0 B5R0.1 C=CC[C@H](C)O OR304051 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(=O)NCO OR61255 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(C)=CCBr OR46013 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(C)=CCCl OR22167 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(C)=C[Mg]Br OR320001 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(C)=C[Mg]Cl OR320002 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(C)CC#N OR52674 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 CC(C)CCI OR8220 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 CC(C)CCN OR12816 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 CC(C)CCO OR460021 [0,0,0,0,0,0|0,0,0]=0 10 B5R0.1 CC(C)CNN OR0203 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CC(C)C[Mg]Br OR52618 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 CC(C)N=C=S OR30306 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.1 CC(O)CC#N OR2847 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CCCB(O)O OR8415 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 CCCC(=O)O OR6005 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CCCC(=O)[O-] OR8783 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CCCC(C)N OR10075 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 CN(C)CCN OR6514 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 C[C@@H](O)CCO OR2223 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 NC(=O)CCBr OR322315 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 NC(=O)CCCl OR26786 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 NCCC(=O)O OR5225 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 O=C(Cl)CCCl OR11057 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 O=C(O)CCBr OR8993 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 O=C(O)CCO OR59874 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 O=C(O)CCO OR70031 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 C#CC(C)O OR01834 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C#C[C@@H](C)O OR16943 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C#C[C@H](C)O OR40593 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C=C(C)CBr OR17610 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C=C(C)CC OR14507 [1,0,0,0,0,0|0,0,2]=3 32 B4R0.1 C=C(C)CCl OR16423 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=C(C)CN OR10897 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C=C(C)CN OR59958 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 C=C(C)CO OR16426 [1,0,0,0,0,0|0,0,2]=3 36 B4R0.1 C=C(C)OC OR17619 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 C=C(Cl)CO OR9536 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C=CC(C)C OR460043 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.1 C=CC(C)Cl OR55516 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 CC(=O)CO OR17702 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC(=O)NO OR6375T [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(C)=CCl OR16424 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 CC(C)C=O OR322092 [1,0,0,0,0,0|0,0,2]=3 44 B4R0.1 CC(C)CI OR2195 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(C)NN OR7919 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(C)NO OR59437 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 CC(C)ON OR933332 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CC(C)[Mg]Br OR320105 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CC(C)[Mg]Br OR320106 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(C)[Mg]Cl OR320107 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CCB(O)O OR8874 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 CCC(=N)N OR200136 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CCC(=O)[O-] OR70110 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CCC(C)Br OR4335 [1,0,0,0,0,0|1,0,0]=2 55 B4R0.1 CCC(C)Cl OR460003 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 CCC(C)I OR5340 [1,0,0,0,0,0|1,0,0]=2 57 B4R0.1 CC[C@@H](C)N OR59999 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.1 CC[C@@H](C)O OR304038 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 CC[C@H](C)N OR60000 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 CC[C@H](C)O OR4619 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.1 CN(C)C#N OR12758 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C[C@@H](N)CO OR0903 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 C[C@@H](O)CN OR304058 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 C[C@H](N)CO OR5875 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 