0 B6R0.1 C=CC(O)CCN DY787899 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CC(CN)CCN DY791871 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CCCC(C)CBr DY112368 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCCC(O)CO NO20495 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCOC(=O)CC DY460554 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 COC(=N)CCCl DY799605 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 COC(=O)CCCl DY741043 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 COC(=O)CCN NO22266 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 N#CCC(O)CCl DY504207 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 N#CC[C@H](O)CCl NO22599 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 NCCC(O)CO DY608108 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 N\C(CCO)=N/O DY607623 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 O=C(CCl)NCO NO14580 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 OC(CBr)CCBr DY740743 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C=C(C)CCBr NO14513 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CC(C)=CCBr DY41900 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(C)=CCCl DY460578 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CC(C)CC=O NO11530 [1,0,0,0,0,0|0,0,2]=3 18 B5R0.1 CC(C)CCBr DY460632 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 CC(N)CCO NO22096 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CC(O)CON NO17735 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CCCC(C)O DY741013 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CN(C)CC=O DY558327 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CN(C)CC=O NO17734 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 CN(C)CCBr NO10949 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CN(C)CCCl NO14471 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CN(C)CCN NO18603 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CN(C)CCO NO11733 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 COCC(C)O NO20741 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 COC[C@@H](C)O NO20249 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 COC[C@H](C)N DY623421 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 COC[C@H](C)O NO20309 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 C[C@@H](N)CCO NO14355 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 C[C@H](N)CCO DY625189 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 C[C@H](N)CCO NO14356 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 C[C@H](O)CC#N DY625225 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 FCCC(F)F DY793407 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 PCCC(Cl)Cl DY527415 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.2 C=CCCCBr DY460284 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 CCC#CCC DY740797 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.2 CCCCCBr NO20657 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.2 CCCC[Mg]Cl DY567561 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCOCCBr NO21396 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CC\C=C\CO DY527871 [1,0,0,0,0,0|0,0,2]=3 45 B5R0.2 CNCCC#N NO22369 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CNCCCO NO14200 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.2 CNCCNC NO15116 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.2 COCCC#N NO22345 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 COCCCBr NO20649 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.2 COCCCO NO20039 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.2 COCCOC DY546591 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 CSCCCO DY557199 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.2 C\C=C\CCO DY799773 [1,0,0,0,0,0|0,0,2]=3 54 B5R0.2 FCCCCF DY822299 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 N#CCCCN DY548775 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 NCCCCBr NO14979 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 NCCCCN NO19906 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 OCCCCF DY822291 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.2 OC\C=C\CCl DY10262 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.3 C=C(CO)CO NO21689 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.3 C=CC(N)CO DY579231 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.3 C=C[C@H](O)CO DY625759 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.3 CCC(=O)OC DY460566 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 CCC(Br)C#N DY789951 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CCC(N)CO DY20718 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.3 CCC(N)CO DY741331 [1,0,0,0,0,0|1,0,0]=2 67 B5R0.3 CCC(O)CN DY519471 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.3 CCC(O)CO DY822703 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.3 CCN(O)CC DY551655 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.3 CC[C@@H](N)CO NO15119 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.3 CC[C@H](C)C#N DY822231 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.3 CC[C@H](N)CO DY10528 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.3 CC[C@H](O)CO NO15622 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.3 COC(=O)CO NO19433 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 CO[C@H](C)CN DY622119 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.3 CO[C@H](C)CN NO17733 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.3 CO[C@H](C)CO NO12306 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.3 NC(CO)CO NO18352 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.3 NCC(O)CN NO14232 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.3 NCC(O)CO NO18397 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.3 NC[C@@H](O)CO NO14832 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.3 NC[C@H](O)CCl DY427329 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.3 NC[C@H](O)CO