0,0|1,0,0]=3 1127 B7R1.3 OC1CCCNC1 HR128253 [0,1,0,1,0,0|1,0,0]=3 1128 B7R1.3 OC1CCCNC1 HR138469 [0,1,0,1,0,0|1,0,0]=3 1129 B7R1.3 OC1CCCOC1 HR105061 [0,1,0,1,0,0|0,0,0]=2 1130 B7R1.3 OC1CCNCC1 ACSA02513 [0,1,0,1,0,0|1,0,0]=3 1131 B7R1.3 OC1CCNCC1 HR132750 [0,1,0,1,0,0|1,0,0]=3 1132 B7R1.3 OC1CCOCC1 HR10170 [0,1,0,1,0,0|0,0,0]=2 1133 B7R1.3 OC1CCSCC1 HR117672 [0,1,0,1,0,0|0,1,0]=3 1134 B7R1.3 OC1COCOC1 HR132891 [0,1,0,1,0,0|0,0,0]=2 1135 B7R1.3 ON1CCCCC1 HR106287 [0,1,0,1,0,0|2,0,0]=4 1136 B7R1.3 PC1CCCCC1 HR119652 [0,1,0,1,0,0|2,0,0]=4 1137 B7R1.3 SC1CCCCC1 HR119141 [0,1,0,1,0,0|1,1,0]=4 1138 B7R1.3 SC1CCOCC1 HR143968 [0,1,0,1,0,0|0,1,0]=3 1139 B7R1.4 CC1=C(S)CCO1 HR124755 [0,1,0,1,0,0|0,1,1]=4 1140 B7R1.4 CC1CCCC1=O HR112329 [0,1,0,1,0,0|1,0,1]=4 1141 B7R1.4 CC1CCNC1=O HR103871 [0,1,0,1,0,0|1,0,1]=4 1142 B7R1.4 CC1OCCC1=O HR131028 [0,1,0,1,0,0|0,0,2]=4 1143 B7R1.4 CC1OCCC1S HR131287 [0,1,0,1,0,0|0,1,0]=3 1144 B7R1.4 CN1CCOC1=O HR132150 [0,1,0,1,0,0|1,0,1]=4 1145 B7R1.4 ClC1CCOC1Cl HR130865 [0,1,0,1,0,0|1,0,0]=3 1146 B7R1.4 NC1CCCC1N HR109799 [0,1,0,1,0,0|2,0,0]=4 1147 B7R1.4 NC1CCCC1O HR123573 [0,1,0,1,0,0|1,0,0]=3 1148 B7R1.4 NC1CCCC1O HR126055 [0,1,0,1,0,0|1,0,0]=3 1149 B7R1.4 NC1CCCC1O HR126723 [0,1,0,1,0,0|1,0,0]=3 1150 B7R1.4 NC1CCCC1O HR135381 [0,1,0,1,0,0|1,0,0]=3 1151 B7R1.4 NC1CCCC1O HR142701 [0,1,0,1,0,0|1,0,0]=3 1152 B7R1.4 NC1CCOC1=O HR103069 [0,1,0,1,0,0|1,0,1]=4 1153 B7R1.4 NC1CCOC1=O HR134625 [0,1,0,1,0,0|1,0,1]=4 1154 B7R1.4 NC1CCOC1=O HR137954 [0,1,0,1,0,0|1,0,1]=4 1155 B7R1.4 NC1CCOC1=O HR146738 [0,1,0,1,0,0|1,0,1]=4 1156 B7R1.4 NC1CNCC1O HR146002 [0,1,0,1,0,0|1,0,0]=3 1157 B7R1.4 NC1COCC1O HR101952 [0,1,0,1,0,0|0,0,0]=2 1158 B7R1.4 O=C1NCCC1O HR102172 [0,1,0,1,0,0|1,0,1]=4 1159 B7R1.4 O=C1NCCC1O HR113273 [0,1,0,1,0,0|1,0,1]=4 1160 B7R1.4 O=C1NCCC1O HR113406 [0,1,0,1,0,0|1,0,1]=4 1161 B7R1.4 O=C1NCCC1O HR147016 [0,1,0,1,0,0|1,0,1]=4 1162 B7R1.4 O=C1OCCC1Br HR10714 [0,1,0,1,0,0|1,0,1]=4 1163 B7R1.4 OC1CCCC1O HR141990 [0,1,0,1,0,0|1,0,0]=3 1164 B7R1.4 OC1CCCC1O HR144744 [0,1,0,1,0,0|1,0,0]=3 1165 B7R1.4 OC1CNCC1F HR150226 [0,1,0,1,0,0|1,0,0]=3 1166 B7R1.4 OC1CNCC1O HR102451 [0,1,0,1,0,0|1,0,0]=3 1167 B7R1.4 OC1CNCC1O HR102769 [0,1,0,1,0,0|1,0,0]=3 1168 B7R1.4 OC1CNCC1O HR135572 [0,1,0,1,0,0|1,0,0]=3 1169 B7R1.6 OCCC1COC1 HR102073 [0,1,0,1,0,0|0,0,0]=2 1170 B7R1.6 OCCN1CCC1 HR33950 [0,1,0,1,0,0|2,0,0]=4 1171 B7R1.10 COC1CC(=O)C1 HR114228 [0,1,0,1,0,0|0,0,2]=4 1172 B7R1.10 O=C1CC(CO)C1 HR103458 [0,1,0,1,0,0|0,0,2]=4 1173 B7R1.22 COC(=O)C1CO1 HR129937 [0,1,0,1,0,0|0,0,2]=4 1174 B7R1.25 CC1(CO)COC1 CRCQ00501 [0,1,0,1,0,0|2,0,0]=4 1175 B7R1.25 NCC1(O)CCC1 HR148247 [0,1,0,1,0,0|1,0,0]=3 1176 B7R1.16 CC1(C)CC(Br)C1 HR146351 [0,1,0,1,0,0|2,0,0]=4 1177 B7R1.16 NC1CC(F)(F)C1 HR114792 [0,1,0,1,0,0|2,0,0]=4 1178 B7R1.20 O=C(O)CC1CC1 HR136745 [0,1,0,1,0,0|1,0,1]=4 1179 B7R1.18 CC(O)C1CCC1 HR147156 [0,1,0,1,0,0|1,0,0]=3 1180 B7R1.18 O=C(O)C1CCO1 HR109624 [0,1,0,1,0,0|1,0,1]=4 1181 B7R1.18 O=C(O)C1COC1 HR111082 [0,1,0,1,0,0|1,0,1]=4 1182 B7R1.23 CC1(C)CC1C#N HR138019 [0,1,0,1,0,0|2,0,0]=4 1183 B7R1.23 OCC1CC1(F)F HR118436 [0,1,0,1,0,0|1,0,0]=3 1184 B7R1.7 C=CCCC1CO1 HR130217 [0,1,0,1,0,0|1,0,0]=3 1185 B7R1.7 C=CCCC1CO1 HR141536 [0,1,0,1,0,0|1,0,0]=3 1186 B7R1.14 CC1(C)CCCN1 HR146007 [0,1,0,1,0,0|2,0,0]=4 1187 B7R1.14 CC1(C)CCCN1 HR148431 [0,1,0,1,0,0|2,0,0]=4 1188 B7R1.14 CC1(C)CCNC1 HR114052 [0,1,0,1,0,0|2,0,0]=4 1189 B7R1.14 CC1(C)COCN1 HR131371 [0,1,0,1,0,0|2,0,0]=4 1190 B7R1.14 CC1(C)NCCS1 HR123441 [0,1,0,1,0,0|1,1,0]=4 1191 B7R1.14 CC1(O)CCCC1 HR125170 [0,1,0,1,0,0|1,0,0]=3 1192 B7R1.14 CC1(O)CCNC1 HR149014 [0,1,0,1,0,0|1,0,0]=3 1193 B7R1.14 FC1(F)CCNC1 HR110447 [0,1,0,1,0,0|2,0,0]=4 1194 B7R1.14 FC1(F)CCNC1 HR150471 [0,1,0,1,0,0|2,0,0]=4 1195 B7R1.26 CC(C)(O)C1CC1 HR119344 [0,1,0,1,0,0|1,0,0]=3 1196 B7R1.26 FC(F)(F)C1CO1 HR131952 [0,1,0,1,0,0|2,0,0]=4 1197 B7R2.13 C1CC2OC2C1 HR128675 [0,0,0,2,0,0|1,0,0]=3 1198 B7R2.13 C1NCC2CC12 HR146000 [0,0,0,2,0,0|2,0,0]=4 1199 B7R2.13 C1OCC2OC12 HR125664 [0,0,0,2,0,0|0,0,0]=2 1200 B7R2.5 NC12CC(C1)C2 HR110525 [0,0,0,2,0,0|2,0,0]=4