C[C@H](O)CN OR30797 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 C\C(N)=N\O OR30585 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 NC(=O)CO OR21888 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 O=C(O)CO OR13191 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 O=S([O-])CO OR922468 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.2 BrCCCBr OR0972 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.2 C#CCCC OR5512 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.2 C#CCCO OR1952 [1,0,0,0,0,0|0,0,2]=3 73 B4R0.2 C#COCC OR4769 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 C=CCCBr OR8033 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.2 C=CCCC OR5326 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.2 C=CCNC OR3619 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 CC#CCBr OR5530 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.2 CC#CCO OR14505 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.2 CC=CCCl OR5497 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 CC=CCO OR18372 [1,0,0,0,0,0|0,0,2]=3 81 B4R0.2 CCCC#N OR9437 [1,0,0,0,0,0|1,0,1]=3 82 B4R0.2 CCCCBr OR460056 [1,0,0,0,0,0|1,0,0]=2 83 B4R0.2 CCCCI OR3174 [1,0,0,0,0,0|1,0,0]=2 84 B4R0.2 CCOC=O OR28814 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.2 CNCCN OR6516 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.2 COCC#N OR5269 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 COCCBr OR11137 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.2 COCCN OR59868 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.2 CSCCN OR4873 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.2 C\C=C\CCl OR51978 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.2 ClCCCCl OR0973 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.2 ClCCCI OR2939 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 ICCCI OR4510 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 N#CCCBr OR322150 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 N#CCCO OR3049 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.2 NCCCBr OR322151 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.2 NNCCO OR9124 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.2 OCCCBr OR0978 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.2 OCCCCl OR0977 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.1 CCCC(C)C=O OR40018 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.1 CNC(=O)CCN OR16480 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.1 CNC(=O)CCN OR51734 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.1 CNCC(O)CO OR13648 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.1 COC(=O)CCS OR28780 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.1 COCC(O)CO OR30517 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.1 OCC[C@@H](O)CO OR4602 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.1 OCC[C@H](O)CO OR5242 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.2 CC(=O)CC(C)C OR61047 [0,1,0,0,0,0|0,0,2]=3 109 B6R0.2 CC(C)=CC(=O)O OR46069 [0,1,0,0,0,0|0,0,3]=4 110 B6R0.2 CC(C)CB(O)O OR14160 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.2 CC(C)CC(=O)O OR2260 [0,1,0,0,0,0|0,0,1]=2 112 B6R0.2 CC(C)CC(N)=O OR22499 [0,1,0,0,0,0|0,0,2]=3 113 B6R0.2 CC(C)NC(C)C OR1090 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.2 CC(C)NC(C)C OR12657 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.2 CC(C)OC(C)C OR30780 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.2 CC(O)CC(C)O OR10041 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.2 CN(C)CC(=O)O OR45130 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.3 CC(C)C(=N)NO OR40109 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.3 CC(C)C(=O)CBr OR346253 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.3 CC(C)C(N)CO OR17684 [0,1,0,0,0,0|0,0,0]=1 121 B6R0.3 CC(C)[C@@H](N)CO OR5885 [0,1,0,0,0,0|0,0,0]=1 122 B6R0.3 CC(C)[C@H](N)CO OR5874 [0,1,0,0,0,0|0,0,0]=1 123 B6R0.3 CN(C)C(=O)CBr OR55573 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.3 CN(C)C(=O)CN OR12015 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 CN(C)C(=O)CN OR952034 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.4 C=CCCC(C)Br OR55112 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.4 C=CCC[C@@H](C)O OR304052 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.4 CC(=O)CCCCl OR10086 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.4 CC(=O)NCCCl OR55006 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.4 CC(C)=CCCBr OR3008 