0 B5R0.1 C=CC[C@H](C)O OR304051 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=CNC(C)=O OR938950 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C=COC(=O)Cl OR3129 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC#CC(=O)O OR315221 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.1 CC(=O)NCO OR61255 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CC(C)=CCBr OR46013 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(C)=CCCl OR22167 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(C)CCI OR8220 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(C)CCN OR12816 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(C)CCO OR460021 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(O)CC#N OR2847 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 CCCB(O)O OR8415 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CCCC(=O)O OR6005 [0,0,0,0,0,0|0,0,0]=0 13 B5R0.1 CCCC(=O)[O-] OR8783 [0,0,0,0,0,0|0,0,1]=1 14 B5R0.1 CCCC(C)N OR10075 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CCNC(N)=O OR42229 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 CCOC(=S)[S-] OR59885 [0,0,0,0,0,0|1,2,0]=3 17 B5R0.1 CN(C)CCN OR6514 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 COCC(=O)Cl OR40393 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 CSCC(=O)O OR4573 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 C[C@@H](O)CCO OR2223 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 ClCC=C(Cl)Cl OR40579 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 N#CCC(N)=S OR29773 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.1 NC(=O)CCBr OR322315 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 NC(=O)CCCl OR26786 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 NCCC(=O)O OR5225 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.1 O=C(Cl)CCCl OR11057 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 O=C(O)CCBr OR8993 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.1 O=C(O)CCO OR59874 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.1 O=C(O)CCO OR70031 [0,0,0,0,0,0|1,0,0]=1 30 B5R0.1 O=C(O)\C=C\Cl OR2048 [0,0,0,0,0,0|1,0,2]=3 31 B4R0.1 C#CC(=O)O OR30972 [1,0,0,0,0,0|0,0,2]=3 32 B4R0.1 C#CC(C)=O OR7548 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=C(C)CBr OR17610 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 C=C(C)CC OR14507 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 C=C(C)CCl OR16423 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 C=C(C)CN OR10897 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 C=C(C)CN OR59958 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C=C(C)CO OR16426 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C=C(C)OC OR17619 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C=C(Cl)CCl OR5736 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C=C(Cl)CO OR9536 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(=O)C=O OR53061 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(=O)C=O OR5752 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(=O)CO OR17702 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(=O)NO OR6375T [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CCB(O)O OR8874 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CCC(=N)N OR200136 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CCC(=O)[O-] OR70110 [1,0,0,0,0,0|0,0,1]=2 49 B4R0.1 CCC(C)Br OR4335 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CCC(C)Cl OR460003 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CCC(C)I OR5340 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 CC[C@@H](C)N OR59999 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CC[C@@H](C)O OR304038 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 CC[C@H](C)N OR60000 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CC[C@H](C)O OR4619 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 COC(N)=O OR46510 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 CSC(=N)N OR25052 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 C[C@@H](O)CN OR304058 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C[C@H](O)CN OR30797 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 N=C(N)CCl OR3921 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 NC(=O)CBr OR6592 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 NC(=O)CCl OR12801 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 NC(=O)CI OR59962 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 NC(=O)CO OR21888 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 NC(=O)CS OR24255 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 NC(=O)NO OR9108 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 O=C(Cl)CBr OR54475 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 O=C(O)CBr