DY20311 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.3 O=C(CO)CO NO11245 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 OC[C@@H](O)CCl NO15061 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.3 OC[C@H](O)CCl DY20314 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.2 CNC(C)CC(=O)O DY606375 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.2 NC[C@@H](F)C[PH](=O)O DY549963 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.3 C#CCC[C@H](N)CO DY516333 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.3 CCCCC(O)CO DY567525 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.3 CCCOC(C)CN DY605531 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.3 CCN(C)CCCO DY604490 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.3 NCC(Cl)CCCCl DY822547 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.5 CC(C)N(C)CCN DY604213 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.5 CCCC(C)C(C)=O DY740965 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.5 CN(C)C(=O)CCO DY606315 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.5 NC(CCO)C(=O)O NO13886 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.7 CCOC(=O)CCN NO14330 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.7 COCC(C)N=C=S DY794727 [0,1,0,0,0,0|1,1,1]=4 109 B7R0.7 COCC(N)COC NO21215 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.7 O=C(CCCl)CCCl NO19912 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.10 CCC(C)[C@H](N)C#N DY620666 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,1,0,0,0,0|0,0,0]=1 113 B7R0.10 COC(=O)C(F)CO NO17081 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.10 COC(=O)C(N)CO NO16785 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.10 COC(=O)[C@H](N)CO NO16778 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.10 O=C[C@H](O)[C@H](O)CO DY561741 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.10 OC(CBr)C(O)CBr DY523851 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.11 C[N+](C)(CF)CCO DY795621 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.12 CCN(CC)CCBr DY504939 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.12 CCN(CC)CCN DY21046 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.12 CCOC(CC)CN DY605537 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.12 COCC(OC)OC DY822270 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.1 BrCC1CCCC1 DY20145 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.1 C#CC1CCCC1 DY822738 [0,0,0,1,0,0|1,0,2]=4 128 B7R1.1 C#CC1CCOC1 DY103679 [0,0,0,1,0,0|0,0,2]=3 129 B7R1.1 CCC1CCCN1 DY738230 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.1 CCC1CCNC1 DY585732 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.1 CNC1CCCC1 DY757231 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.1 CNC1CCOC1 DY579885 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.1 COC1CCCC1 DY459258 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.1 COC1CCNC1 NO22350 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.1 N#C[C@H]1CCNC1 DY508184 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.1 NCC1CCCC1 NO14873 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.1 NCC1CCCN1 NO15469 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,0,0,1,0,0|1,0,0]=2 145 B7R1.1 NNC1CCCC1 DY543699 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.1 O=CC1CCCC1 DY21048 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 OCC1CC=CC1 NO20734 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.1 OCC1CCCC1 NO11185 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.1 OCC1CCCN1 DY556821 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.1 OCC1CCCN1 DY668415 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.1 OCC1CCCO1 DY20392 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.1 OCC1CCNC1 NO11284 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.1 OCC1CCNC1 NO16764 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.1 OCC1CCNC1 NO18341 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.2 CC1CCC(C)N1 DY585723 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.2 CN1CCC(=O)C1 NO20760 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.2 NC1CCC(O)C1 NO14798 [0,0,0,1,0,0|1,0,0]=2 169 B7R1.2 N[C@@H]1CC[C@@H](F)C1 DY519405 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,0,0,1,0,0|1,0,0]=2 171 B7R1.2 N[C@H]1CC[C@@H](F)C1 DY757213 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,0,0,1,0,0|1,0,0]=2 173 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,0,0,1,0,0|1,0,0]=2 174 B7R1.2 O=C1CC(O)CN1 NO14706 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.2 O[C@@H]1C=C[C@H](O)C1 DY547017 [0,0,0,1,0,0|1,0,2]=4 178 B7R1.3 BrC1=CCOCC1 DY543735 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.3 BrC1CCCCC1 NO11079 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 BrC1CCNCC1 NO18356 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 BrC1CCOCC1 NO18193 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.3 CC1CCCCN1 DY20418 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.3 CC1CNCCN1 NO13503 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.3 CC1CNCCO1 NO21692 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 CC1COCCN1 NO22371 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 CN1CC=CCC1 NO20742 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.3 CN1CCNCC1 DY20458 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.3 C[C@H]1COCCN1 DY20820 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.3 C[C@H]1COCCN1 NO22413 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.3 ClC1CCCOC1 DY586426 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.3 FC1CCNCC1 NO22845 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.3 IC1CCNCC1 DY638708 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 IC1CCOCC1 NO18194 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.3 NC1CCCNC1 NO22655 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.3 NC1CCOCC1 NO16997 [0,0,0,1,0,0|1,0,0]=2 205 