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.4 CC(C)CN=C=S OR28903 [0,1,0,0,0,0|0,1,1]=3 132 B6R0.4 CCCCC(C)=O OR10020 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.4 CCCC[C@H](C)O OR304042 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 CCCOC(C)=O OR5312 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.4 CN(C)CCCCl OR0910 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.4 CN(C)CCCN OR54483 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.4 CN(C)CCNN OR59434 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.4 NC(=O)NCCO OR17003 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.5 C=CC[Si](C)(C)Cl OR55393 [0,1,0,0,0,0|1,1,1]=4 140 B6R0.5 CC(C)(C)C[Mg]Cl OR320003 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.5 CC(C)(C)N=C=S OR322172 [0,1,0,0,0,0|1,1,1]=4 142 B6R0.5 CC(C)(C)ON=O OR2337 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.5 CC(C)(O)CCN OR60244 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.5 CC(C)(O)CCO OR16608 [0,1,0,0,0,0|0,0,0]=1 145 B6R0.5 CCCC(C)(C)N OR30986 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.5 CS(=O)(=O)CCBr OR929569 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.5 CS(=O)(=O)CCN OR12674 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.5 C[N+](C)(C)CC=O OR2501 [0,1,0,0,0,0|1,0,2]=4 149 B6R0.5 C[P+](C)(C)CC#N OR310566 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.5 C[Si](C)(C)CCO OR4827 [0,1,0,0,0,0|0,1,0]=2 151 B6R0.5 ClCCC(Cl)(Cl)Cl OR59960 [0,1,0,0,0,0|3,0,0]=4 152 B6R1.2 BrC1CCCC1 OR10098 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 CC1CCCN1 OR30527 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 CC1CCCO1 OR42160 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.2 CC1CCNC1 OR313066 [0,0,0,1,0,0|1,0,0]=2 156 B6R1.2 C[C@@H]1CCCN1 OR15684 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 C[C@@H]1CCCN1 OR18417 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 C[C@@H]1CCCN1 OR4617 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 C[C@H]1CCCN1 OR460046 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.2 C[C@H]1CCCN1 OR4618 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.2 C[C@H]1CCNC1 OR313067 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.2 ClC1CCCC1 OR10099 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.2 IC1CCOC1 OR52585 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.2 I[C@@H]1CCOC1 OR52586 [0,0,0,1,0,0|1,0,0]=2 165 B6R1.2 NC1CC=CC1 OR301049 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.2 NC1CCCC1 OR10097 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.2 NC1CCNC1 OR52187 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.2 NC1CCOC1 OR301034 [0,0,0,1,0,0|1,0,0]=2 169 B6R1.2 NC1CCOC1 OR40690 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.2 N[C@@H]1CCOC1 OR322597 [0,0,0,1,0,0|1,0,0]=2 171 B6R1.2 N[C@@H]1CCOC1 OR4604 [0,0,0,1,0,0|1,0,0]=2 172 B6R1.2 N[C@H]1CCOC1 OR322596 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.2 O=C1CCCC1 OR10095 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.2 O=C1CCNC1 OR301124 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.2 O=C1CCNC1 OR61343 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.2 O=C1CCOC1 OR30821 [0,0,0,1,0,0|1,0,1]=3 177 B6R1.2 O=C1CCSC1 OR5506 [0,0,0,1,0,0|1,1,1]=4 178 B6R1.2 OC1CCCC1 OR10094 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.2 OC1CCNC1 OR9068 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.2 O[C@@H]1CCNC1 OR15681 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.2 O[C@@H]1CCNC1 OR4628 [0,0,0,1,0,0|2,0,0]=3 182 B6R1.2 O[C@@H]1CCOC1 OR4601 [0,0,0,1,0,0|1,0,0]=2 183 B6R1.2 O[C@H]1CCNC1 OR15682 [0,0,0,1,0,0|2,0,0]=3 184 B6R1.2 O[C@H]1CCNC1 OR4627 [0,0,0,1,0,0|2,0,0]=3 185 B6R1.2 O[C@H]1CCOC1 OR4603 [0,0,0,1,0,0|1,0,0]=2 186 B6R1.3 BrCCC1CC1 OR41170 [0,0,0,1,0,0|1,0,0]=2 187 B6R1.3 CCNC1CC1 OR470784 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.3 NCCC1CC1 OR19507 [0,0,0,1,0,0|1,0,0]=2 189 B6R1.3 O=C=NC1CC1 OR307001 [0,0,0,1,0,0|1,0,2]=4 190 B6R1.3 S=C=NC1CC1 OR30127 [0,0,0,1,0,0|1,1,1]=4 191 B6R1.5 CN1CC(N)C1 OR313027 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.5 CN1CC(O)C1 OR308027 [0,0,0,1,0,0|1,0,0]=2 193 B6R1.5 CN1CC(O)C1 OR317154 [0,0,0,1,0,0|1,0,0]=2 194 B6R1.5 NC1CC(=O)C1 OR308095 [0,0,0,1,0,0|1,0,2]=4 195 B6R1.5 NC1CC(O)C1 OR317063 [0,0,0,1,0,0|1,0,0]=2 196 B6R1.5 N[C@H]1C[C@@H](O)C1 OR308097 [0,0,0,1,0,0|1,0,0]=2 197 B6R1.5 N[C@H]1C[C@H](O)C1 OR308098 [0,0,0,1,0,0|1,0,0]=2 198 B6R1.10 CC1(C)CNC1 OR313047 [0,0,0,1,0,0|2,0,0]=3 199 B6R1.10 