0 B6R0.2 CC(=O)NC(C)C DY461094 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(C)=CC(=O)O NO14947 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.2 CC(C)=CC(N)=O DY795567 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.2 CC(C)CB(O)O NO22276 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.2 CC(C)CC(C)N DY822361 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.2 CC(O)CN(C)C DY741373 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CN(C)CC(=O)O NO13413 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.2 CP(C)CP(C)C DY565029 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 C[C@@H](N)CN(C)C DY550137 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.2 C[C@@H](O)CN(C)C DY585675 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.1 C=C(C)CCBr NO14513 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC#CC(=O)O DY20776 [1,0,0,0,0,0|0,0,2]=3 18 B5R0.1 CC(C)CC=O NO11530 [1,0,0,0,0,0|0,0,0]=1 19 B5R0.1 CC(C)CCBr DY460632 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CC(N)CCO NO22096 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CC(O)CON NO17735 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CCCB(O)O NO14802 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CCCC(=O)[O-] DY822775 [1,0,0,0,0,0|0,0,1]=2 24 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCCC(C)O DY741013 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CCNC(C)=O DY564051 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CCOC(C)=N DY500026 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CCSC(=N)N DY505011 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CN(C)CC=O DY558327 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 CN(C)CC=O NO17734 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CN(C)CCBr NO10949 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CN(C)CCCl NO14471 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CN(C)CCN NO18603 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CN(C)CCO NO11733 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.1 CNCC(=O)O NO18595 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 COCC(=N)N DY535605 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 COCC(=O)O NO11579 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.1 COCC(C)O NO20741 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 COC[C@@H](C)O NO20249 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 COC[C@H](C)N DY623421 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 COC[C@H](C)O NO20309 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CSCC(=N)N DY504363 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CSCC(=O)O DY543879 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 CSCC(N)=O NO12608 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 C[C@@H](N)CCO NO14355 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 C[C@H](N)CCO DY625189 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 C[C@H](N)CCO NO14356 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 C[C@H](O)CC#N DY625225 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 C\C=C\C(=O)O DY41882 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 N#CCC(=O)Cl DY740377 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 N#CCC(N)=O NO18594 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 NCCC(=O)O NO13499 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 O=C(O)OCCl DY523719 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.2 CC(C)CC(=O)CN DY540483 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.2 CC(C)NC(=O)CN