B7R1.3 NC1CCSCC1 DY541371 [0,0,0,1,0,0|1,1,0]=3 206 B7R1.3 N[C@@H]1CCCNC1 NO17178 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.3 N[C@H]1CCCNC1 NO17182 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.3 O=C1CCOCC1 NO13380 [0,0,0,1,0,0|1,0,1]=3 210 B7R1.3 O=C1CCSCC1 NO18797 [0,0,0,1,0,0|1,1,1]=4 211 B7R1.3 O=S1CCCCC1 DY822282 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.3 O=S1CCNCC1 DY570699 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.3 OC1CCCNC1 NO22642 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.3 OC1CCCOC1 NO17782 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.3 OC1CCNCC1 NO22643 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.3 OC1CCOCC1 NO13929 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.3 OC1CCSCC1 NO12012 [0,0,0,1,0,0|1,1,0]=3 218 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.3 SC1CCOCC1 DY107026 [0,0,0,1,0,0|1,0,0]=2 221 B7R1.4 BrC1CCCC1Br DY585689 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.4 CC1CCCC1O DY757267 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.4 CC1CCOC1=O DY759320 [0,0,0,1,0,0|1,0,1]=3 224 B7R1.4 CC1OCCC1=O NO14135 [0,0,0,1,0,0|1,0,1]=3 225 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.4 NC1CCCC1O NO19404 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.4 N[C@H]1CCC[C@@H]1N DY620340 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.5 C=C1CC1CCO DY790953 [0,0,0,1,0,0|0,0,2]=3 238 B7R1.5 CC1CC1N=C=O DY121381 [0,0,0,1,0,0|1,0,2]=4 239 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [0,0,0,1,0,0|0,0,0]=1 240 B7R1.6 C=CCC1CNC1 DY586612 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.6 CCOC1CNC1 DY577479 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.6 OCCC1CCO1 DY551169 [0,0,0,1,0,0|1,0,0]=2 243 B7R1.8 CN1CCC1CN DY104666 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.8 NCC1CCC1F DY528009 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.9 C#C[C@@H]1C[C@H]1CO DY586040 [0,0,0,1,0,0|0,0,2]=3 246 B7R1.9 N#CC1CC1CO DY757663 [0,0,0,1,0,0|1,0,1]=3 247 B7R1.9 NCC1CC1CO DY528789 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.10 CN1CC(CBr)C1 DY106288 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,0,0,1,0,0|1,0,0]=2 251 B7R1.10 CSC1CC(O)C1 DY536265 [0,0,0,1,0,0|1,0,0]=2 252 B7R1.10 NCC1CC(=O)C1 DY522525 [0,0,0,1,0,0|1,0,2]=4 253 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,0,0,1,0,0|1,0,0]=2 254 B7R1.21 CCOC1(O)CC1 NO16017 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.21 NCCC1(O)CC1 DY576975 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.21 OCCC1(F)CC1 DY585233 [0,0,0,1,0,0|1,0,0]=2 257 B7R1.22 CCC(=O)C1CC1 DY566457 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.22 NCC(O)C1CC1 DY608201 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.22 NC[C@H](O)C1CC1 DY586263 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.25 CC1(CBr)COC1 NO22179 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.25 CC1(CCl)COC1 DY573177 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.25 CC1(CN)CNC1 DY586631 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.25 CC1(CN)COC1 NO22390 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.25 CC1(CO)COC1 NO16968 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.25 CC1(CS)COC1 DY115780 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.25 CCC1(O)CNC1 DY444268 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.25 NCC1(F)CCC1 DY577221 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.25 NCC1(N)CCC1 NO17914 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.25 NCC1(O)CCC1 NO12835 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.27 CCC1(C)ON1C DY549645 [0,0,0,1,0,0|3,0,0]=4 273 B4R0.1 CC(=O)CO NO11467 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CC(C)=NO NO10884 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 CC(C)CO DY740701 [2,0,0,0,0,0|0,0,0]=2 276 B4R0.1 CC(C)NN NO11525 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.1 CC(C)ON NO13668 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 CC(Cl)CCl DY822285 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 CC(N)CO NO21310 [2,0,0,0,0,0|1,0,0]=3 280 B4R0.1 CC(O)CCl DY586846 [2,0,0,0,0,0|1,0,0]=3 281 B4R0.1 CCB(O)O NO13979 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 CCC(C)I DY740911 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.1 C[C@@H](Cl)CO NO20251 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.1 C[C@@H](N)CN DY10147 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 C[C@@H](N)CO NO14182 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.1 C[C@@H](O)CCl DY20696 [2,0,0,0,0,0|1,0,0]=3 287 B4R0.1 C[C@@H](O)CO DY20330 [2,0,0,0,0,0|1,0,0]=3 288 B4R0.1 C[C@H](N)CN NO20323 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 C[C@H](N)CO DY624919 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.1 C[C@H](N)CO NO19476 [2,0,0,0,0,0|1,0,0]=3 291 B4R0.1 C[C@H](O)C#N DY822232 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.1 C[C@H](O)CCl DY20697 [2,0,0,0,0,0|1,0,0]=3 293 B4R0.1 C[C@H](O)CN NO14075 [2,0,0,0,0,0|1,0,0]=3 294 B4R0.1 OCC(F)F NO20974 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.2 BrCCCBr DY459264 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.2 C#CCCO DY580491 [2,0,0,0,0,0|0,0,2]=4 297 B4R0.2 CCCCBr DY460620 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.2 CCNCC NO11240 [2,0,0,0,0,0|1,0,0]=3 299 B4R0.2 CNCCBr DY584482 [2,0,0,0,0,0|2,0,0]=4 300 B4R0.2 CNCCO NO20910 [2,0,0,0,0,0|1,0,0]=3 301 B4R0.2 COCCBr DY578823 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.2 COCCN DY822486 [2,0,0,0,0,0|2,0,0]=4 303 B4R0.2 COCCO DY457570 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.2 CSCSC DY528795 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.2 FCCCF DY822298 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.2 ICCCI DY564171 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.2 NCCCBr NO22190 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.2 