CC1(C)COC1 OR309099 [0,0,0,1,0,0|2,0,0]=3 200 B6R1.10 C[Si]1(C)CCC1 OR52271 [0,0,0,1,0,0|1,1,0]=3 201 B6R1.11 CC(=O)C1CC1 OR10100 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.11 CC(=O)C1CO1 OR01831 [0,0,0,1,0,0|1,0,1]=3 203 B6R1.11 CC(N)C1CC1 OR7051 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.11 CC(O)C1CC1 OR54516 [0,0,0,1,0,0|2,0,0]=3 205 B3R0.1 BrCCI OR460045 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.1 C#CCC OR19587 [2,0,0,0,0,0|0,0,2]=4 207 B3R0.1 C=CCC OR8591 [2,0,0,0,0,0|0,0,2]=4 208 B3R0.1 CC#CC OR52506 [2,0,0,0,0,0|0,0,2]=4 209 B3R0.1 CC=CC OR61316 [2,0,0,0,0,0|0,0,2]=4 210 B3R0.1 CCC=O OR17251 [2,0,0,0,0,0|0,0,2]=4 211 B3R0.1 CCCC OR8385 [2,0,0,0,0,0|0,0,0]=2 212 B3R0.1 CCCCl OR460042 [2,0,0,0,0,0|1,0,0]=3 213 B3R0.1 CCCI OR4541 [2,0,0,0,0,0|1,0,0]=3 214 B3R0.1 CCCN OR15743 [2,0,0,0,0,0|1,0,0]=3 215 B3R0.1 CCNC OR30626 [2,0,0,0,0,0|1,0,0]=3 216 B3R0.1 CCNN OR939620 [2,0,0,0,0,0|2,0,0]=4 217 B3R0.1 CC[Mg]Br OR320091 [2,0,0,0,0,0|2,0,0]=4 218 B3R0.1 CC[Mg]Br OR320094 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.1 CNOC OR12778 [2,0,0,0,0,0|2,0,0]=4 220 B3R0.1 COCBr OR11138 [2,0,0,0,0,0|2,0,0]=4 221 B3R0.1 CSCCl OR39998 [2,0,0,0,0,0|2,0,0]=4 222 B3R0.1 C\C=C\C OR4472 [2,0,0,0,0,0|0,0,2]=4 223 B3R0.1 ClCCI OR51875 [2,0,0,0,0,0|2,0,0]=4 224 B3R0.1 ICCI OR2622 [2,0,0,0,0,0|2,0,0]=4 225 B3R0.1 NCCBr OR1160 [2,0,0,0,0,0|2,0,0]=4 226 B3R0.1 NCCS OR9920T [2,0,0,0,0,0|1,1,0]=4 227 B3R0.1 OCCBr OR30640 [2,0,0,0,0,0|1,0,0]=3 228 B3R0.2 C=C(C)C OR40492 [2,0,0,0,0,0|0,0,2]=4 229 B3R0.2 CB(O)O OR3322 [2,0,0,0,0,0|2,0,0]=4 230 B3R0.2 CC(=O)O OR28877 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.2 CC(=O)O OR40340 [2,0,0,0,0,0|1,0,1]=4 232 B3R0.2 CC(C)I OR4540 [2,0,0,0,0,0|1,0,0]=3 233 B3R0.2 CC(C)N OR61315 [2,0,0,0,0,0|1,0,0]=3 234 B3R0.2 CC(Cl)Cl OR3712 [2,0,0,0,0,0|2,0,0]=4 235 B3R0.2 CN(C)C OR5415 [2,0,0,0,0,0|1,0,0]=3 236 B3R0.2 CS(C)=O OR61029 [2,0,0,0,0,0|1,0,1]=4 237 B3R0.2 C[13C](=O)O OR60238 [2,0,0,0,0,0|1,0,1]=4 238 B3R0.2 C[SiH](C)C OR17012 [2,0,0,0,0,0|0,1,0]=3 239 B5R0.3 C=C(CO)CO OR54371 [1,1,0,0,0,0|0,0,2]=4 240 B5R0.3 CCC(=O)CBr OR1465 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.3 CCC(Br)CBr OR70073 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 CCC(C)CN OR28802 [1,1,0,0,0,0|0,0,0]=2 243 B5R0.3 CCC(C)NN OR318093 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.3 CCC(C)OC OR14508 [1,1,0,0,0,0|0,0,0]=2 245 B5R0.3 CCC(N)CC OR10080 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.3 CCC(N)CO OR16670 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.3 CCC(O)CC OR10042 [1,1,0,0,0,0|1,0,0]=3 248 B5R0.3 CCC(O)CN OR1554 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.3 CC[C@@H](N)CO OR5871 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.3 CC[C@@H](O)CO OR52088 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.3 CC[C@H](N)CO OR5854 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.3 CN[C@@H](C)CO OR55461 [1,1,0,0,0,0|0,0,0]=2 253 B5R0.3 CN[C@H](C)CO OR55460 [1,1,0,0,0,0|0,0,0]=2 254 B5R0.3 COC(=O)CO OR21875 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.3 ClCC(Br)CBr OR1177 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.3 NC(CO)CO OR5368 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.3 NCC(O)CN OR1859 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.3 NCC(O)CO OR10134 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.3 NC[C@H](O)CO OR42150 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.3 OC(CBr)CBr OR1061 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.3 OC(CCl)CCl OR61346 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.3 OCC(Br)CBr OR4897 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.3 OCC(O)CBr OR3095 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.3 OCC(O)CS OR61438 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.4 C#CC(C)(C)C OR11141 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.4 C#CC(C)(C)Cl OR13593 [1,1,0,0,0,0|0,0,2]=4 267 B5R0.4 C#CC(C)(C)N OR16455 [1,1,0,0,0,0|0,0,2]=4 268 B5R0.4 C=CC(C)(C)C OR28711 [1,1,0,0,0,0|0,0,2]=4 269 B5R0.4 CC(C)(Br)C=O OR52528 [1,1,0,0,0,0|0,0,2]=4 270 B5R0.4 CC(C)(C)C#N OR6535 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.4 CC(C)(C)C=O OR28610 [1,1,0,0,0,0|0,0,2]=4 272 B5R0.4 CC(C)(C)CCl OR460072 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.4 CC(C)(C)CN OR938214 [1,1,0,0,0,0|1,0,0]=3 274 B5R0.4 CC(C)(C)NN OR28606 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.4 CC(C)(C)NO OR24575 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.4 