DY605375 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.2 CC(C)OC(=O)CO NO11522 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.2 CN(C)CC(N)CO DY533205 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.2 CN(C)CC(O)CO NO15349 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.2 CNC(=O)CC(=O)O DY604593 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.2 CNC(C)CC(=O)O DY606375 [0,1,0,0,0,0|0,0,0]=1 68 B7R0.2 COC(=O)CC(=O)O NO13436 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.2 COC(=O)CC(=O)[O-] DY41937 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.2 COC(=O)CC(N)=O DY557829 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.2 COC(=O)\C=C(/C)F DY822490 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.2 COC(=O)\C=C(/C)N NO13690 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.2 C\C(C=O)=C/N(C)C NO22267 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.2 NC[C@@H](F)C[PH](=O)O DY549963 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.9 CC(=O)CC(C)(C)O DY740611 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.9 CC(C)(C)CC(=O)Cl DY568221 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.9 CC(C)(C)CC(=O)O NO22814 [0,1,0,0,0,0|0,0,0]=1 83 B7R0.9 CC(C)(C)OC(N)=O NO11993 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.9 CC(C)(N)CC(=O)O NO14805 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.9 CC(C)(N)CC(=O)O NO17039 [0,1,0,0,0,0|0,0,0]=1 86 B7R0.9 CC(C)(O)CC(=O)[O-] DY791319 [0,1,0,0,0,0|0,0,1]=2 87 B7R0.9 CN(C)CC(C)(C)O DY41894 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.9 C[N+](C)(C)CC(=O)O DY562113 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.16 CC(=O)C(=O)C(C)Br DY822550 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.16 CC(=O)C(C)C(C)=O DY572943 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.16 CC(=O)C(Cl)C(C)=O DY461118 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [0,1,0,0,0,0|1,0,1]=3 93 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.16 CC(C)C(=O)C(=O)[O-] NO22357 [0,1,0,0,0,0|0,0,2]=3 95 B7R0.16 CC(C)C(N)C(C)C NO17730 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,1,0,0,0,0|0,0,0]=1 98 B7R0.16 CN(C)C(=O)C(=O)O NO11735 [0,1,0,0,0,0|1,0,1]=3 99 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O DY438202 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [0,1,0,0,0,0|1,0,0]=2 104 B7R0.16 O=C(O)C(=O)C(Br)Br NO18490 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.2 CN1CCC(=O)C1 NO20760 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.2 NC1CCC(O)C1 NO14798 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.2 O=C1CC(O)CN1 NO14706 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.12 C[C@H]1C[C@H]1B(O)O DY705817 [0,0,0,1,0,0|1,0,1]=3 128 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.16 C[C@]1(N)C[C@@H](O)C1 DY103487 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.16 NC1CS(=O)(=O)C1 DY577347 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.20 N=C(N)NC1CC1 DY608746 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [0,0,0,1,0,0|1,0,0]=2 135 B5R0.5 C=C(C)C(=O)O DY740707 [0,0,0,0,1,0|0,0,2]=3 136 B5R0.5 CC(=O)C(C)C DY740329 [0,0,0,0,1,0|1,0,0]=2 137 B5R0.5 CC(=O)C(C)Cl DY740749 [0,0,0,0,1,0|2,0,0]=3 138 B5R0.5 CC(C)B(O)O DY454222 [0,0,0,0,1,0|1,0,1]=3 139 B5R0.5 CC(C)C(N)=O NO21696 [0,0,0,0,1,0|1,0,0]=2 140 B5R0.5 CC(O)C(N)=O DY538347 [0,0,0,0,1,0|2,0,0]=3 141 B5R0.5 CN(C)C(=S)[S-] DY822456 [0,0,0,0,1,0|1,2,0]=4 142 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [0,0,0,0,1,0|1,0,0]=2 143 B5R0.5 C[C@@H](N)C(N)=O NO15732 [0,0,0,0,1,0|2,0,0]=3 144 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [0,0,0,0,1,0|1,0,1]=3 145 B5R0.5 C[C@H](Br)C(=O)O DY20444 [0,0,0,0,1,0|1,0,0]=2 146 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [0,0,0,0,1,0|1,0,0]=2 147 B5R0.5 C[C@H](N)C(=O)O NO19143 [0,0,0,0,1,0|1,0,0]=2 148 B5R0.5 C[C@H](N)C(=O)S DY572427 [0,0,0,0,1,0|1,1,0]=3 149 B5R0.5 C[C@H](N)C(N)=O NO22529 [0,0,0,0,1,0|2,0,0]=3 150 B5R0.5 C[C@H](O)C(N)=O DY624997 [0,0,0,0,1,0|2,0,0]=3 151 B5R0.5 O=C(Cl)C(F)Cl DY794697 [0,0,0,0,1,0|3,0,0]=4 152 B5R0.5 O=C(O)C(=O)O DY563517 [0,0,0,0,1,0|2,0,1]=4 153 B5R0.5 O=C(O)C(=O)O DY822364 [0,0,0,0,1,0|2,0,1]=4 154 B5R0.5 O=C(O)C(=O)O NO11387 [0,0,0,0,1,0|2,0,1]=4 155 B5R0.5 O=C(O)C(Cl)Cl DY740833 [0,0,0,0,1,0|2,0,0]=3 156 B5R0.5 O=C([O-])C(=O)O DY822607 [0,0,0,0,1,0|2,0,1]=4 157 B5R0.5 O=C([O-])C(Cl)Cl DY21032 [0,0,0,0,1,0|2,0,1]=4 158 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [0,0,0,0,1,0|1,0,0]=2 159 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,0,0,0,0,1|0,0,2]=3 160 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,0,0,0,0,1|1,0,1]=3 161 B7R0.6 CC(=O)NCC(=O)O NO19131 [0,0,0,0,0,1|1,0,1]=3 162 B7R0.6 CC(=O)SCC(=O)O DY447723 [0,0,0,0,0,1|1,0,1]=3 163 B7R0.6 CC(C)CCC(=N)N DY611066 [0,0,0,0,0,1|2,0,0]=3 164 B7R0.6 CN(C)CCC(=O)O NO12169 [0,0,0,0,0,1|1,0,0]=2 165 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,0,0,0,0,1|2,0,1]=4 166 B7R0.6 N=C(N)NCC(=O)O DY550479 [0,0,0,0,0,1|2,0,1]=4 167 B4R0.1 CC(=O)CBr DY20986 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 CC(=O)CN NO10921 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.1 CC(=O)CO NO11467 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 CC(C)=NO NO10884 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.1 CC(C)CO DY740701 [2,0,0,0,0,0|0,0,0]=2 172 B4R0.1 CC(C)NN NO11525 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 CC(C)ON NO13668 [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 CC(Cl)CCl DY822285 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 CC(N)CO NO21310 [2,0,0,0,0,0|1,0,0]=3 176 B4R0.1 CC(O)CCl DY586846 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 CCB(O)O NO13979 [2,0,0,0,0,0|1,0,1]=4 178 B4R0.1 CCC(C)I DY740911 [2,0,0,0,0,0|1,0,1]=4 179 B4R0.1 CCC(N)=O NO11886 [2,0,0,0,0,0|1,0,0]=3 180 B4R0.1 COC(N)=O NO11667 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.1 C[C@@H](Cl)CO NO20251 [2,0,0,0,0,0|1,0,0]=3 182 B4R0.1 C[C@@H](N)CN DY10147 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 C[C@@H](N)CO NO14182 [2,0,0,0,0,0|1,0,0]=3 184 B4R0.1 C[C@@H](O)CCl DY20696 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 C[C@@H](O)CO DY20330 [2,0,0,0,0,0|1,0,0]=3 186 B4R0.1 C[C@H](N)CN NO20323 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.1 C[C@H](N)CO DY624919 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.1 C[C@H](N)CO NO19476 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.1 C[C@H](O)CCl DY20697 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.1 C[C@H](O)CN NO14075 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 NC(=O)CBr NO21389 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.1 NC(=O)CS DY570543 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.1 NCC(=O)O NO19951 [2,0,0,0,0,0|1,0,0]=3 194 B4R0.1 NCC(=O)[O-] DY20522 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.1 NCC(=O)[O-] DY795873 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.1 NCC(=O)[O-] NO10910 [2,0,0,0,0,0|1,0,1]=4 197 B4R0.1 NCC(N)=O NO13806 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.1 O=C(Br)CBr DY796737 