OCCCF DY822290 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.2 SCCCS DY740347 [2,0,0,0,0,0|1,1,0]=4 310 B4R0.2 [Li]CCCC DY790335 [2,0,0,0,0,0|1,0,0]=3 311 B6R0.2 CC(C)CB(O)O NO22276 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.2 CC(C)CC(C)N DY822361 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.2 CC(O)CN(C)C DY741373 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.2 CN(C)CC(=O)O NO13413 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.2 C[C@@H](N)CN(C)C DY550137 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.2 C[C@@H](O)CN(C)C DY585675 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.3 CC(C)C(=O)CCl DY740659 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.3 CC(C)[C@@H](N)CO NO22659 [1,1,0,0,0,0|0,0,0]=2 322 B6R0.3 CC(C)[C@H](N)CO NO17224 [1,1,0,0,0,0|0,0,0]=2 323 B6R0.3 CC(C)\C(N)=N\O DY574395 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.4 C=COCC(C)C DY822723 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.4 CC(C)CCCBr DY740443 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.4 CC(C)NCCN DY20461 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.4 CCCCC(C)O DY740779 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 CCCC[SiH](C)C DY500283 [1,1,0,0,0,0|1,1,0]=4 329 B6R0.4 CCNCC(C)C DY564723 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.4 CN(C)CCCBr NO22184 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.4 CN(C)CCCCl NO13505 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.4 CN(C)CCCCl NO14943 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.4 CNCCC(C)C DY543681 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.4 CNCCC(C)C DY553713 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.4 CNCCN(C)C NO11723 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.4 CNCCN(C)C NO15131 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.5 CC(C)(C)CC=O DY20142 [1,1,0,0,0,0|0,0,2]=4 338 B6R0.5 CC(C)(C)CCO NO21905 [1,1,0,0,0,0|0,0,0]=2 339 B6R0.5 CC(C)(O)CCBr NO15788 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.5 C[Si](C)(C)CCN DY789417 [1,1,0,0,0,0|1,1,0]=4 341 B6R0.5 C[Si](C)(C)CCO DY546735 [1,1,0,0,0,0|0,1,0]=3 342 B6R0.6 BrCCNCCBr NO11032 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.6 C#CCOCCO DY457828 [1,1,0,0,0,0|0,0,2]=4 344 B6R0.6 C=CCCCCCl DY427568 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.6 C=CCCCCO NO10397 [1,1,0,0,0,0|0,0,1]=3 346 B6R0.6 CC#CCCCO DY580533 [1,1,0,0,0,0|0,0,1]=3 347 B6R0.6 CCCCON=O DY461106 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.6 CCCCSCC DY740893 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.6 CCCOCCO DY740785 [1,1,0,0,0,0|0,0,0]=2 350 B6R0.6 CNCCCCBr DY741283 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.6 CNCCCCO DY554133 [1,1,0,0,0,0|0,0,0]=2 352 B6R0.6 COCCCCBr NO22933 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.6 COCCCCO DY741295 [1,1,0,0,0,0|0,0,0]=2 354 B6R0.6 COCCCOC DY792147 [1,1,0,0,0,0|1,0,0]=3 355 B6R0.6 ClCCCCCBr DY559653 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.6 ClCCNCCCl NO16038 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.6 FCCCCCBr NO14708 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.6 FCCCCCF DY822300 [1,1,0,0,0,0|1,0,0]=3 359 B6R0.6 N#CCCCCCl NO10359 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.6 NCCCCCN NO19074 [1,1,0,0,0,0|1,0,0]=3 361 B6R0.6 NCCNCCN DY740695 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.6 NCCNCCO DY506670 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.6 O=CCCCCBr DY510224 [1,1,0,0,0,0|0,0,2]=4 364 B6R0.6 OCCCCCCl NO14778 [1,1,0,0,0,0|0,0,0]=2 365 B6R0.6 OCCCCCF DY822292 [1,1,0,0,0,0|0,0,0]=2 366 B6R0.6 OCCCCCO NO20549 [1,1,0,0,0,0|0,0,0]=2 367 B6R0.6 OCCNCCCl DY544797 [1,1,0,0,0,0|1,0,0]=3 368 B6R0.8 C=CC(C)(N)CO DY500685 [1,1,0,0,0,0|0,0,2]=4 369 B6R0.8 CC(C)(C#N)CO NO13572 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.8 CC(C)(C=O)CO DY21089 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.8 CC(C)(CBr)CBr NO20516 [1,1,0,0,0,0|2,0,0]=4 372 B6R0.8 CC(C)(CN)CO NO22037 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.8 CC(C)(CO)CO DY514971 [1,1,0,0,0,0|1,0,0]=3 374 B6R0.8 CC(N)(C#N)CO DY512793 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.8 CCC(C)(N)C#N NO17000 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.8 CC[Sn](Cl)(Cl)CC DY575727 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.9 C=CC(CC)CO DY822489 [1,1,0,0,0,0|0,0,1]=3 378 B6R0.9 CCC(CN)OC DY610294 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.9 CC[O+](CC)CC DY794781 [1,1,0,0,0,0|1,0,0]=3 380 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O DY437802 [0,2,0,0,0,0|0,0,2]=4 381 B8R0.2 COC(C)C(Br)C(=O)O DY797457 [0,2,0,0,0,0|1,0,1]=4 382 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O DY740365 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.5 CCOC(=O)CC(C)O NO11353 [0,2,0,0,0,0|1,0,1]=4 384 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [0,2,0,0,0,0|1,0,1]=4 385 B8R0.16 CCC(CC)CB(O)O DY706123 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.16 CCN(CC)CC(C)O DY822860 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.19 CC(CO)NC(C)CO NO17166 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.19 CCN(C)CC(C)CN DY604863 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.19 CC[C@@H](O)C[C@H](O)CC DY571299 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,2,0,0,0,0|1,0,1]=4 391 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [0,2,0,0,0,0|0,0,1]=3 392 B8R0.24 CC(CP)CC(C)(C)C DY573147 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.34 CC(C)(CN)CC(=O)O DY578367 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.1 CCOC(=O)CCCO DY111642 [0,2,0,0,0,0|1,0,1]=4 395 B8R0.1 CN(CCO)CCCN DY795333 [0,2,0,0,0,0|1,0,0]=3 396 B8R0.1 CNCC(=O)NCCO DY741259 [0,2,0,0,0,0|1,0,1]=4 397 B8R0.3 CCN(C)C(C)CCN DY604545 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.3 CCOC(=O)C(N)CO DY439193 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.3 