OR6366 [1,0,0,0,0,0|1,0,0]=2 69 B4R0.1 O=C(O)CI OR322006 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 O=C(O)CO OR13191 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 O=C([O-])CS OR30627 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 O=CC(=O)O OR52099 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 O=S([O-])CO OR922468 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 O=[N+]([O-])CBr OR3067 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 BrCCCBr OR0972 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 C#CCCC OR5512 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 C#CCCO OR1952 [1,0,0,0,0,0|0,0,3]=4 78 B4R0.2 C#COCC OR4769 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 C=CCCBr OR8033 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 C=CCCC OR5326 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 C=CCNC OR3619 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 C=CC[Mg]Br OR320140 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 C=CC[Mg]Br OR320141 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.2 C=CC[Mg]Cl OR320143 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.2 C=CC[Mg]Cl OR320144 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.2 CC#CCO OR14505 [1,0,0,0,0,0|0,0,3]=4 87 B4R0.2 CC=CCCl OR5497 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 CC=CCO OR18372 [1,0,0,0,0,0|0,0,3]=4 89 B4R0.2 CCCC#N OR9437 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.2 CCCCBr OR460056 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.2 CCCCI OR3174 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.2 CCOC=O OR28814 [1,0,0,0,0,0|1,0,0]=2 93 B4R0.2 CNCCN OR6516 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 COCC#N OR5269 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 COCCBr OR11137 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.2 COCCN OR59868 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.2 CSCCN OR4873 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 C\C=C\CCl OR51978 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 ClCCCCl OR0973 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 ClCCCI OR2939 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.2 ICCCI OR4510 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 N#CCCBr OR322150 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 N#CCCO OR3049 [1,0,0,0,0,0|1,0,2]=4 104 B4R0.2 NCCCBr OR322151 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.2 NNCCO OR9124 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.2 OCCCBr OR0978 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.2 OCCCCl OR0977 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.1 C#CC(=O)OCC OR28819 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 CCC(=O)CC#N OR61297 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.1 CCCC(=N)NO OR12351 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.1 CCCC(C)C=O OR40018 [0,1,0,0,0,0|1,0,1]=3 112 B6R0.1 CCNC(=O)CBr OR40485 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.1 CCOC(=O)C#N OR17890 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.1 CCOC(=O)C=O OR59968 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.1 CCOC(=O)CN OR43634 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.1 CCOC(=O)CS OR17516 [0,1,0,0,0,0|1,1,0]=3 117 B6R0.1 CCOC(=O)NN OR25885 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.1 CCOC(=O)NO OR9111 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.1 CNC(=O)CC#N OR21454 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 CNC(=O)CCN OR16480 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.1 CNC(=O)CCN OR51734 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.1 CNCC(=O)OC OR26803 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.1 CNCC(O)CO OR13648 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.1 COC(=O)CC#N OR13190 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.1 COC(=O)CCS OR28780 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.1 COC(=O)CSC OR9387 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.1 COCC(O)CO OR30517 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.1 N#CCC(=O)NN OR24063 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.1 OCC[C@@H](O)CO OR4602 [0,1,0,0,0,0|1,0,2]=4 130 B6R0.1 OCC[C@H](O)CO OR5242 [0,1,0,0,0,0|1,0,2]=4 131 B6R0.1 [C-]#[N+]CC(=O)OC OR54541 [0,1,0,0,0,0|1,0,1]=3 132 B6R0.2 CC(=O)C=C(C)N OR1506 [0,1,0,0,0,0|1,0,2]=4 133 B6R0.2 CC(=O)CC(C)=O OR16430 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.2 CC(=O)CC(C)C OR61047 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.2 CC(C)=CC(=O)Cl OR29360 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.2 CC(C)=CC(=O)O OR46069 [0,1,0,0,0,0|0,0,2]=3 138 B6R0.2 CC(C)CB(O)O OR14160 