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.1 O=C(Cl)CBr DY21000 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.1 O=C(O)CO NO19334 [2,0,0,0,0,0|1,0,0]=3 201 B4R0.1 O=C([O-])CS DY822459 [2,0,0,0,0,0|1,0,1]=4 202 B4R0.1 OCC(F)F NO20974 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.2 C=CCCN DY740341 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.2 CCCCBr DY460620 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.2 CNCCO NO20910 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.2 COCC=O DY740317 [2,0,0,0,0,0|1,0,0]=3 207 B4R0.2 COCCO DY457570 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.2 OCCCF DY822290 [2,0,0,0,0,0|1,0,1]=4 209 B4R0.2 [Li]CCCC DY790335 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.1 CC(CN)CCN DY791871 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.1 CCCC(=O)NN NO22544 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.1 CCCC(C)CBr DY112368 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.1 CCCC(O)CO NO20495 [1,1,0,0,0,0|0,0,2]=4 214 B6R0.1 CCNC(=O)CN DY461322 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.1 CCOC(=O)CC DY460554 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.1 CCOC(=O)CN DY700831 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.1 CCOC(=O)CN NO15347 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.1 CCOC(=O)CO NO11386 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.1 CCOC(=O)NN NO11383 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.1 COC(=N)CCCl DY799605 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.1 COC(=O)CC=O DY740485 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.1 COC(=O)CCCl DY741043 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.1 COC(=O)CCN NO22266 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.1 COC(=O)CSC DY460536 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.1 COCC(=O)NN NO11580 [1,1,0,0,0,0|2,0,0]=4 226 B6R0.1 N\C(CCO)=N/O DY607623 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.3 C=CC(C)C(=O)O DY559155 [1,1,0,0,0,0|0,0,2]=4 228 B6R0.3 C=CC(O)C(=O)O DY586439 [1,1,0,0,0,0|0,0,2]=4 229 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [1,1,0,0,0,0|0,0,2]=4 230 B6R0.3 CC(=O)C(C)C=O DY459582 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.3 CC(C)[C@@H](N)CO NO22659 [1,1,0,0,0,0|0,0,1]=3 232 B6R0.3 CC(C)[C@H](N)CO NO17224 [1,1,0,0,0,0|0,0,1]=3 233 B6R0.3 CC(C)\C(N)=N\O DY574395 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.3 CCC(=O)C(=O)O NO21626 [1,1,0,0,0,0|0,0,1]=3 235 B6R0.3 CCC(N)C(=O)O NO14084 [1,1,0,0,0,0|0,0,0]=2 236 B6R0.3 CCC(O)C(=O)O DY562593 [1,1,0,0,0,0|0,0,0]=2 237 B6R0.3 CCC(O)C(=O)[O-] DY557445 [1,1,0,0,0,0|0,0,1]=3 238 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [1,1,0,0,0,0|0,0,0]=2 239 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [1,1,0,0,0,0|0,0,0]=2 241 B6R0.3 CC[C@H](N)C(=O)O NO13661 [1,1,0,0,0,0|0,0,0]=2 242 B6R0.3 CC[C@H](N)C(N)=O DY436006 [1,1,0,0,0,0|1,0,0]=3 243 B6R0.3 CC[C@H](N)C(N)=O NO15891 [1,1,0,0,0,0|1,0,0]=3 244 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.3 COC(C)C(=O)O NO14024 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.3 NC(=O)C(N)CO DY544785 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.3 NC(=O)[C@H](N)CO DY504027 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.3 NC(CO)C(=O)O NO18949 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.3 NC(CS)C(=O)O NO19655 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.3 NCC(N)C(=O)O DY702709 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.3 NCC(N)C(=O)O DY703093 