CC(C)(C)NO OR45111 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.4 CC(C)(C)ON OR24583 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.4 CC(C)(C)[Mg]Cl OR320126 [1,1,0,0,0,0|2,0,0]=4 279 B5R0.4 CC(C)(Cl)CCl OR16427 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.4 CC(C)(N)C#N OR315172 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.4 CC(C)(N)CN OR30693 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.4 CC(C)(N)CO OR1740T [1,1,0,0,0,0|0,0,0]=2 283 B5R0.4 CC(C)(O)CCl OR4348 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.4 CC(C)(O)CN OR301207 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.4 CC(C)(O)CO OR310412 [1,1,0,0,0,0|0,0,0]=2 286 B5R0.4 CNC(C)(C)C OR10027 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.4 COC(C)(C)C OR59936 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.4 CS[Si](C)(C)C OR46007 [1,1,0,0,0,0|1,1,0]=4 289 B5R0.4 C[Si](C)(C)CCl OR3470 [1,1,0,0,0,0|1,1,0]=4 290 B5R0.4 OCC(Br)(Br)Br OR1882 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.4 OCC(Cl)(Cl)Cl OR40732 [1,1,0,0,0,0|2,0,0]=4 292 B5R0.5 C=C(C)C(C)C OR46606 [1,1,0,0,0,0|0,0,1]=3 293 B5R0.5 CC(=O)C(C)Br OR1466 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.5 CC(=O)C(C)C OR5350 [1,1,0,0,0,0|0,0,1]=3 295 B5R0.5 CC(C)=C(C)C OR18350 [1,1,0,0,0,0|0,0,2]=4 296 B5R0.5 CC(C)B(O)O OR8880 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.5 CC(C)C(=N)N OR27276 [1,1,0,0,0,0|1,0,1]=4 298 B5R0.5 CC(C)C(=O)Cl OR10005 [1,1,0,0,0,0|0,0,2]=4 299 B5R0.5 CC(C)C(C)C OR53144 [1,1,0,0,0,0|0,0,0]=2 300 B5R0.5 CC(C)C(C)O OR10026 [1,1,0,0,0,0|0,0,0]=2 301 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [1,1,0,0,0,0|1,0,1]=4 302 B5R0.5 C[C@@H](O)C(=O)O OR960721 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.5 C[C@@H](O)[C@@H](C)O OR15918 [1,1,0,0,0,0|1,0,0]=3 304 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.5 C[C@H](O)[C@H](C)O OR15919 [1,1,0,0,0,0|1,0,0]=3 306 B5R0.2 C#CCCCC OR0049 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.2 C#CCCCCl OR14511 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.2 C#CCCCO OR5518 [1,1,0,0,0,0|0,0,1]=3 309 B5R0.2 C=CCCCBr OR30608 [1,1,0,0,0,0|1,0,1]=4 310 B5R0.2 C=COCCO OR904259 [1,1,0,0,0,0|0,0,2]=4 311 B5R0.2 CCC#CCC OR5524 [1,1,0,0,0,0|1,0,1]=4 312 B5R0.2 CCC#CCO OR5519 [1,1,0,0,0,0|0,0,1]=3 313 B5R0.2 CCCCC=O OR5422 [1,1,0,0,0,0|0,0,1]=3 314 B5R0.2 CCCCCBr OR5396 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.2 CCCCCI OR53033 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.2 CCCCCN OR10079 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.2 CCCCCO OR5324 [1,1,0,0,0,0|0,0,0]=2 318 B5R0.2 CCCC[Mg]Br OR320111 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.2 CCCN=C=S OR30307 [1,1,0,0,0,0|0,1,1]=4 320 B5R0.2 CCNCCN OR6517 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.2 CCSCCCl OR10841 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.2 CCSCCN OR8640 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.2 CNCCCO OR309167 [1,1,0,0,0,0|0,0,0]=2 324 B5R0.2 CNCCNC OR322130 [1,1,0,0,0,0|2,0,0]=4 325 B5R0.2 COCCCBr OR911631 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.2 COCCCN OR54484 [1,1,0,0,0,0|1,0,0]=3 327 B5R0.2 COCCCO OR0976 [1,1,0,0,0,0|0,0,0]=2 328 B5R0.2 CSCCCN OR12831 [1,1,0,0,0,0|1,0,0]=3 329 B5R0.2 ClCCCCBr OR919950 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.2 ClCCCCI OR61420 [1,1,0,0,0,0|1,0,0]=3 331 B5R0.2 ICCCCI OR460062 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.2 N#CCCCBr OR45083 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.2 OCCCCBr OR4233 [1,1,0,0,0,0|0,0,0]=2 334 B5R0.2 OCCCCCl OR13226 [1,1,0,0,0,0|0,0,0]=2 335 B7R0.2 CC(C)C[C@H](N)CO OR8973 [0,2,0,0,0,0|0,0,0]=2 336 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,2,0,0,0,0|1,0,1]=4 337 B7R0.2 CC(C)NC(=O)CN OR8216 [0,2,0,0,0,0|1,0,1]=4 338 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.2 CCC(C)CC(=O)O OR5351 [0,2,0,0,0,0|0,0,1]=3 340 B7R0.2 CCC(C)CC(C)C OR52416 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.2 CCC(C)CC(C)N OR2894 [0,2,0,0,0,0|1,0,0]=3 342 B7R0.2 CCC(N)CC(=O)O OR16680 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.2 CN(C)CC(O)CCl OR11726 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,2,0,0,0,0|1,0,1]=4 346 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,2,0,0,0,0|1,0,1]=4 347 B7R0.2 NCC(O)CC(=O)O OR1057 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.3 CCC(C)CN=C=S OR30206 [0,2,0,0,0,0|0,1,1]=4 349 B7R0.3 CCCCC(C)CC OR9114 