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.2 CC(C)CC(=O)O OR2260 [0,1,0,0,0,0|0,0,0]=1 140 B6R0.2 CC(C)CC(N)=O OR22499 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.2 CC(O)CC(C)O OR10041 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.2 CN(C)CC(=O)O OR45130 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.2 NC(=O)CC(N)=O OR5304 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.2 NC(=O)C[N+](=O)[O-] OR13268 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.2 O=C(Cl)CC(=O)Cl OR46548 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.2 O=C(O)CC(=O)O OR0786 [0,1,0,0,0,0|1,0,1]=3 148 B6R0.3 CC(=O)C(=O)CBr OR46042 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.3 CC=C(C)C(C)=O OR0641 [0,1,0,0,0,0|1,0,2]=4 150 B6R0.3 CCC(N)C(=O)O OR9986 [0,1,0,0,0,0|0,0,0]=1 151 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [0,1,0,0,0,0|0,0,0]=1 152 B6R0.3 CC[C@H](C)C(=O)O OR315294 [0,1,0,0,0,0|0,0,0]=1 153 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [0,1,0,0,0,0|0,0,0]=1 154 B6R0.3 CC[C@H](N)C(=O)O OR01636 [0,1,0,0,0,0|0,0,0]=1 155 B6R0.3 CC[C@H](N)C(N)=O OR46608 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.3 CNC(=O)C(=O)O OR016302 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.3 CNC(C)C(=O)O OR930477 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [0,1,0,0,0,0|1,0,0]=2 159 B6R0.3 COC(=O)C(=O)[O-] OR303344 [0,1,0,0,0,0|1,0,2]=4 160 B6R0.3 CON(C)C(C)=O OR46610 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.3 C\C=C(/C)C(=O)Cl OR55081 [0,1,0,0,0,0|1,0,2]=4 162 B6R0.3 C\C=C(\C)C(=O)O OR28647 [0,1,0,0,0,0|0,0,2]=3 163 B6R0.3 N#CC(N)C(N)=O OR13271 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.3 NCC(N)C(=O)O OR42215 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.3 NCC(N)C(=O)O OR5494 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.3 NCC(O)C(=O)O OR322969 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.3 O=C(O)C(=O)CBr OR10838 [0,1,0,0,0,0|1,0,1]=3 169 B6R0.3 O=C(O)C(=O)CBr OR8799 [0,1,0,0,0,0|1,0,1]=3 170 B6R0.3 O=C(O)C(Br)CBr OR4887 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.4 C#CCCC(=O)O OR5526 [0,1,0,0,0,0|0,0,1]=2 172 B6R0.4 C#CCNC(N)=O OR23964 [0,1,0,0,0,0|1,0,2]=4 173 B6R0.4 C=CCC[C@@H](C)O OR304052 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.4 CC(=O)CCCCl OR10086 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.4 CC(=O)NCCCl OR55006 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.4 CC(=O)SCC#N OR24381 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.4 CC(C)=CCCBr OR3008 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.4 CCC#CC(=O)O OR70066 [0,1,0,0,0,0|0,0,1]=2 179 B6R0.4 CCC=CC(=O)O OR6566 [0,1,0,0,0,0|0,0,1]=2 180 B6R0.4 CCCCB(O)O OR10619 [0,1,0,0,0,0|1,0,1]=3 181 B6R0.4 CCCCC(C)=O OR10020 [0,1,0,0,0,0|1,0,0]=2 182 B6R0.4 CCCC[C@H](C)O OR304042 [0,1,0,0,0,0|1,0,1]=3 183 B6R0.4 CCCOC(C)=O OR5312 [0,1,0,0,0,0|1,0,0]=2 184 B6R0.4 CCOCC(=O)O OR6531 [0,1,0,0,0,0|0,0,0]=1 185 B6R0.4 CN(C)CCCCl OR0910 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.4 CN(C)CCCN OR54483 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.4 CNCCC(=O)O OR301194 [0,1,0,0,0,0|0,0,0]=1 188 B6R0.4 CNCCC(N)=O OR17506 [0,1,0,0,0,0|1,0,0]=2 189 B6R0.4 CO\C=C\C(C)=O OR52529 [0,1,0,0,0,0|1,0,2]=4 190 B6R0.4 NC(=O)NCCO OR17003 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.4 NCCCC(=O)O OR01972 [0,1,0,0,0,0|0,0,0]=1 192 B6R0.4 O=C(Cl)CCCCl OR5355 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.4 O=C(O)CCCBr OR4284 [0,1,0,0,0,0|0,0,0]=1 194 B6R0.4 O=C(O)\C=C\CBr OR313099 [0,1,0,0,0,0|0,0,2]=3 195 B6R0.5 CC(C)(O)CCN OR60244 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.5 CC(C)(O)CCO OR16608 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.5 CCCC(C)(C)N OR30986 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.5 CCCS(=O)(=O)Cl OR19492 [0,1,0,0,0,0|1,0,1]=3 199 B6R0.5 CCCS(N)(=O)=O OR11393 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.5 CCNS(=O)(=O)Cl OR346218 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.5 CS(=O)(=O)CCBr OR929569 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.5 CS(=O)(=O)CCN OR12674 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.5 CSCS(C)(=O)=O OR26323 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.5 NCCS(N)(=O)=O OR70098 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.5 O=P(O)(O)CCCl OR10677 [0,1,0,0,0,0|2,0,0]=3 206 B6R1.2 BrC1=CCCC1 OR59361 [0,0,0,1,0,0|2,0,0]=3 207 B6R1.2 BrC1CCCC1 OR10098 [0,0,0,1,0,0|2,0,1]=4 208 B6R1.2 CC1=NCCO1 OR52090 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.2 CC1CCCN1 OR30527 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.2 CC1CCCO1 OR42160 [0,0,0,1,0,0|1,0,1]=3 211 B6R1.2 C[C@@H]1CCCN1 OR15684 [0,0,0,1,0,0|2,0,1]=4 