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.3 NCC(N)C(=O)O NO19624 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.3 NC[C@H](N)C(=O)O NO14756 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [1,1,0,0,0,0|1,0,0]=3 262 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [1,1,0,0,0,0|1,0,0]=3 264 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.3 N[C@H](CO)C(=O)O NO14731 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.3 N[C@H](CS)C(=O)O DY439001 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.3 N[C@H](CS)C(=O)O NO19417 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.3 O=C(O)C(Br)CBr NO15215 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.3 O=C(O)C(Br)CF DY741307 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.3 O=C(O)C(O)CCl DY10790 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.3 O=C(O)[C@H](O)CS DY740539 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.4 C#CCCC(=O)O DY428029 [1,1,0,0,0,0|0,0,1]=3 273 B6R0.4 C=CCCC(=O)O NO15216 [1,1,0,0,0,0|0,0,1]=3 274 B6R0.4 C=COCC(C)C DY822723 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.4 CC(=O)CCCBr NO10305 [1,1,0,0,0,0|1,0,0]=3 276 B6R0.4 CC(=O)CCCCl NO10334 [1,1,0,0,0,0|1,0,0]=3 277 B6R0.4 CC(=O)NCCCl DY33011 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.4 CC(C)CCCBr DY740443 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.4 CC(C)NCCN DY20461 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.4 CCCCC(C)O DY740779 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.4 CCNCC(C)C DY564723 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.4 CC\C=C\C(C)=O DY822743 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.4 CNCCC(C)C DY543681 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.4 CNCCC(C)C DY553713 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.4 COCCC(=N)N DY569565 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.4 CSCCC(C)=O DY740809 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.4 N#CCCC(=O)O NO22262 [1,1,0,0,0,0|0,0,1]=3 288 B6R0.4 NCCCC(=O)O NO14998 [1,1,0,0,0,0|0,0,0]=2 289 B6R0.4 NCCNC(=O)O DY822495 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.4 NC\C=C\C(=O)O DY552195 [1,1,0,0,0,0|0,0,2]=4 291 B6R0.4 O=C(O)CCCBr NO14053 [1,1,0,0,0,0|0,0,0]=2 292 B6R0.5 CC(C)(C)CC=O DY20142 [1,1,0,0,0,0|0,0,0]=2 293 B6R0.5 CC(C)(C)CCO NO21905 [1,1,0,0,0,0|0,0,1]=3 294 B6R0.5 CC(C)(O)CCBr NO15788 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.5 CCCS(=O)(=O)Cl DY20992 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.5 CCCS(=O)(=O)[O-] DY32074 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.5 C[Si](C)(C)CCO DY546735 [1,1,0,0,0,0|0,1,1]=4 298 B6R0.5 O=S(=O)(O)CCO DY504969 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.7 CC(=O)C(C)(C)Cl DY741007 [0,1,0,0,1,0|1,0,0]=3 300 B6R0.7 CC(C)(Br)C(=O)O NO21332 [0,1,0,0,1,0|0,0,0]=2 301 B6R0.7 CC(C)(C)C(=O)O NO11866 [0,1,0,0,1,0|0,0,0]=2 302 B6R0.7 CC(C)(C)C(=O)[O-] DY504753 [0,1,0,0,1,0|0,0,1]=3 303 B6R0.7 CC(C)(C)[S@@](N)=O NO22549 [0,1,0,0,1,0|2,0,0]=4 304 B6R0.7 CC(C)(C)[S@](N)=O NO13893 [0,1,0,0,1,0|2,0,0]=4 305 B6R0.7 CC(C)(N)C(=O)O NO15358 [0,1,0,0,1,0|0,0,0]=2 306 B6R0.7 CC(C)(N)C(N)=O DY609020 [0,1,0,0,1,0|1,0,0]=3 307 B6R0.7 CC(C)(O)C(N)=S DY740299 [0,1,0,0,1,0|1,1,0]=4 308 B6R0.7 CC(C)S(=O)(=O)[O-] DY547479 [0,1,0,0,1,0|1,0,1]=4 309 B6R0.7 CC(C)S(C)(=O)=O DY740869 [0,1,0,0,1,0|1,0,1]=4 310 B6R0.7 CC(C)S(N)(=O)=O NO15962 [0,1,0,0,1,0|1,0,1]=4 311 B6R0.7 O=C(O)C(Br)(Br)Br DY822346 [0,1,0,0,1,0|2,0,0]=4 312 B6R0.7 O=C(O)C(Cl)(Cl)Cl DY565503 [0,1,0,0,1,0|2,0,0]=4 313 B6R0.7 