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.3 CCCC[C@@H](N)CO OR316035 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.3 CCCC[C@H](N)CO OR316034 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.3 CC\C(C)=C\CCBr OR3009 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.5 CC(C)C(=O)CC#N OR61296 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.5 N[C@@H](CCO)C(=O)O OR304076 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.7 CC(CCBr)CCBr OR59902 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.7 CCCC(N)CCC OR6158 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.10 CSC(C)\C(C)=N\O OR27701 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.10 OC[C@@H](O)[C@H](O)CO OR315319 [0,2,0,0,0,0|1,0,0]=3 359 B7R0.10 OC[C@H](O)[C@@H](O)CO OR55453 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.11 CC(C)(C#N)CC=O OR40004 [0,2,0,0,0,0|0,0,2]=4 361 B7R0.11 CC(C)(CCl)CC#N OR14984 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.11 C[N+](C)(CI)CCO OR55305 [0,2,0,0,0,0|1,0,0]=3 363 B7R0.12 CCC(CC)C[Mg]Br OR320005 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.12 CNCC(OC)OC OR6502 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.9 CC(=O)CC(C)(C)C OR0844 [0,2,0,0,0,0|0,0,2]=4 366 B7R0.9 CC(C)(C)CC(=O)O OR0494 [0,2,0,0,0,0|0,0,1]=3 367 B7R0.9 CC(C)(N)CC(=O)O OR01641 [0,2,0,0,0,0|0,0,1]=3 368 B7R0.9 C[C@@H](O)CC(C)(C)O OR315010 [0,2,0,0,0,0|0,0,0]=2 369 B7R0.16 CC(C)C(=O)C(C)C OR42127 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,2,0,0,0,0|0,0,1]=3 371 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,2,0,0,0,0|0,0,1]=3 372 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,2,0,0,0,0|0,0,1]=3 373 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,2,0,0,0,0|1,0,1]=4 374 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.13 CC(C)C(C)(N)C#N OR21403 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.14 CC(C)(C)C(=O)CBr OR23786 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.14 CC(C)(C)[C@@H](N)CO OR40208 [0,2,0,0,0,0|0,0,0]=2 378 B7R0.14 CC(C)(C)[C@H](N)CO OR26748 [0,2,0,0,0,0|0,0,0]=2 379 B7R0.14 CC(C)(O)C(=N)NO OR305493 [0,2,0,0,0,0|1,0,1]=4 380 B7R0.14 CCC(=O)C(C)(C)C OR29023 [0,2,0,0,0,0|1,0,1]=4 381 B7R0.14 CCC(C)C(C)(C)C OR52415 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.4 CC(=O)NCCCO OR26764 [0,2,0,0,0,0|1,0,1]=4 383 B7R0.4 CCCCCC(C)N OR10072 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.6 CC(C)CCB(O)O OR360310 [0,2,0,0,0,0|0,0,0]=2 385 B7R0.6 CC(C)CCC(=O)O OR40421 [0,2,0,0,0,0|0,0,0]=2 386 B7R0.6 CC(C)OCC(=O)O OR46564 [0,2,0,0,0,0|0,0,1]=3 387 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [0,2,0,0,0,0|0,0,2]=4 388 B7R0.6 CN(C)CCN(C)C OR7140 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.6 C[C@@H](O)CC[C@@H](C)O OR46574 [0,2,0,0,0,0|1,0,0]=3 390 B7R0.6 C[C@H](O)CC[C@H](C)O OR20022 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.8 CC(C)(Cl)CCC#N OR22165 [0,2,0,0,0,0|1,0,0]=3 392 B5R1.2 BrC1CCC1 OR41168 [1,0,0,1,0,0|1,0,0]=3 393 B5R1.2 BrC1COC1 OR301081 [1,0,0,1,0,0|1,0,0]=3 394 B5R1.2 NC1CCC1 OR59991 [1,0,0,1,0,0|1,0,0]=3 395 B5R1.2 NC1COC1 OR308008 [1,0,0,1,0,0|1,0,0]=3 396 B5R1.2 O=C1CCC1 OR30488 [1,0,0,1,0,0|1,0,1]=4 397 B5R1.2 O=C1COC1 OR301011 [1,0,0,1,0,0|1,0,1]=4 398 B5R1.2 OC1CNC1 OR1873 [1,0,0,1,0,0|2,0,0]=4 399 B5R1.2 OC1CNC1 OR301160 [1,0,0,1,0,0|2,0,0]=4 400 B5R1.2 OC1COC1 OR60206 [1,0,0,1,0,0|1,0,0]=3 401 B5R1.3 BrCC1CC1 OR28323 [1,0,0,1,0,0|1,0,0]=3 402 B5R1.3 C#CC1CC1 OR11148 [1,0,0,1,0,0|0,0,2]=4 403 B5R1.3 CCC1CO1 OR40339 [1,0,0,1,0,0|1,0,0]=3 404 B5R1.3 CC[C@@H]1CO1 OR42174 [1,0,0,1,0,0|1,0,0]=3 405 B5R1.3 CC[C@H]1CO1 OR42173 [1,0,0,1,0,0|1,0,0]=3 406 B5R1.3 ClCC1CC1 OR460074 [1,0,0,1,0,0|1,0,0]=3 407 B5R1.3 ClC[C@@H]1CO1 OR28971 [1,0,0,1,0,0|2,0,0]=4 408 B5R1.3 ClC[C@H]1CO1 OR28970 [1,0,0,1,0,0|2,0,0]=4 409 B5R1.3 N#CC1CC1 OR0999 [1,0,0,1,0,0|1,0,1]=4 410 B5R1.3 NCC1CC1 OR17033 [1,0,0,1,0,0|1,0,0]=3 411 B5R1.3 NCC1CC1 OR1937 [1,0,0,1,0,0|1,0,0]=3 412 B5R1.3 O=CC1CC1 OR52083 [1,0,0,1,0,0|0,0,2]=4 413 B5R1.3 OCC1CC1 OR6507 [1,0,0,1,0,0|0,0,0]=2 414 B5R1.3 OCC1CO1 OR3778 [1,0,0,1,0,0|1,0,0]=3 415 B5R1.3 OC[C@@H]1CO1 OR70065 [1,0,0,1,0,0|1,0,0]=3 416 B5R1.3 OC[C@H]1CO1 OR42180 [1,0,0,1,0,0|1,0,0]=3 417 B5R1.5 CC1(C)CN1 OR303021 [1,0,0,1,0,0|1,0,0]=3 418 B5R1.5 CC1(N)CC1 OR16691 [1,0,0,1,0,0|1,0,0]=3 419 B5R1.1 C1=CCCC1 OR10096 [1,0,0,1,0,0|1,0,1]=4 420 B5R1.1 C1=CCOC1 OR5462 [1,0,0,1,0,0|0,0,2]=4 421 B5R1.1 C1=COCC1 OR2896 [1,0,0,1,0,0|0,0,2]=4 422 B5R1.1 C1=NCCO1 OR305316 [1,0,0,1,0,0|1,0,1]=4 423 B5R1.1 C1CCCC1 OR61603 [1,0,0,1,0,0|1,0,0]=3 