212 B6R1.2 C[C@@H]1CCCN1 OR18417 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.2 C[C@@H]1CCCN1 OR4617 [0,0,0,1,0,0|2,0,1]=4 214 B6R1.2 C[C@H]1CCCN1 OR460046 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.2 C[C@H]1CCCN1 OR4618 [0,0,0,1,0,0|2,0,1]=4 216 B6R1.2 ClC1CCCC1 OR10099 [0,0,0,1,0,0|2,0,1]=4 217 B6R1.2 NC1=NCCS1 OR3199 [0,0,0,1,0,0|2,1,0]=4 218 B6R1.2 NC1CCCC1 OR10097 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.2 O=C1C=CCC1 OR9084 [0,0,0,1,0,0|1,0,1]=3 220 B6R1.2 O=C1C=CCO1 OR2878 [0,0,0,1,0,0|0,0,2]=3 221 B6R1.2 O=C1CC=CC1 OR313063 [0,0,0,1,0,0|1,0,2]=4 222 B6R1.2 O=C1CCCC1 OR10095 [0,0,0,1,0,0|1,0,0]=2 223 B6R1.2 O=C1CCNC1 OR301124 [0,0,0,1,0,0|2,0,0]=3 224 B6R1.2 O=C1CCNC1 OR61343 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.2 O=C1CCOC1 OR30821 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.2 O=C1CCSC1 OR5506 [0,0,0,1,0,0|2,0,0]=3 227 B6R1.2 OC1CCCC1 OR10094 [0,0,0,1,0,0|1,0,1]=3 228 B6R1.2 OC1CCNC1 OR9068 [0,0,0,1,0,0|2,0,1]=4 229 B6R1.2 O[C@@H]1CCNC1 OR15681 [0,0,0,1,0,0|2,0,1]=4 230 B6R1.2 O[C@@H]1CCNC1 OR4628 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.2 O[C@@H]1CCOC1 OR4601 [0,0,0,1,0,0|2,0,1]=4 232 B6R1.2 O[C@H]1CCNC1 OR15682 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.2 O[C@H]1CCNC1 OR4627 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.2 O[C@H]1CCOC1 OR4603 [0,0,0,1,0,0|2,0,1]=4 235 B6R1.2 S=C1CCCN1 OR22113 [0,0,0,1,0,0|1,1,0]=3 236 B6R1.2 S=C1NCCO1 OR28382 [0,0,0,1,0,0|1,1,0]=3 237 B6R1.5 CN1CC(O)C1 OR308027 [0,0,0,1,0,0|2,0,1]=4 238 B6R1.5 CN1CC(O)C1 OR317154 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.5 NC1CC(=O)C1 OR308095 [0,0,0,1,0,0|2,0,0]=3 240 B6R1.5 NC1CC(O)C1 OR317063 [0,0,0,1,0,0|2,0,1]=4 241 B6R1.5 N[C@H]1C[C@@H](O)C1 OR308097 [0,0,0,1,0,0|2,0,1]=4 242 B6R1.5 N[C@H]1C[C@H](O)C1 OR308098 [0,0,0,1,0,0|2,0,1]=4 243 B6R1.10 C[Si]1(C)CCC1 OR52271 [0,0,0,1,0,0|2,1,0]=4 244 B6R1.11 CC(=O)C1CC1 OR10100 [0,0,0,1,0,0|1,0,0]=2 245 B6R1.11 CC(=O)C1CO1 OR01831 [0,0,0,1,0,0|2,0,0]=3 246 B6R1.11 CC(N)C1CC1 OR7051 [0,0,0,1,0,0|2,0,1]=4 247 B6R1.11 CC(O)C1CC1 OR54516 [0,0,0,1,0,0|1,0,1]=3 248 B6R1.11 N=C(N)C1CC1 OR27201 [0,0,0,1,0,0|2,0,0]=3 249 B6R1.11 NC(=O)C1CC1 OR18286 [0,0,0,1,0,0|1,0,0]=2 250 B6R1.11 O=C(Cl)C1CC1 OR17255 [0,0,0,1,0,0|1,0,0]=2 251 B6R1.11 O=C(O)C1CC1 OR5295 [0,0,0,1,0,0|0,0,0]=1 252 B6R1.11 OB(O)C1CC1 OR6228 [0,0,0,1,0,0|1,0,1]=3 253 B3R0.1 BrCCI OR460045 [2,0,0,0,0,0|2,0,0]=4 254 B3R0.1 C#CCC OR19587 [2,0,0,0,0,0|0,0,2]=4 255 B3R0.1 C=CCBr OR16937 [2,0,0,0,0,0|1,0,1]=4 256 B3R0.1 C=CCC OR8591 [2,0,0,0,0,0|0,0,1]=3 257 B3R0.1 C=CCCl OR3848 [2,0,0,0,0,0|1,0,1]=4 258 B3R0.1 C=CCI OR460034 [2,0,0,0,0,0|1,0,1]=4 259 B3R0.1 CC=CC OR61316 [2,0,0,0,0,0|1,0,1]=4 260 B3R0.1 CC=CCl OR40493 [2,0,0,0,0,0|1,0,1]=4 261 B3R0.1 CCC=O OR17251 [2,0,0,0,0,0|0,0,0]=2 262 B3R0.1 CCCC OR8385 [2,0,0,0,0,0|0,0,1]=3 263 B3R0.1 CCCCl OR460042 [2,0,0,0,0,0|1,0,0]=3 264 B3R0.1 CCCI OR4541 [2,0,0,0,0,0|1,0,0]=3 265 B3R0.1 CCCN OR15743 [2,0,0,0,0,0|1,0,0]=3 266 B3R0.1 CCNC OR30626 [2,0,0,0,0,0|1,0,1]=4 267 B3R0.1 CCNN OR939620 [2,0,0,0,0,0|2,0,0]=4 268 B3R0.1 CC[Mg]Br OR320091 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.1 CC[Mg]Br OR320094 [2,0,0,0,0,0|2,0,0]=4 270 B3R0.1 COCBr OR11138 [2,0,0,0,0,0|2,0,0]=4 271 B3R0.1 CSCCl OR39998 [2,0,0,0,0,0|2,0,0]=4 272 B3R0.1 C\C=C/Cl OR4546 [2,0,0,0,0,0|1,0,1]=4 273 B3R0.1 C\C=C\C OR4472 [2,0,0,0,0,0|1,0,1]=4 274 B3R0.1 C\C=C\Cl OR6595 [2,0,0,0,0,0|1,0,1]=4 275 B3R0.1 ClCCI OR51875 [2,0,0,0,0,0|2,0,0]=4 276 B3R0.1 ICCI OR2622 [2,0,0,0,0,0|2,0,0]=4 277 B3R0.1 NCCBr OR1160 [2,0,0,0,0,0|2,0,0]=4 278 B3R0.1 NCCS OR9920T [2,0,0,0,0,0|1,1,0]=4 279 B3R0.1 OCCBr OR30640 [2,0,0,0,0,0|1,0,0]=3 280 B3R0.2 C=C(C)Br OR55140 [2,0,0,0,0,0|2,0,0]=4 281 B3R0.2 C=C(C)C OR40492 [2,0,0,0,0,0|2,0,0]=4 282 B3R0.2 C=C(C)Cl OR1897 [2,0,0,0,0,0|2,0,0]=4 283 B3R0.2 CB(O)O OR3322 [2,0,0,0,0,0|1,0,1]=4 284 B3R0.2 CC(=N)N OR30204 [2,0,0,0,0,0|2,0,0]=4 285 B3R0.2 CC(=O)Br OR1943 [2,0,0,0,0,0|1,0,0]=3 286 B3R0.2 CC(=O)O OR28877 [2,0,0,0,0,0|0,0,0]=2 287 B3R0.2 CC(=O)O OR40340 [2,0,0,0,0,0|0,0,0]=2 288 B3R0.2 CC(=O)[O-] OR11032 [2,0,0,0,0,0|0,0,1]=3 289 B3R0.2 CC(=O)[S-] OR59966 [2,0,0,0,0,0|0,1,0]=3 290 B3R0.2 CC(N)=O OR16407 [2,0,0,0,0,0|1,0,0]=3 291 B3R0.2 CC(N)=S OR28604 [2,0,0,0,0,0|1,1,0]=4 292 B3R0.2 CS(=O)[O-] OR42101 [2,0,0,0,0,0|1,0,1]=4 293 B3R0.2 CS(C)=O OR61029 [2,0,0,0,0,0|2,0,0]=4 294 B3R0.2 C[13C](=O)O OR60238 [2,0,0,0,0,0|0,0,0]=2 295 B3R0.2 NC(N)=O OR59884 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.3 C#CC(=O)OC OR0649 [1,1,0,0,0,0|0,0,2]=4 297 B5R0.3 C=C(CO)CO OR54371 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.3 C=CC(=O)CC OR70148 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.3 C=CC(=O)OC OR322452 [1,1,0,0,0,0|0,0,2]=4 300 B5R0.3 CCC(=O)CBr OR1465 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.3 CCC(C)OC OR14508 [1,1,0,0,0,0|1,0,1]=4 302 B5R0.3 CCC(N)CO OR16670 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.3 CCC(O)CC OR10042 [1,1,0,0,0,0|1,0,1]=4 304 B5R0.3 CCC(O)CN OR1554 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.3 CC[C@@H](N)CO OR5871 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.3 CC[C@@H](O)CO OR52088 [1,1,0,0,0,0|0,0,2]=4 307 B5R0.3 CC[C@H](N)CO OR5854 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.3 COC(=O)CN OR52169 [1,1,0,0,0,0|1,0,0]=3 309 B5R0.3 COC(=O)CO OR21875 [1,1,0,0,0,0|1,0,0]=3 310 B5R0.3 COC(=O)CS OR62074 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.3 O=C(CBr)CBr OR16995 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.4 CCS(N)(=O)=O OR51744 [1,1,0,0,0,0|1,0,1]=4 313 B5R0.5 C=C(C)C(=O)O OR54367 [1,1,0,0,0,0|0,0,1]=3 314 B5R0.5 C=C(C)C(C)C OR46606 [1,1,0,0,0,0|2,0,0]=4 315 B5R0.5 CC(=O)C(=O)O OR315034 [1,1,0,0,0,0|0,0,1]=3 316 B5R0.5 CC(=O)C(C)=O OR5248 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.5 CC(=O)C(C)Br OR1466 [1,1,0,0,0,0|1,0,0]=3 318 B5R0.5 CC(=O)C(C)C OR5350 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.5 CC(Br)C(=O)Cl OR40726 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.5 CC(Br)C(N)=O OR24705 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.5 CC(C)B(O)O OR8880 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.5 CC(C)C(=N)N OR27276 [1,1,0,0,0,0|2,0,0]=4 323 B5R0.5 CC(C)C(=O)Cl OR10005 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.5 CC(C)C(C)O OR10026 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.5 CN(C)C(=O)Cl OR51817 [1,1,0,0,0,0|2,0,0]=4 326 B5R0.5 CN(C)C(N)=O OR48247 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [1,1,0,0,0,0|0,0,0]=2 328 B5R0.5 C[C@@H](O)C(=O)O OR960721 [1,1,0,0,0,0|0,0,0]=2 329 B5R0.5 C[C@@H](O)C(N)=O OR18079 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.5 C[C@@H](O)[C@@H](C)O OR15918 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [1,1,0,0,0,0|0,0,0]=2 332 B5R0.5 C[C@H](N)C(N)=O OR22615 [1,1,0,0,0,0|1,0,0]=3 333 B5R0.5 C[C@H](O)[C@H](C)O OR15919 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.5 NC(=O)C(=O)O OR54598 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.5 NC(=O)C(Cl)Cl OR14320 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.5 O=C(Cl)C(Cl)Cl OR5297 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.5 [C@H](C)(N)C(N)=O OR22614 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.2 C#CCCCC OR0049 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.2 C#CCCCCl OR14511 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.2 C#CCCCO OR5518 [1,1,0,0,0,0|0,0,2]=4 341 B5R0.2 C=CCCCBr OR30608 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.2 C=CCNC=O OR28268 [1,1,0,0,0,0|0,0,2]=4 343 B5R0.2 C=CCOCCl OR53036 [1,1,0,0,0,0|2,0,0]=4 344 B5R0.2 C=COCCO OR904259 [1,1,0,0,0,0|2,0,0]=4 345 B5R0.2 CCC#CCO OR5519 [1,1,0,0,0,0|0,0,2]=4 346 B5R0.2 CCCCC=O OR5422 [1,1,0,0,0,0|0,0,0]=2 347 B5R0.2 CCCCCBr OR5396 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.2 CCCCCI OR53033 [1,1,0,0,0,0|1,0,1]=4 349 B5R0.2 CCCCCN OR10079 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.2 CCCCCO OR5324 [1,1,0,0,0,0|0,0,1]=3 351 B5R0.2 CCCC[Mg]Br OR320111 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.2 CCCN=C=S OR30307 [1,1,0,0,0,0|0,1,1]=4 353 B5R0.2 CCNCCN OR6517 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.2 CCO\C=C/Br OR10832 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.2 CCSCCCl OR10841 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.2 CCSCCN OR8640 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.2 CNCCCO OR309167 [1,1,0,0,0,0|0,0,1]=3 358 B5R0.2 CNCCNC OR322130 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.2 COCCCBr OR911631 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.2 COCCCN OR54484 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.2 COCCCO OR0976 [1,1,0,0,0,0|0,0,1]=3 362 B5R0.2 CSCCCN OR12831 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.2 ClCCCCBr OR919950 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.2 ClCCCCI OR61420 [1,1,0,0,0,0|1,0,1]=4 365 B5R0.2 ICCCCI OR460062 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.2 N#CCCCBr OR45083 [1,1,0,0,0,0|1,0,1]=4 367 B5R0.2 O=C=NCCCl OR6436 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.2 OCCCCBr OR4233 [1,1,0,0,0,0|0,0,1]=3 369 B5R0.2 OCCCCCl OR13226 [1,1,0,0,0,0|0,0,1]=3 370 B7R0.2 CC(=O)NC(C)CN OR321289 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.2 CC(C)C[C@H](N)CO OR8973 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.2 CC(C)NC(=O)CN OR8216 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.2 CCC(C)CC(=O)O