CCOC(=O)[C@@H](N)CO DY553761 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.3 CCOC(=O)[C@@H](N)CO NO17107 [0,2,0,0,0,0|1,0,1]=4 401 B8R0.3 CCOC(=O)[C@H](N)CO NO13449 [0,2,0,0,0,0|1,0,1]=4 402 B8R0.3 O=CC[C@H](O)[C@H](O)CO NO21863 [0,2,0,0,0,0|1,0,1]=4 403 B8R0.11 COC(CCC#N)OC NO18422 [0,2,0,0,0,0|2,0,0]=4 404 B8R0.14 OCC[C@H](O)C(F)(F)F DY625261 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.15 CCCC(CN)N(C)C DY605056 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.22 CCOC(CBr)OCC DY20525 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.22 CCOC(CO)OCC NO19208 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.30 CCNC(C)(C)CCO DY525453 [0,2,0,0,0,0|0,0,0]=2 409 B8R0.30 C[N+](C)(CCO)CCO DY822336 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.20 CCN(CC)C(=O)CO DY552687 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.31 CCC(O)(CC)CCO DY572211 [0,2,0,0,0,0|0,0,0]=2 412 B6R1.2 BrC1CCNC1 NO15742 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.2 CC1CCCN1 NO21699 [1,0,0,1,0,0|2,0,0]=4 414 B6R1.2 CC1CCCN1 NO21700 [1,0,0,1,0,0|2,0,0]=4 415 B6R1.2 CC1CCCO1 DY20580 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.2 CC1CCNC1 DY667237 [1,0,0,1,0,0|1,0,0]=3 417 B6R1.2 C[C@@H]1CCCN1 NO18299 [1,0,0,1,0,0|2,0,0]=4 418 B6R1.2 C[C@H]1CCCN1 NO18800 [1,0,0,1,0,0|2,0,0]=4 419 B6R1.2 C[C@H]1CCCN1 NO19735 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.2 FC1CCNC1 NO12894 [1,0,0,1,0,0|2,0,0]=4 421 B6R1.2 F[C@H]1CCNC1 NO14870 [1,0,0,1,0,0|2,0,0]=4 422 B6R1.2 NC1CCNC1 DY572169 [1,0,0,1,0,0|2,0,0]=4 423 B6R1.2 NC1CCOC1 NO12010 [1,0,0,1,0,0|1,0,0]=3 424 B6R1.2 N[C@@H]1CCOC1 DY623409 [1,0,0,1,0,0|1,0,0]=3 425 B6R1.2 N[C@@H]1CCOC1 NO13003 [1,0,0,1,0,0|1,0,0]=3 426 B6R1.2 N[C@H]1CCNC1 DY508670 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.2 N[C@H]1CCOC1 DY626689 [1,0,0,1,0,0|1,0,0]=3 428 B6R1.2 N[C@H]1CCOC1 NO20366 [1,0,0,1,0,0|1,0,0]=3 429 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,1,0,0|1,0,1]=4 430 B6R1.2 O[C@@H]1CCNC1 NO16635 [1,0,0,1,0,0|2,0,0]=4 431 B6R1.2 O[C@@H]1CCNC1 NO16650 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.2 O[C@@H]1CCOC1 NO20284 [1,0,0,1,0,0|1,0,0]=3 433 B6R1.2 O[C@@H]1CNOC1 DY549543 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.2 O[C@H]1CCNC1 NO21757 [1,0,0,1,0,0|2,0,0]=4 435 B6R1.2 SC1CCOC1 DY789441 [1,0,0,1,0,0|1,0,0]=3 436 B6R1.3 ICCC1CC1 DY549405 [1,0,0,1,0,0|1,0,0]=3 437 B6R1.3 N#CCC1CC1 DY433947 [1,0,0,1,0,0|1,0,1]=4 438 B6R1.3 NNCC1CC1 DY509474 [1,0,0,1,0,0|2,0,0]=4 439 B6R1.3 NNCC1CC1 DY586553 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.3 OCCN1CC1 DY505047 [1,0,0,1,0,0|1,0,0]=3 441 B6R1.5 CC1CC(N)C1 DY105778 [1,0,0,1,0,0|1,0,0]=3 442 B6R1.5 CC1CC(O)C1 DY539301 [1,0,0,1,0,0|0,0,0]=2 443 B6R1.5 CN1CC(N)C1 DY444125 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.5 NC1CC(N)C1 DY103595 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [1,0,0,1,0,0|1,0,0]=3 446 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [1,0,0,1,0,0|1,0,0]=3 447 B6R1.8 OCC1C[C@@H]1F DY102848 [1,0,0,1,0,0|1,0,0]=3 448 B6R1.11 CC(C)C1CO1 DY791517 [1,0,0,1,0,0|0,0,0]=2 449 B6R1.11 CC(N)C1CC1 DY528885 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.11 CC(O)C1CC1 DY757429 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.11 C[C@H](N)C1CC1 DY623903 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.1 C1=COCCC1 DY20500 [1,0,0,1,0,0|0,0,2]=4 453 B6R1.1 C1CCNCC1 DY822173 [1,0,0,1,0,0|1,0,0]=3 454 B6R1.1 C1CCNNC1 DY586554 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.1 C1CCNNC1 NO17893 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.1 C1CCSCC1 DY822278 [1,0,0,1,0,0|0,1,0]=3 457 B6R1.1 C1CNCOC1 DY524601 [1,0,0,1,0,0|1,0,0]=3 458 B6R1.1 C1COCCN1 DY20726 [1,0,0,1,0,0|1,0,0]=3 459 B6R1.1 C1COCOC1 DY822672 [1,0,0,1,0,0|1,0,0]=3 460 B6R1.1 C1CSCCN1 DY20759 [1,0,0,1,0,0|1,1,0]=4 461 B6R1.4 CC1OCC1N DY732961 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [1,0,0,1,0,0|1,0,0]=3 463 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [1,0,0,1,0,0|1,0,0]=3 464 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [1,0,0,1,0,0|1,0,0]=3 465 B6R1.6 BrCC1CCC1 DY10470 [1,0,0,1,0,0|1,0,0]=3 466 B6R1.6 NCC1CCC1 DY554907 [1,0,0,1,0,0|1,0,0]=3 467 B6R1.6 NCC1CCC1 NO11178 [1,0,0,1,0,0|1,0,0]=3 468 B6R1.6 NCC1CCS1 DY585795 [1,0,0,1,0,0|1,1,0]=4 469 B6R1.6 NCC1CNC1 DY508838 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.6 NCC1COC1 DY10517 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.6 NNC1CCC1 DY527943 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.6 OCC1CCO1 NO15009 [1,0,0,1,0,0|1,0,0]=3 473 B6R1.6 OCC1CNC1 NO12891 [1,0,0,1,0,0|1,0,0]=3 474 B6R1.6 OCC1COC1 NO14670 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.6 OC[C@@H]1CCN1 NO15230 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.7 CCC1(N)CC1 DY586551 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.7 C[C@@]1(CO)CO1 DY575949 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.7 NC1(CO)CC1 NO13349 [1,0,0,1,0,0|1,0,0]=3 479 B6R1.7 NCC1(O)CC1 NO20441 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.1 CCC1COC(=O)N1 DY607707 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.1 CCN1CC[C@@H](N)C1 DY516273 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.1 CCN1CC[C@@H](N)C1 DY570393 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.1 CN1CC[C@H](CN)C1 DY104144 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.1 CO[C@@H]1C=C[C@@H](O)C1 DY585333 [0,1,0,1,0,0|0,0,2]=4 485 B8R1.1 C[C@@H]1CN[C@H](CO)C1 DY620034 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,1,0,1,0,0|0,0,0]=2 487 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,1,0,1,0,0|1,0,1]=4 488 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.1 OCC1CC(O)CO1 DY759500 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 NO20184 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.1 OC[C@H]1C[C@@H](O)CN1 DY664628 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.4 