424 B5R1.1 C1CCNC1 OR0971 [1,0,0,1,0,0|1,0,0]=3 425 B5R1.1 C1CCOC1 OR30761S [1,0,0,1,0,0|0,0,0]=2 426 B5R1.1 C1CNOC1 OR55263 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.1 BrCC1CCCC1 OR18584 [0,1,0,1,0,0|1,0,0]=3 428 B7R1.1 BrCC1CCCO1 OR23265 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.1 COC1CCCC1 OR55202 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.1 CO[C@@H]1CCNC1 OR451217 [0,1,0,1,0,0|1,0,0]=3 431 B7R1.1 ICC1CCCC1 OR16976 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.1 N#CC1CCNC1 OR55107 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.1 NCC1CCCO1 OR10076 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.1 NCC1CCOC1 OR17201 [0,1,0,1,0,0|0,0,0]=2 435 B7R1.1 NC[C@H]1CCCN1 OR307046 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.1 NNC1CCCC1 OR5640 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.1 O=CC1CCCC1 OR16978 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.1 OCC1CCCC1 OR46003 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.1 OCC1CCCN1 OR13968 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.1 OCC1CCNC1 OR309156 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.1 OCC1CCOC1 OR322139 [0,1,0,1,0,0|0,0,0]=2 442 B7R1.1 OC[C@@H]1CCCN1 OR5872 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.1 OC[C@@H]1CCNC1 OR309158 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.1 OC[C@H]1CCCN1 OR14514 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.1 OC[C@H]1CCNC1 OR309159 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.2 CC1CCC(C)N1 OR014993 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.2 CC1CCC(C)N1 OR2880 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.2 CN1CCC(O)C1 OR5467 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.2 CN1CC[C@@H](N)C1 OR308141 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.2 CN1CC[C@H](N)C1 OR308140 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,1,0,1,0,0|1,0,1]=4 455 B7R1.2 N[C@H]1CC[C@@H](O)C1 OR61072 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.3 BrC1CCOCC1 OR19531 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.3 CC1=CCCCC1 OR7135 [0,1,0,1,0,0|1,0,1]=4 460 B7R1.3 CC1CCCCN1 OR8797 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.3 CC1CCCNC1 OR5090 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.3 CC1CCNCC1 OR8800 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.3 CC1CCOCO1 OR10967 [0,1,0,1,0,0|0,0,0]=2 464 B7R1.3 CC1CNCCN1 OR4860 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.3 CC1CNCCO1 OR301073 [0,1,0,1,0,0|1,0,0]=3 466 B7R1.3 CC1COCCN1 OR41010 [0,1,0,1,0,0|0,0,0]=2 467 B7R1.3 CN1CCCCC1 OR13633 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.3 CN1CCNCC1 OR18370 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.3 CN1CCOCC1 OR16938 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.3 C[C@@H]1CCCCN1 OR313055 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.3 C[C@@H]1CNCCN1 OR5889 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.3 C[C@@H]1CNCCO1 OR70093 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.3 C[C@@H]1COCCN1 OR17129 [0,1,0,1,0,0|0,0,0]=2 474 B7R1.3 C[C@@H]1COCCN1 OR308175 [0,1,0,1,0,0|0,0,0]=2 475 B7R1.3 C[C@H]1CNCCN1 OR5877 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.3 C[C@H]1CNCCO1 OR308176 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.3 C[C@H]1CNCCO1 OR45132 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.3 C[C@H]1COCCN1 OR308174 [0,1,0,1,0,0|0,0,0]=2 479 B7R1.3 IC1CCOCC1 OR9693 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.3 NC1CCCNC1 OR6131 [0,1,0,1,0,0|2,0,0]=4 481 B7R1.3 NC1CCCOC1 OR52254 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.3 NC1CCCOC1 OR70184 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.3 NC1CCNCC1 OR4858 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.3 NC1CCOCC1 OR10342 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.3 NC1CCOCC1 OR10342S [0,1,0,1,0,0|1,0,0]=3 486 B7R1.3 NC1CCOCC1 OR10343 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.3 NC1CCSCC1 OR8412 [0,1,0,1,0,0|1,1,0]=4 488 B7R1.3 NN1CCOCC1 OR18291 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.3 N[C@@H]1CCCNC1 OR4587 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.3 N[C@H]1CCCNC1 OR4585 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.3 O=C1CCCOC1 OR301349 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.3 O=C1CCOCC1 OR9280 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.3 O=C1COCCN1 OR301177 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.3 OC1CCCNC1 