OR5351 [0,2,0,0,0,0|0,0,0]=2 376 B7R0.2 CCC(N)CC(=O)O OR16680 [0,2,0,0,0,0|0,0,0]=2 377 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,2,0,0,0,0|0,0,0]=2 378 B7R0.2 CNC(=O)CC(C)=O OR54480 [0,2,0,0,0,0|1,0,1]=4 379 B7R0.2 COC(=O)C=C(C)C OR7136 [0,2,0,0,0,0|0,0,2]=4 380 B7R0.2 COC(=O)CC(=N)N OR471204 [0,2,0,0,0,0|1,0,1]=4 381 B7R0.2 COC(=O)CC(=O)Cl OR8845 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.2 COC(=O)CC(=O)O OR54514 [0,2,0,0,0,0|0,0,1]=3 383 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [0,2,0,0,0,0|0,0,2]=4 384 B7R0.2 COC(=O)CC(C)=O OR54474 [0,2,0,0,0,0|0,0,1]=3 385 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,2,0,0,0,0|0,0,0]=2 386 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,2,0,0,0,0|0,0,0]=2 387 B7R0.2 COC(=O)C[N+](=O)[O-] OR2038 [0,2,0,0,0,0|2,0,0]=4 388 B7R0.2 COC(=O)\C=C(\C)N OR11326 [0,2,0,0,0,0|0,0,2]=4 389 B7R0.2 NCC(O)CC(=O)O OR1057 [0,2,0,0,0,0|0,0,0]=2 390 B7R0.3 C=CC(=O)NCCN OR55289 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.3 CCC=CC(=O)OC OR40582 [0,2,0,0,0,0|0,0,1]=3 392 B7R0.3 CCCC[C@@H](N)CO OR316035 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.3 CCCC[C@H](N)CO OR316034 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.3 CC\C=C\C(=O)OC OR6667 [0,2,0,0,0,0|0,0,1]=3 395 B7R0.3 CNCCC(=O)NC OR17002 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.3 COC(=O)C=CCBr OR10966 [0,2,0,0,0,0|0,0,2]=4 397 B7R0.3 COC(=O)CCC=O OR313049 [0,2,0,0,0,0|0,0,1]=3 398 B7R0.3 COC(=O)CCCN OR22446 [0,2,0,0,0,0|0,0,0]=2 399 B7R0.5 C#CC[C@H](N)C(=O)O OR61064 [0,2,0,0,0,0|0,0,1]=3 400 B7R0.5 C=CC[C@@H](N)C(=O)O OR14737 [0,2,0,0,0,0|0,0,1]=3 401 B7R0.5 C=CC[C@H](N)C(=O)O OR14736 [0,2,0,0,0,0|0,0,1]=3 402 B7R0.5 CCOC(=O)C(=O)Cl OR17200 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.5 CCOC(=O)C(=O)[O-] OR303345 [0,2,0,0,0,0|0,0,2]=4 404 B7R0.5 CCOC(=O)C(C)=O OR7781 [0,2,0,0,0,0|1,0,1]=4 405 B7R0.5 CCOC(=O)C(C)Br OR2205 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.5 CCOC(=O)C(N)=S OR10873 [0,2,0,0,0,0|1,1,0]=4 407 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [0,2,0,0,0,0|1,0,0]=3 408 B7R0.5 CNCC(N)C(=O)O OR6120T [0,2,0,0,0,0|0,0,0]=2 409 B7R0.5 COCC(Cl)C(=O)O OR15940 [0,2,0,0,0,0|0,0,0]=2 410 B7R0.5 COCC(N)C(=O)O OR14804 [0,2,0,0,0,0|0,0,0]=2 411 B7R0.5 COC[C@H](N)C(=O)O OR55011 [0,2,0,0,0,0|0,0,0]=2 412 B7R0.5 NCCC(N)C(=O)O OR28169 [0,2,0,0,0,0|0,0,0]=2 413 B7R0.5 N[C@@H](CCO)C(=O)O OR304076 [0,2,0,0,0,0|0,0,0]=2 414 B7R0.7 CC#CC(=O)OCC OR14510 [0,2,0,0,0,0|0,0,2]=4 415 B7R0.7 CCCC(=O)OCCl OR16070 [0,2,0,0,0,0|0,0,0]=2 416 B7R0.7 CCNC(=O)CC#N OR23490 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.7 CCNC(=O)CNC OR12098 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.7 CCNC(=O)NCC OR323264 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.7 CCOC(=O)CC#N OR28668 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.7 CCOC(=O)CCCl OR54512 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.7 CCOC(=O)CCN OR26826 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.7 CCOC(=O)COC OR30271 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.7 CCOC(=O)N=C=S OR59819 [0,2,0,0,0,0|1,1,0]=4 424 B7R0.7 CCOC(=O)\C=C/Br OR27617 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.7 O=C(CCCl)CCCl OR53098 [0,2,0,0,0,0|2,0,0]=4 426 B7R0.7 [C-]#[N+]CC(=O)OCC OR18110 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.10 C=C(CBr)C(=O)OC OR322335 [0,2,0,0,0,0|1,0,1]=4 428 B7R0.10 C=CC(O)C(=O)OC OR936535 [0,2,0,0,0,0|0,0,2]=4 429 B7R0.10 CCC(Br)C(=O)OC OR8824 [0,2,0,0,0,0|0,0,0]=2 430 B7R0.10 CCC(N)C(=O)OC OR322366 [0,2,0,0,0,0|0,0,0]=2 431 B7R0.10 CC[C@@H](O)C(=O)OC OR52393 [0,2,0,0,0,0|0,0,0]=2 432 B7R0.10 COC(=O)C(=O)CBr OR8931 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.10 COC(=O)C(Br)CBr OR3479 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.10 COC(=O)C(Cl)C=O OR300674 [0,2,0,0,0,0|1,0,1]=4 435 B7R0.10 COC(=O)C(N)CS OR26796 [0,2,0,0,0,0|1,0,0]=3 436 B7R0.10 CSC(C)\C(C)=N\O OR27701 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.9 CC(=O)CC(C)(C)C OR0844 [0,2,0,0,0,0|1,0,0]=3 438 B7R0.9 CC(C)(C)CC(=O)O OR0494 [0,2,0,0,0,0|0,0,0]=2 439 B7R0.9 CC(C)(C)OC(N)=O OR55005 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.9 CC(C)(N)CC(=O)O OR01641 [0,2,0,0,0,0|0,0,0]=2 441 B7R0.9 CS(=O)(=O)CC(=O)O OR45106 [0,2,0,0,0,0|1,0,0]=3 442 B7R0.9 C[C@@H](O)CC(C)(C)O OR315010 [0,2,0,0,0,0|1,0,1]=4 443 B7R0.16 CC(=O)C(Cl)C(C)=O OR47825 [0,2,0,0,0,0|1,0,1]=4 444 B7R0.16 CC(=O)C(Cl)C(N)=O OR51821 [0,2,0,0,0,0|1,0,1]=4 445 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,2,0,0,0,0|0,0,0]=2 446 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,2,0,0,0,0|0,0,0]=2 447 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,2,0,0,0,0|0,0,0]=2 448 