CC1=CC(C)OCC1 DY560031 [0,1,0,1,0,0|0,0,1]=3 495 B8R1.4 CC1CCCN(N)C1 DY774663 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.4 CC1CCNC(C)C1 NO21125 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.4 CC1CNCC(C)C1 NO14191 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.4 CC1CNCC(C)N1 NO18625 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.4 CC1CSCC(C)N1 DY738722 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,1,0,1,0,0|0,0,2]=4 502 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [0,1,0,1,0,0|0,0,0]=2 503 B8R1.4 C[C@H]1CNC[C@@H](C)N1 NO21187 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.4 C[C@H]1CNC[C@@H](C)O1 DY459894 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.4 C[C@H]1CNC[C@H](C)N1 DY103637 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [0,1,0,1,0,0|0,0,0]=2 507 B8R1.4 NC1CCCC(O)C1 NO17342 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.4 NC1CCCC(O)C1 NO18558 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.4 NN1CCCC(O)C1 DY775186 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.4 N[C@H]1CCC[C@@H](N)C1 DY525135 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.4 N[C@H]1CCC[C@@H](N)C1 DY545481 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.4 N[C@H]1CCC[C@@H](N)C1 NO17066 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.4 N[C@H]1CCC[C@H](F)C1 DY586540 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.4 N[C@H]1CCC[C@H](O)C1 DY513927 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.18 CN1CC(N)C(O)C1 DY586575 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 DY586574 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 DY586576 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.18 CN1C[C@H](N)[C@@H](O)C1 DY586572 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.18 CN1C[C@H](N)[C@H](O)C1 DY538791 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.18 CN1C[C@H](N)[C@H](O)C1 DY586573 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.18 CN1C[C@H](N)[C@H](O)C1 DY586625 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.18 CN1C[C@H](O)[C@H](N)C1 DY586571 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,1,0,1,0,0|0,0,1]=3 525 B8R1.34 O=C(O)CC1CCN1 DY584158 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.34 O=C(O)CN1CCC1 DY719380 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.42 O=C(O)CC1(O)CC1 DY580923 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,1,0,1,0,0|0,0,1]=3 529 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,1,0,1,0,0|0,0,1]=3 530 B8R1.51 NC1CCC(F)(F)C1 DY102031 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.53 CC1(O)CC(CN)C1 DY104882 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.53 CC1(O)CC(CN)C1 DY583991 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.53 CNC1CC(F)(F)C1 DY721669 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.62 NC1(CO)CC(F)C1 DY104684 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [0,1,0,1,0,0|0,0,1]=3 536 B8R1.2 BrCC1CCCCC1 NO19887 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.2 BrCC1CCNCC1 DY586644 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.2 BrCC1CCOCC1 DY514587 [0,1,0,1,0,0|0,0,0]=2 539 B8R1.2 BrC[C@@H]1COCCO1 DY585231 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.2 Br[Zn]C1CCCCC1 DY121343 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.2 C#CC1CCCOC1 DY104582 [0,1,0,1,0,0|0,0,2]=4 542 B8R1.2 CCC1CCNCC1 DY602027 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.2 CCC1CNCCO1 DY731791 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.2 CCN1CCNCC1 NO20680 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.2 CC[C@@H]1CCCCN1 DY622095 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.2 CC[C@@H]1CNCCO1 DY444035 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.2 CC[C@@H]1COCCN1 DY20812 [0,1,0,1,0,0|0,0,0]=2 548 B8R1.2 CC[C@H]1CCCCN1 DY624979 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.2 CNC1CCNCC1 DY512505 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.2 CNC1CCNCC1 DY641666 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.2 CNC1CCOCC1 NO15192 [0,1,0,1,0,0|0,0,0]=2 552 B8R1.2 ClCC1CCCCC1 DY788085 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.2 ClCC1CCCOC1 DY585697 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.2 FC[C@@H]1CCCCN1 DY586647 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.2 ICC1CCCCN1 DY635594 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.2 N#CC1CCOCC1 NO12562 [0,1,0,1,0,0|0,0,1]=3 557 B8R1.2 N#CC1COCCN1 DY732613 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.2 N#C[C@H]1COCCN1 DY625945 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.2 NCC1CCCCC1 DY20908 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.2 NCC1CCCNC1 DY568713 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.2 NCC1CCCNC1 DY641787 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.2 NCC1CCCOC1 NO18439 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.2 NCC1CCOCC1 NO18584 [0,1,0,1,0,0|0,0,0]=2 564 B8R1.2 NCC1CCSCC1 DY102976 [0,1,0,1,0,0|0,1,0]=3 565 B8R1.2 NCC1CNCCN1 DY517005 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.2 NCC1COCCN1 DY580905 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.2 NC[C@H]1CCCOC1 DY105501 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.2 NNC1CCCCC1 DY822741 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.2 NNC1CCNCC1 DY638690 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.2 NNC1CCOCC1 NO13041 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.2 NNC1CCOCC1 NO20368 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.2 O=CC1CCCCC1 DY20143 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.2 O=CC1CCCOC1 DY442323 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.2 O=CN1CCOCC1 NO11780 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.2 O=C[C@@H]1CCCOC1 DY585694 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.2 O=C[C@H]1CCCOC1 DY585690 