O=C(O)C(F)(F)F DY684994 [0,1,0,0,1,0|2,0,0]=4 314 B6R0.7 [2H]C(C)(N)C(=O)O DY454695 [0,1,0,0,1,0|1,0,0]=3 315 B8R0.9 C=CC(=O)OCC(C)C DY822663 [0,1,0,0,0,1|1,0,0]=3 316 B8R0.9 C=CC(=O)OCC(C)O NO21600 [0,1,0,0,0,1|2,0,0]=4 317 B8R0.9 CC(C)NC[C@H](O)CO DY437814 [0,1,0,0,0,1|0,0,2]=4 318 B8R0.9 COC(=O)CCC(=O)O NO11694 [0,1,0,0,0,1|1,0,1]=4 319 B8R0.9 COC(C)COC(C)=O DY822690 [0,1,0,0,0,1|1,0,0]=3 320 B8R0.9 NCC(=O)CCC(=O)O DY34214 [0,1,0,0,0,1|1,0,1]=4 321 B8R0.9 NCC(=O)CCC(=O)O NO10222 [0,1,0,0,0,1|1,0,1]=4 322 B8R0.23 C=C(CC(C)C)C(C)=O DY740959 [0,1,0,0,0,1|1,0,0]=3 323 B8R0.23 CC(=O)N[C@@H](C)C(=O)O DY436012 [0,1,0,0,0,1|1,0,1]=4 324 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [0,1,0,0,0,1|0,0,0]=2 325 B8R0.23 CC(C)CC(Br)C(=O)O NO14792 [0,1,0,0,0,1|0,0,0]=2 326 B8R0.23 CC(C)CC(N)C(=O)O NO22248 [0,1,0,0,0,1|0,0,0]=2 327 B8R0.23 CC(C)C[C@@H](N)C(=O)O NO18600 [0,1,0,0,0,1|0,0,0]=2 328 B8R0.23 CC(C)C[C@@H](N)C(N)=O DY437833 [0,1,0,0,0,1|1,0,0]=3 329 B8R0.23 CC(C)C[C@H](N)C(=O)O NO18604 [0,1,0,0,0,1|0,0,0]=2 330 B8R0.23 CC(C)OC(C)C(=O)O DY603788 [0,1,0,0,0,1|0,0,0]=2 331 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O DY501789 [0,1,0,0,0,1|2,0,0]=4 332 B8R0.29 CC(C)(N)CCC(=O)O DY610628 [0,1,0,0,0,1|0,0,0]=2 333 B8R0.29 CC(F)(F)COC(=O)Cl DY721705 [0,1,0,0,0,1|2,0,0]=4 334 B8R0.29 O=C(O)CCC(F)(F)F NO22479 [0,1,0,0,0,1|2,0,0]=4 335 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O DY437802 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.2 COC(=O)C(Br)C(C)C NO11601 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.2 COC(=O)C(C)C(=O)O DY547743 [0,2,0,0,0,0|1,0,1]=4 338 B8R0.2 COC(=O)C(N)C(C)=O DY700224 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.2 COC(=O)C(N)C(C)O NO17155 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.2 COC(=O)[C@@H](N)C(C)C NO22265 [0,2,0,0,0,0|0,0,0]=2 341 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O NO17112 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.2 COC(=O)[C@H](N)C(C)C DY438304 [0,2,0,0,0,0|0,0,0]=2 343 B8R0.2 COC(=O)[C@H](N)C(C)C NO13949 [0,2,0,0,0,0|0,0,0]=2 344 B8R0.2 COC(=O)[C@H](N)[C@H](C)O NO15233 [0,2,0,0,0,0|1,0,0]=3 345 B8R0.2 COC(C)C(Br)C(=O)O DY797457 [0,2,0,0,0,0|0,0,0]=2 346 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O DY740365 [0,2,0,0,0,0|0,0,0]=2 347 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO NO13317 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO DY577845 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.5 CC(C)OC(=O)OCCl NO19003 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.5 CCOC(=O)C=C(C)C NO11345 [0,2,0,0,0,0|0,0,2]=4 351 B8R0.5 CCOC(=O)CC(C)O NO11353 [0,2,0,0,0,0|1,0,0]=3 352 B8R0.5 CCOC(=O)CC(F)F DY586521 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [0,2,0,0,0,0|1,0,0]=3 354 B8R0.5 CCOC(=O)OC(C)Cl NO20668 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.5 COCC(C)OC(C)=O DY822378 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.16 CCC(CC)CB(O)O DY706123 [0,2,0,0,0,0|1,0,1]=4 357 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,2,0,0,0,0|1,0,1]=4 358 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.19 COC(=O)CC(=O)CCl DY20592 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [0,2,0,0,0,0|1,0,0]=3 361 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.24 C=CC(=O)OC(C)(C)C DY822664 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.24 CC(C)(C)OC(=O)CCl DY822344 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.24 CC(C)(C)OC(=O)CN NO15473 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.24 CC(C)(C)OC(=O)CN