B7R0.16 CN(C)C(=O)C(=O)O OR0185 [0,2,0,0,0,0|1,0,1]=4 449 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,2,0,0,0,0|0,0,0]=2 450 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,2,0,0,0,0|0,0,0]=2 451 B7R0.13 CC(C)(CCl)C(=O)Cl OR2036 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.15 CNC(CS)C(=O)O OR28148 [0,2,0,0,0,0|1,0,0]=3 453 B7R0.15 CN[C@@H](CO)C(=O)O OR54415 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.15 COC(OC)C(C)=O OR40044 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.15 N#CC(CN)C(=O)O OR17008 [0,2,0,0,0,0|1,0,0]=3 456 B7R0.15 O=C(O)C(CBr)CBr OR22434 [0,2,0,0,0,0|1,0,0]=3 457 B7R0.4 C#CCCCC(=O)O OR30593 [0,2,0,0,0,0|0,0,0]=2 458 B7R0.4 CC(=O)NCCCO OR26764 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.4 CCCCCC(=O)Cl OR8839 [0,2,0,0,0,0|1,0,0]=3 460 B7R0.4 CCCCCC(=O)O OR6007 [0,2,0,0,0,0|0,0,0]=2 461 B7R0.4 CCC\C=C\B(O)O OR10576 [0,2,0,0,0,0|1,0,1]=4 462 B7R0.4 CCOC=CC(=O)Cl OR015045 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.4 CCOC=CC(=O)O OR27579 [0,2,0,0,0,0|0,0,1]=3 464 B7R0.4 C\C=C\CCC(=O)O OR60122 [0,2,0,0,0,0|0,0,0]=2 465 B7R0.4 NCCCCC(=O)O OR310635 [0,2,0,0,0,0|0,0,0]=2 466 B7R0.4 O=C(Cl)CCCCBr OR18308 [0,2,0,0,0,0|1,0,0]=3 467 B7R0.4 O=C(O)CCCCBr OR9972 [0,2,0,0,0,0|0,0,0]=2 468 B7R0.4 O=C(O)COCCCl OR301184 [0,2,0,0,0,0|0,0,0]=2 469 B7R0.6 CC(=O)C=CC(C)C OR27820 [0,2,0,0,0,0|1,0,1]=4 470 B7R0.6 CC(=O)CCC(C)=O OR8860 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.6 CC(=O)OCC(=O)Cl OR1899 [0,2,0,0,0,0|1,0,1]=4 472 B7R0.6 CC(C)CCB(O)O OR360310 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.6 CC(C)CCC(=O)O OR40421 [0,2,0,0,0,0|0,0,0]=2 474 B7R0.6 CC(C)OCC(=O)O OR46564 [0,2,0,0,0,0|0,0,0]=2 475 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [0,2,0,0,0,0|0,0,1]=3 476 B7R0.6 C[C@@H](O)CC[C@@H](C)O OR46574 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.6 C[C@H](O)CC[C@H](C)O OR20022 [0,2,0,0,0,0|1,0,1]=4 478 B7R0.8 CCCCS(=O)(=O)Cl OR14981 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.8 CCCNS(=O)(=O)Cl OR346219 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.8 CNCCS(C)(=O)=O OR12717 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.8 NCCCP(=O)(O)O OR60033 [0,2,0,0,0,0|1,0,0]=3 482 B7R0.8 O=S(=O)(Cl)CCCCl OR5825 [0,2,0,0,0,0|1,0,1]=4 483 B5R1.2 O=C1CCC1 OR30488 [1,0,0,1,0,0|1,0,0]=3 484 B5R1.2 O=C1CCN1 OR24812 [1,0,0,1,0,0|1,0,0]=3 485 B5R1.2 O=C1CNC1 OR308018 [1,0,0,1,0,0|2,0,0]=4 486 B5R1.2 O=C1COC1 OR301011 [1,0,0,1,0,0|2,0,0]=4 487 B5R1.3 CCC1CO1 OR40339 [1,0,0,1,0,0|1,0,1]=4 488 B5R1.3 CC[C@@H]1CO1 OR42174 [1,0,0,1,0,0|1,0,1]=4 489 B5R1.3 CC[C@H]1CO1 OR42173 [1,0,0,1,0,0|1,0,1]=4 490 B5R1.1 C1=CCCC1 OR10096 [1,0,0,1,0,0|1,0,0]=3 491 B5R1.1 C1=CCNC1 OR2396 [1,0,0,1,0,0|2,0,0]=4 492 B5R1.1 C1=CCOC1 OR5462 [1,0,0,1,0,0|2,0,0]=4 493 B5R1.1 C1=COCC1 OR2896 [1,0,0,1,0,0|0,0,1]=3 494 B5R1.1 C1=NCCO1 OR305316 [1,0,0,1,0,0|1,0,0]=3 495 B5R1.1 C1CCCC1 OR61603 [1,0,0,1,0,0|1,0,1]=4 496 B5R1.1 C1CCNC1 OR0971 [1,0,0,1,0,0|1,0,1]=4 497 B5R1.1 C1CCOC1 OR30761S [1,0,0,1,0,0|0,0,1]=3 498 B5R1.1 C1CNOC1 OR55263 [1,0,0,1,0,0|1,0,0]=3 499 B7R1.1 BrCC1CCCO1 OR23265 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.1 COC1CCCC1 OR55202 [0,1,0,1,0,0|1,0,1]=4 501 B7R1.1 NCC1CCCO1 OR10076 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.1 O=CC1CCCC1 OR16978 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.1 OCC1CCCC1 OR46003 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.1 OCC1CCCN1 OR13968 [0,1,0,1,0,0|1,0,1]=4 505 B7R1.1 OC[C@@H]1CCCN1 OR5872 [0,1,0,1,0,0|1,0,1]=4 506 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,1,0,1,0,0|0,0,2]=4 507 B7R1.1 OC[C@H]1CCCN1 OR14514 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,1,0,1,0,0|0,0,2]=4 509 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.2 CC1=CC(=O)NO1 OR2998 [0,1,0,1,0,0|0,0,2]=4 511 B7R1.2 CN1CCC(O)C1 OR5467 [0,1,0,1,0,0|1,0,1]=4 512 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,1,0,1,0,0|0,0,0]=2 514 B7R1.2 N[C@H]1CC[C@@H](O)C1 OR61072 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,1,0,1,0,0|1,0,1]=4 516 B7R1.2 O=C1CCC(=O)O1 OR42120 [0,1,0,1,0,0|0,0,1]=3 517 B7R1.2 O=C1COC(=O)C1 OR15973 [0,1,0,1,0,0|0,0,1]=3 518 B7R1.2 O=C1COC(=O)C1 OR28721 [0,1,0,1,0,0|0,0,1]=3 519 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,1,0,1,0,0|0,0,0]=2 520 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.3 CC1=CCCCC1 OR7135 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.3 CC1CCOCO1 OR10967 [0,1,0,1,0,0|1,0,1]=4 524 B7R1.3 CC1CNCCO1 OR301073 [0,1,0,1,0,0|1,0,1]=4 525 B7R1.3 C[C@@H]1CNCCO1 OR70093 [0,1,0,1,0,0|1,0,1]=4 526 B7R1.3 C[C@H]1CNCCO1 OR308176 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.3 C[C@H]1CNCCO1 OR45132 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.3 