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.2 OCC1CCCCC1 DY20144 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.2 OCC1CCCCN1 NO21780 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.2 OCC1CCCNC1 NO22817 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.2 OCC1CCNCC1 NO22819 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.2 OCC1CNCCO1 NO15312 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.2 OC[C@@H]1CNCCO1 NO14518 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.2 OC[C@@H]1COCCN1 DY539919 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.2 OC[C@@H]1COCCN1 NO15269 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.2 OC[C@H]1CCCNC1 NO15958 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.2 OC[C@H]1COCCN1 NO15280 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.2 ON=C1CCOCC1 DY563223 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,1,0,1,0,0|0,0,2]=4 589 B8R1.3 CC1CCC(O)CC1 DY562059 [0,1,0,1,0,0|0,0,0]=2 590 B8R1.3 CC1CCN(N)CC1 DY535737 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.3 CN1CCC(N)CC1 NO18628 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.3 CN1CCC(O)CC1 NO13491 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.3 C[C@H]1CC[C@@H](O)CN1 DY542115 [0,1,0,1,0,0|0,0,0]=2 596 B8R1.3 C[C@H]1CN[C@H](C)CN1 NO14078 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.3 C[C@H]1CO[C@@H](C)CN1 DY107002 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.3 C[C@H]1CO[C@H](C)CN1 DY620618 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.3 NC1CCC(O)CC1 DY585958 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.3 NC1CCC(O)CC1 NO18581 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.3 N[C@H]1CC[C@@H](N)CC1 DY20732 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.3 N[C@H]1CC[C@@H](O)CC1 NO15381 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.3 N[C@H]1CC[C@H](N)CC1 NO18629 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO12038 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO18592 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.3 N[C@H]1CC[S@H+]([O-])CC1 DY585300 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.3 O[C@H]1CC[C@@H](F)CC1 DY585400 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.5 BrC1CCCCC1Br NO20488 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.5 Br[C@@H]1CCCC[C@H]1Br DY756619 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.5 CC1CNCCC1O DY549411 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.5 C[C@@H]1COCC[C@@H]1N DY567579 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.5 C[C@H]1CCCC[C@H]1N DY540861 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.5 C[C@H]1CCNC[C@H]1O DY103745 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.5 NC1CCCCC1N DY756925 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.5 NC1CCCCC1N DY822566 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.5 NC1CCCCC1N DY822654 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.5 NC1CCOCC1F DY459065 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.5 N[C@@H]1CCCC[C@@H]1O NO12548 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.5 N[C@@H]1CCCC[C@H]1F DY586539 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.5 N[C@@H]1CCCC[C@H]1N DY507005 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.5 N[C@@H]1CCCC[C@H]1N DY538371 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.5 N[C@@H]1CCCC[C@H]1N DY564255 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.5 N[C@@H]1CCCC[C@H]1O DY584529 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.5 N[C@@H]1CCCC[C@H]1O NO12403 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.5 N[C@@H]1CCCC[C@H]1O NO18590 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.5 N[C@@H]1COCC[C@@H]1O DY529857 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.5 N[C@@H]1COCC[C@H]1O DY519045 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.5 N[C@H]1CCCC[C@@H]1O DY20824 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.5 N[C@H]1CCCC[C@@H]1O NO14928 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.5 N[C@H]1CCCC[C@H]1N DY620142 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.5 N[C@H]1CCCC[C@H]1O DY20710 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.5 N[C@H]1CCCC[C@H]1O NO12547 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.5 N[C@H]1CCOC[C@H]1F DY529293 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.5 N[C@H]1CCOC[C@H]1F DY535515 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.5 N[C@H]1CCOC[C@H]1O DY102103 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.5 N[C@H]1CCOC[C@H]1O DY621122 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.5 O=C1CCOCC1F DY458969 [0,1,0,1,0,0|1,0,1]=4 641 B8R1.5 OC1CNCCC1F DY638684 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.5 O[C@@H]1CCCC[C@H]1O NO12029 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.5 O[C@@H]1CCNC[C@H]1O DY116420 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.5 O[C@H]1CCNC[C@H]1F DY586636 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.5 O[C@H]1CNCC[C@H]1F DY621098 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.10 FCCOC1CNC1 DY719092 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.10 NCCCC1CNC1 DY586086 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.10 NCCOC1COC1 DY732937 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.10 OCCCC1COC1 DY732715 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.22 CC1CCOCCN1 DY685698 [0,1,0,1,0,0|0,0,0]=2 651 B8R1.22 FC1CCCCNC1 DY685529 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.22 NC1CCCCNC1 NO18624 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.22 O[C@H]1CCCCNC1 DY625519 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.22 O[C@H]1CCCOCC1 DY770757 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.38 CCC(=O)C1COC1 DY526161 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.38 CCC(O)C1COC1 DY526581 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.38 