NO22257 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.24 CC(C)(C)OC(=O)CO NO21767 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.24 CC(C)(C)OC(=O)NN DY460212 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.24 CC(C)(C)OC(=O)NN NO22657 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.24 CC(C)(C)OC(=O)NO NO17102 [0,2,0,0,0,0|1,0,0]=3 370 B8R0.24 CCC(=O)OC(C)(C)C DY461112 [0,2,0,0,0,0|2,0,0]=4 371 B8R0.24 COC(=O)CC(C)(C)C DY502731 [0,2,0,0,0,0|0,0,0]=2 372 B8R0.24 COC(=O)CC(C)(C)N DY740383 [0,2,0,0,0,0|0,0,0]=2 373 B8R0.34 CC(C)(CN)CC(=O)O DY578367 [0,2,0,0,0,0|0,0,0]=2 374 B8R0.27 CC(C(=O)O)C(C)(C)C DY585455 [0,2,0,0,0,0|0,0,0]=2 375 B8R0.27 CC(C)(C)C(N)C(=O)O NO18608 [0,2,0,0,0,0|0,0,0]=2 376 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O NO18601 [0,2,0,0,0,0|0,0,0]=2 377 B8R0.27 CC(C)(C)[C@H](N)C(=O)O NO18605 [0,2,0,0,0,0|0,0,0]=2 378 B8R0.27 CC(C)(O)[C@H](N)C(=O)O DY542709 [0,2,0,0,0,0|0,0,0]=2 379 B8R0.27 C[C@H](C(=O)O)C(C)(C)C DY585444 [0,2,0,0,0,0|0,0,0]=2 380 B8R0.27 NC(C(=O)O)C(F)(F)F DY429270 [0,2,0,0,0,0|2,0,0]=4 381 B8R0.18 CC(C)[C@H](CN)C(=O)O DY539799 [0,2,0,0,0,0|0,0,0]=2 382 B8R0.37 CC(=O)[C@](C)(O)C(=O)O DY624991 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.37 CC(C)C(C)(N)C(N)=O NO14313 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O DY515811 [0,2,0,0,0,0|1,0,0]=3 385 B6R1.2 CC1=NCCC1 NO21664 [1,0,0,1,0,0|2,0,0]=4 386 B6R1.2 CC1CCCO1 DY20580 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.2 CC1CCNC1 DY667237 [1,0,0,1,0,0|1,0,1]=4 388 B6R1.2 N=C1CCCS1 DY556065 [1,0,0,1,0,0|1,1,0]=4 389 B6R1.2 NC1=NCCC1 NO19310 [1,0,0,1,0,0|2,0,0]=4 390 B6R1.2 NC1CC=CC1 NO19415 [1,0,0,1,0,0|2,0,0]=4 391 B6R1.2 NC1CCOC1 NO12010 [1,0,0,1,0,0|1,0,1]=4 392 B6R1.2 N[C@@H]1CCOC1 DY623409 [1,0,0,1,0,0|1,0,1]=4 393 B6R1.2 N[C@@H]1CCOC1 NO13003 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.2 N[C@H]1CCOC1 DY626689 [1,0,0,1,0,0|1,0,1]=4 395 B6R1.2 N[C@H]1CCOC1 NO20366 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.2 O=C1CCNC1 NO22412 [1,0,0,1,0,0|2,0,0]=4 398 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,1,0,0|2,0,0]=4 399 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,1,0,0|2,0,0]=4 400 B6R1.2 O=C1N=CCO1 DY565077 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.2 O=C1NCCN1 NO21607 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.2 OC1CC=CC1 DY10342 [1,0,0,1,0,0|2,0,0]=4 403 B6R1.2 O[C@@H]1CCOC1 NO20284 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.2 O[C@@H]1CNOC1 DY549543 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.2 S=C1NCCO1 DY561801 [1,0,0,1,0,0|1,1,0]=4 406 B6R1.2 SC1CCOC1 DY789441 [1,0,0,1,0,0|1,0,1]=4 407 B6R1.3 ICCC1CC1 DY549405 [1,0,0,1,0,0|1,0,1]=4 408 B6R1.3 N#CCC1CC1 DY433947 [1,0,0,1,0,0|1,0,1]=4 409 B6R1.3 NNCC1CC1 DY509474 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.3 NNCC1CC1 DY586553 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.3 OCCN1CC1 DY505047 [1,0,0,1,0,0|1,0,1]=4 412 B6R1.5 C=C1CC(=O)O1 DY732691 [1,0,0,1,0,0|0,0,2]=4 413 B6R1.5 CC1CC(N)C1 DY105778 [1,0,0,1,0,0|1,0,1]=4 414 B6R1.5 CC1CC(O)C1 DY539301 [1,0,0,1,0,0|0,0,1]=3 415 B6R1.5 CN1CC(=O)C1 DY533589 [1,0,0,1,0,0|1,0,0]=3 416 B6R1.5 NC1CC(=O)C1 DY444232 [1,0,0,1,0,0|1,0,0]=3 417 B6R1.5 NC1CC(=O)C1 DY756175 [1,0,0,1,0,0|1,0,0]=3 418 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [1,0,0,1,0,0|1,0,1]=4 419 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [1,0,0,1,0,0|1,0,1]=4 420 B6R1.8 OCC1C[C@@H]1F DY102848 [1,0,0,1,0,0|1,0,1]=4 421 B6R1.11 CC(C)C1CO1 DY791517 [1,0,0,1,0,0|0,0,1]=3 422 B6R1.11 