NC1CCCOC1 OR52254 [0,1,0,1,0,0|1,0,1]=4 529 B7R1.3 NC1CCCOC1 OR70184 [0,1,0,1,0,0|1,0,1]=4 530 B7R1.3 O=C1C=CCCC1 OR18379 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.3 O=C1C=CCCO1 OR70226 [0,1,0,1,0,0|0,0,1]=3 532 B7R1.3 O=C1CCCCN1 OR5194 [0,1,0,1,0,0|1,0,0]=3 533 B7R1.3 O=C1CCCCO1 OR10065 [0,1,0,1,0,0|0,0,0]=2 534 B7R1.3 O=C1CCCNC1 OR40196 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.3 O=C1CCCOC1 OR301349 [0,1,0,1,0,0|0,0,0]=2 536 B7R1.3 O=C1CCNCC1 OR55344 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.3 O=C1CCNCC1 OR6945 [0,1,0,1,0,0|1,0,0]=3 538 B7R1.3 O=C1CCOCC1 OR9280 [0,1,0,1,0,0|1,0,0]=3 539 B7R1.3 O=C1CCSCC1 OR27391 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.3 O=C1CNCCN1 OR4565 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.3 O=C1COCCN1 OR301177 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.3 O=C1OCCCO1 OR41165 [0,1,0,1,0,0|0,0,0]=2 543 B7R1.3 OC1CCCNC1 OR350185 [0,1,0,1,0,0|1,0,1]=4 544 B7R1.3 OC1CCCOC1 OR46583 [0,1,0,1,0,0|0,0,2]=4 545 B7R1.3 OC1CCNCC1 OR9943 [0,1,0,1,0,0|1,0,1]=4 546 B7R1.3 OC1CCOCC1 OR14305 [0,1,0,1,0,0|1,0,1]=4 547 B7R1.3 O[C@@H]1CCCNC1 OR4578 [0,1,0,1,0,0|1,0,1]=4 548 B7R1.3 O[C@H]1CCCNC1 OR4577 [0,1,0,1,0,0|1,0,1]=4 549 B7R1.3 S=C1NCCCN1 OR21392 [0,1,0,1,0,0|1,1,0]=4 550 B7R1.3 S=C1NCCCS1 OR15461 [0,1,0,1,0,0|0,2,0]=4 551 B7R1.4 BrC1=C(Br)CCC1 OR13703 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.4 CC1CCOC1=O OR55456 [0,1,0,1,0,0|0,0,0]=2 553 B7R1.4 CC1OCCC1=O OR28730 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.4 NC1CCOC1=O OR5100 [0,1,0,1,0,0|0,0,0]=2 555 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307606 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307607 [0,1,0,1,0,0|1,0,1]=4 557 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307678 [0,1,0,1,0,0|1,0,1]=4 558 B7R1.4 N[C@H]1CCOC1=O OR54538 [0,1,0,1,0,0|0,0,0]=2 559 B7R1.4 O=C1CCC=C1Br OR19566 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.4 O=C1CCCC1Cl OR5230 [0,1,0,1,0,0|1,0,0]=3 561 B7R1.4 O=C1NCCC1O OR40442 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.4 O=C1OCCC1Br OR5280 [0,1,0,1,0,0|0,0,0]=2 563 B7R1.4 O=C1OCC[C@@H]1O OR315288 [0,1,0,1,0,0|0,0,0]=2 564 B7R1.4 O=C1OCC[C@H]1O OR315289 [0,1,0,1,0,0|0,0,0]=2 565 B7R1.10 C=C1CC(CN)C1 OR6220 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.10 NCC1CC(O)C1 OR317061 [0,1,0,1,0,0|1,0,1]=4 567 B7R1.10 NC[C@H]1C[C@@H](O)C1 OR308088 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.10 NC[C@H]1C[C@H](O)C1 OR317067 [0,1,0,1,0,0|1,0,1]=4 569 B7R1.10 O=C1CC(CBr)C1 OR317135 [0,1,0,1,0,0|1,0,0]=3 570 B7R1.10 O=C1CC(CO)C1 OR308103 [0,1,0,1,0,0|1,0,0]=3 571 B7R1.10 O=C1CC(CO)N1 OR51994 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.22 COC(=O)[C@H]1CN1 OR313079 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.22 NC(CO)C1CC1 OR451109 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.25 NC1(CO)CCC1 OR317075 [0,1,0,1,0,0|1,0,1]=4 575 B7R1.25 OCC1(O)CCC1 OR54527 [0,1,0,1,0,0|0,0,2]=4 576 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,1,0,1,0,0|0,0,0]=2 577 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,1,0,1,0,0|0,0,0]=2 578 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,1,0,1,0,0|0,0,0]=2 579 B7R1.16 CC1(N)CC(O)C1 OR51832 [0,1,0,1,0,0|1,0,1]=4 580 B7R1.16 C[C@]1(N)C[C@@H](O)C1 OR51826 [0,1,0,1,0,0|1,0,1]=4 581 B7R1.16 C[C@]1(O)C[C@@H](N)C1 OR317287 [0,1,0,1,0,0|1,0,1]=4 582 B7R1.16 C[C@]1(O)C[C@H](N)C1 OR317286 [0,1,0,1,0,0|1,0,1]=4 583 B7R1.20 NC(=O)NC1CC1 OR21332 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.20 O=C(O)CC1CC1 OR59893 [0,1,0,1,0,0|0,0,0]=2 585 B7R1.18 N=C(N)C1CCC1 OR46519 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.18 NC(=O)C1CNC1 OR308017 [0,1,0,1,0,0|1,0,0]=3 587 B7R1.18 NC(=O)C1CNC1 OR317162 [0,1,0,1,0,0|1,0,0]=3 588 B7R1.18 O=C(Cl)C1CCC1 OR28716 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.18 O=C(O)C1CCC1 OR8888 [0,1,0,1,0,0|0,0,0]=2 590 B7R1.18 O=C(O)C1CNC1 OR0961 [0,1,0,1,0,0|0,0,0]=2 591 B7R1.18 O=C(O)C1COC1 OR309073 [0,1,0,1,0,0|0,0,0]=2 592 B7R1.18 O=C(O)C1CSC1 OR312065 [0,1,0,1,0,0|0,0,0]=2 593 B7R1.18 O=C(O)[C@@H]1CCN1 OR1250T [0,1,0,1,0,0|0,0,0]=2 594 B7R1.18 OB(O)C1CCC1 OR60086 [0,1,0,1,0,0|1,0,1]=4 595 B7R1.19 CC1(C(=O)O)CC1 OR24738 [0,1,0,1,0,0|0,0,0]=2 596 B7R1.19 NC1(C(=O)O)CC1 OR0355T [0,1,0,1,0,0|0,0,0]=2 597 B7R1.19 O=C(O)C1(O)CC1 OR15989 [0,1,0,1,0,0|0,0,0]=2 598 B7R1.7 CCCCC1CO1 OR17696 [0,1,0,1,0,0|1,0,1]=4 599 B7R1.14 N=S1(=O)CCCC1 OR310524 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.14 O=S1(=O)CCCC1 OR51759 [0,1,0,1,0,0|1,0,1]=4 601 B7R1.26 NS(=O)(=O)C1CC1 OR3194 [0,1,0,1,0,0|1,0,1]=4 602 B7R1.26 O=S(=O)(Cl)C1CC1 OR12688 [0,1,0,1,0,0|1,0,1]=4 603 B7R2.13 C1CC2OC2C1 OR4849 [0,0,0,2,0,0|1,0,1]=4