O=C(CBr)C1CCC1 DY742339 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.47 CCN1CC(CO)C1 DY585829 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.47 CO[C@H]1C[C@@H](CN)C1 DY538389 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.50 CN1CC[C@@H](O)C1=O DY563481 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.50 N[C@@H]1CC[C@H](O)[C@@H]1O DY608362 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.52 CC1(CBr)CCOC1 DY104228 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.52 CC1(CN)CCCC1 DY585763 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.52 CC1(CN)CCNC1 DY529341 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.52 CC1(CN)CCOC1 DY103499 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.52 CC1(CO)CCCO1 DY585353 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.52 CCC1(C)CCNC1 DY550311 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.52 CCC1(C)CCNC1 DY585216 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.52 CCC1(N)CCCC1 DY603592 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.52 NC1(CO)CCOC1 DY103469 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.52 NCC1(F)CCCC1 DY584015 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.52 NCC1(O)CCCC1 NO15390 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.52 OC1(CF)CCNC1 DY586652 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,1,0,1,0,0|1,0,1]=4 676 B8R1.7 CC(N)C1CCCO1 DY580113 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.7 CC(O)C1CCCC1 DY757207 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.7 CN(C)[C@@H]1CCNC1 DY517917 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.7 CN(C)[C@@H]1CCNC1 NO20281 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.7 CN(C)[C@H]1CCNC1 DY460866 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.19 CC1(C)CCCC1N DY540435 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.23 CC(C)N1CC(O)C1 DY444113 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.23 CC(N)[C@H]1C[C@@H](O)C1 DY756223 [0,1,0,1,0,0|0,0,0]=2 686 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,1,0,1,0,0|1,0,1]=4 688 B8R1.27 CCOC1CC1(C)C DY788847 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.6 CCCC1CC(=O)C1 DY561087 [0,1,0,1,0,0|0,0,2]=4 690 B8R1.6 CN1CC(CCBr)C1 DY585804 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.6 N#CC[C@H]1C[C@@H](O)C1 DY742027 [0,1,0,1,0,0|0,0,1]=3 692 B8R1.6 NCC[C@H]1C[C@@H](O)C1 DY608447 [0,1,0,1,0,0|0,0,0]=2 693 B8R1.8 BrCCC1OCCO1 NO18251 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.8 CNCC1CCOC1 DY537651 [0,1,0,1,0,0|0,0,0]=2 695 B8R1.8 CNCC1CCOC1 DY568737 [0,1,0,1,0,0|0,0,0]=2 696 B8R1.8 COCC1CCCN1 DY571095 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.8 COC[C@@H]1CCCN1 NO20310 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.8 COC[C@H]1CCNC1 DY522807 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.8 CSCC1CCNC1 DY585729 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.8 ClCCN1CCCC1 DY665330 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.8 ClCCN1CCCC1 DY738470 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.8 ClCCN1CCCC1 NO15769 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.8 N#CCC1CCCO1 DY759470 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.8 NCCC1OCCO1 DY758978 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.8 OCCC1CCNC1 DY666359 [0,1,0,1,0,0|0,0,0]=2 706 B8R1.11 CN1CCCC1CO NO14186 [0,1,0,1,0,0|1,0,0]=3 707 B8R1.11 CN1CCC[C@H]1CCl DY664952 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.11 CN1CCC[C@H]1CO NO22816 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.11 CO[C@@H]1COC[C@H]1N DY535695 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.11 CO[C@H]1CNC[C@H]1O DY555813 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.11 C[C@@H]1NCC[C@@H]1CO DY664706 [0,1,0,1,0,0|0,0,0]=2 712 B8R1.11 NC[C@H]1COC[C@H]1O DY529311 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.11 NN1CCC[C@H]1CO DY623433 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.66 OCCC1(O)COC1 DY530925 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.39 NC[C@@H](F)C1(O)CC1 DY586264 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.72 CC1(Br)CCCCC1 DY584406 [0,1,0,1,0,0|1,0,0]=3 717 B8R1.72 CC1(C)CCCNC1 DY510344 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.72 CC1(C)CCNCC1 DY586635 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.72 CC1(C)CCNCC1 NO13819 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.72 CC1(N)CCOCC1 NO14346 [0,1,0,1,0,0|0,0,0]=2 721 B8R1.72 CC1(O)CCOCC1 NO12641 [0,1,0,1,0,0|0,0,0]=2 722 B8R1.72 FC1(Br)CCCCC1 DY797283 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.72 FC1(F)CCNCC1 NO18259 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.72 OC1(O)CCNCC1 NO10106 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.82 CNCC1(CO)CC1 DY604261 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.82 N#CC1(CCO)CC1 DY534495 [0,1,0,1,0,0|0,0,1]=3 727 B8R1.82 N#CCC1(CBr)CC1 DY549537 [0,1,0,1,0,0|1,0,1]=4 728 B8R1.64 FC1CC1(CCl)CCl DY102958 [0,1,0,1,0,0|2,0,0]=4 729 B8R2.11 OC1C2CNCC12 DY686011 [0,0,0,2,0,0|2,0,0]=4 730 B8R2.11 OC1C2CNCC12 DY738446 [0,0,0,2,0,0|2,0,0]=4 731 B8R2.34 C1=CC2CCC1C2 NO11805 [0,0,0,2,0,0|1,0,1]=4 732 B8R2.34 C1CC2CCC1C2 DY753433 [0,0,0,2,0,0|1,0,0]=3 733 B8R2.34 C1CC2CCC1N2 NO10780 [0,0,0,2,0,0|2,0,0]=4 734 B8R2.34 C1C[C@H]2CC1CN2 DY620286 [0,0,0,2,0,0|1,0,0]=3 735 B8R2.34 C1NC2CNC1C2 DY566511 [0,0,0,2,0,0|2,0,0]=4 736 B8R2.34 C1NC2CNC1C2 DY685187 [0,0,0,2,0,0|2,0,0]=4 737 B8R2.34 C1O[C@@H]2CN[C@H]1C2 NO12565 [0,0,0,2,0,0|1,0,0]=3 738 B8R2.34 C1O[C@H]2CN[C@@H]1C2 DY103903 [0,0,0,2,0,0|1,0,0]=3 739 B8R2.55 C1CC2(CC2)CN1 DY534537 [0,0,0,2,0,0|1,0,0]=3 740 B8R2.1 C1CC1C2CNC2 DY585799 [0,0,0,2,0,0|2,0,0]=4 741 B8R2.1 C1C[C@H](C2CC2)N1 DY622089 [0,0,0,2,0,0|2,0,0]=4 742 B8R2.42 C1CC2(C1)CCN2 DY102079 [0,0,0,2,0,0|1,0,0]=3 743 B8R2.42 C1CC2(CNC2)O1 DY102331 [0,0,0,2,0,0|1,0,0]=3 744 B8R2.41 OC1(C2CC2)CC1 DY559503 [0,0,0,2,0,0|2,0,0]=4