OR350185 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.3 OC1CCCOC1 OR46583 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.3 OC1CCNCC1 OR9943 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.3 OC1CCOCC1 OR14305 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.3 O[C@@H]1CCCNC1 OR4578 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.3 O[C@H]1CCCNC1 OR4577 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.3 SC1CCCCC1 OR5294 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.4 CC1CCOC1=O OR55456 [0,1,0,1,0,0|0,0,1]=3 502 B7R1.4 CC1OCCC1=O OR28730 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.4 NC1CCOC1=O OR5100 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307606 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307607 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307678 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.4 N[C@@H]1COC[C@@H]1O OR307686 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.4 N[C@H]1CCOC1=O OR54538 [0,1,0,1,0,0|1,0,1]=4 509 B7R1.4 O=C1OCCC1Br OR5280 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.4 O=C1OCC[C@@H]1O OR315288 [0,1,0,1,0,0|1,0,1]=4 511 B7R1.4 O=C1OCC[C@H]1O OR315289 [0,1,0,1,0,0|1,0,1]=4 512 B7R1.4 O[C@@H]1CNC[C@H]1O OR55391 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.4 O[C@@H]1CNC[C@H]1O OR55392 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.4 O[C@H]1COC[C@@H]1O OR8886 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.6 CCNC1COC1 OR312181 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.6 COCC1CNC1 OR309003 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.6 ClCCN1CCC1 OR0988 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.6 NCCN1CCC1 OR54542 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.6 OCCC1COC1 OR309064 [0,1,0,1,0,0|0,0,0]=2 520 B7R1.10 C=C1CC(CN)C1 OR6220 [0,1,0,1,0,0|1,0,1]=4 521 B7R1.10 CN1CC(CN)C1 OR308029 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.10 CNC1CN(C)C1 OR317230 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.10 COC1CC(N)C1 OR317064 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.10 CO[C@H]1C[C@@H](Br)C1 OR55390 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.10 NCC1CC(O)C1 OR317061 [0,1,0,1,0,0|0,0,0]=2 526 B7R1.10 NC[C@H]1C[C@@H](O)C1 OR308088 [0,1,0,1,0,0|0,0,0]=2 527 B7R1.10 NC[C@H]1C[C@H](O)C1 OR317067 [0,1,0,1,0,0|0,0,0]=2 528 B7R1.10 N[C@H]1C[C@@H](CO)C1 OR308093 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.10 O=C1CC(CBr)C1 OR317135 [0,1,0,1,0,0|0,0,2]=4 530 B7R1.10 O=C1CC(CO)C1 OR308103 [0,1,0,1,0,0|0,0,2]=4 531 B7R1.10 O=C1CC(CO)N1 OR51994 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.10 OCC1CC(Cl)C1 OR54434 [0,1,0,1,0,0|1,0,0]=3 533 B7R1.21 CC1(CCO)N=N1 OR305595 [0,1,0,1,0,0|1,0,0]=3 534 B7R1.22 NC(CO)C1CC1 OR451109 [0,1,0,1,0,0|0,0,0]=2 535 B7R1.25 CC1(CBr)COC1 OR309052 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.25 CC1(CN)CCC1 OR317109 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.25 CC1(CO)CCO1 OR309085 [0,1,0,1,0,0|0,0,0]=2 538 B7R1.25 CC1(CO)CSC1 OR312064 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.25 COC1(C)CNC1 OR309010 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.25 NC1(CO)CCC1 OR317075 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.25 OCC1(O)CCC1 OR54527 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,1,0,1,0,0|0,0,1]=3 543 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,1,0,1,0,0|0,0,1]=3 544 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,1,0,1,0,0|1,0,1]=4 545 B7R1.16 CC1(N)CC(O)C1 OR51832 [0,1,0,1,0,0|0,0,0]=2 546 B7R1.16 C[C@]1(N)C[C@@H](O)C1 OR51826 [0,1,0,1,0,0|0,0,0]=2 547 B7R1.16 C[C@]1(O)C[C@@H](N)C1 OR317287 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.16 C[C@]1(O)C[C@H](N)C1 OR317286 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.20 O=C(O)CC1CC1 OR59893 [0,1,0,1,0,0|0,0,1]=3 550 B7R1.18 CN(C)C1CNC1 OR317171 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.23 OCC1CC1(Cl)Cl OR22120 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.7 CCCCC1CO1 OR17696 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.7 S=C=NCC1CC1 OR28489 [0,1,0,1,0,0|0,1,1]=4 554 B7R1.14 CC1(C)COCN1 OR54412 [0,1,0,1,0,0|1,0,0]=3 555 B7R1.14 CC1(N)CCCC1 OR52580 [0,1,0,1,0,0|1,0,0]=3 556 B7R1.26 CC(C)(C)C1CO1 OR925110 [0,1,0,1,0,0|0,0,0]=2 557 B7R2.13 C1CC2OC2C1 OR4849 [0,0,0,2,0,0|2,0,0]=4 558 B7R2.13 C1NCC2CC12 OR40404 [0,0,0,2,0,0|1,0,0]=3 559 B7R2.13 C1OCC2OC12 OR10868 [0,0,0,2,0,0|1,0,0]=3 560 B7R2.5 NC12CC(C1)C2 OR312073 [0,0,0,2,0,0|1,0,0]=3