CC(O)C1CC1 DY757429 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.11 N=C(N)C1CC1 DY559371 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.11 N=C(N)C1CC1 NO16535 [1,0,0,1,0,0|2,0,0]=4 425 B6R1.11 NC(=O)C1CC1 NO16456 [1,0,0,1,0,0|1,0,0]=3 426 B6R1.11 NC(=S)C1CC1 DY21067 [1,0,0,1,0,0|1,1,0]=4 427 B6R1.11 O=C(O)C1CC1 NO13839 [1,0,0,1,0,0|0,0,0]=2 428 B6R1.11 O=C([O-])C1CO1 NO17514 [1,0,0,1,0,0|1,0,1]=4 429 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [1,0,0,1,0,0|1,0,1]=4 430 B6R1.11 O=S(O)C1CC1 DY586549 [1,0,0,1,0,0|1,0,0]=3 431 B6R1.11 OB(O)C1CC1 DY20194 [1,0,0,1,0,0|1,0,1]=4 432 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,0,0,1,0,1|0,0,0]=2 433 B8R1.3 CC1CCC(O)CC1 DY562059 [0,0,0,1,0,1|1,0,1]=4 434 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,0,0,1,0,1|2,0,0]=4 435 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,0,0,1,0,1|2,0,0]=4 436 B8R1.3 C[C@H]1CC[C@@H](O)CN1 DY542115 [0,0,0,1,0,1|1,0,1]=4 437 B8R1.3 C[C@H]1CO[C@@H](C)CN1 DY107002 [0,0,0,1,0,1|1,0,1]=4 438 B8R1.3 C[C@H]1CO[C@H](C)CN1 DY620618 [0,0,0,1,0,1|1,0,1]=4 439 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,0,0,1,0,1|2,0,0]=4 440 B8R1.3 NC1CCC(=O)NC1 DY444382 [0,0,0,1,0,1|2,0,0]=4 441 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,0,0,1,0,1|2,0,0]=4 442 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,0,0,1,0,1|2,0,0]=4 443 B8R1.3 O=C1COC(=O)CN1 DY549675 [0,0,0,1,0,1|1,0,1]=4 444 B8R1.3 O=C1COC(=O)CO1 DY758720 [0,0,0,1,0,1|1,0,1]=4 445 B8R1.23 CC(C)N1CC(O)C1 DY444113 [0,0,0,1,0,1|1,0,1]=4 446 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [0,0,0,1,0,1|0,0,0]=2 447 B8R1.23 CN1CC(C(=O)O)C1 DY444119 [0,0,0,1,0,1|1,0,0]=3 448 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [0,0,0,1,0,1|1,0,0]=3 449 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [0,0,0,1,0,1|1,0,0]=3 450 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [0,0,0,1,0,1|1,0,0]=3 451 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [0,0,0,1,0,1|1,0,0]=3 452 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,0,0,1,0,1|1,0,0]=3 453 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,0,0,1,0,1|1,0,0]=3 454 B8R1.23 O=C1CC(C(=O)O)C1 NO18894 [0,0,0,1,0,1|1,0,1]=4 455 B8R1.35 CC(C)OCC1CO1 DY553215 [0,0,0,1,0,1|1,0,1]=4 456 B8R1.35 N=C(N)SCC1CC1 DY758503 [0,0,0,1,0,1|2,0,0]=4 457 B8R1.35 O=C(O)CCC1CC1 NO19562 [0,0,0,1,0,1|0,0,0]=2 458 B8R1.51 CC1(C)CNC(=O)C1 NO22480 [0,0,0,1,0,1|1,0,0]=3 459 B8R1.51 CC1(O)CNC(=O)C1 DY559053 [0,0,0,1,0,1|2,0,0]=4 460 B8R1.77 CC1(C)C[C@@H]1C(=O)O NO19841 [0,0,0,1,0,1|0,0,0]=2 461 B8R1.1 CCC1COC(=O)N1 DY607707 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.1 C[C@@H]1CN[C@H](CO)C1 DY620034 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,1,0,1,0,0|0,0,0]=2 471 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.4 CC1CCNC(=O)N1 DY694421 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.4 CN1CCNC(=O)C1 NO13438 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.4 NC1CCNC(=O)C1 NO15459 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.18 CC1=C(C)OC(=O)O1 NO18029 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.18 CC1=CC(=O)OC1O NO22773 [0,1,0,1,0,0|0,0,2]=4 484 B8R1.18 C[C@H]1NC(=O)OC1=O NO17248 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.18 O=C1CC(Br)C(=O)O1 DY822751 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.29 CC1C(=O)NC1(C)C DY720526 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.34 CC(=O)NC1CNC1 DY502431 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.34 O=C(O)C=C1CCC1 DY544251 [0,1,0,1,0,0|0,0,2]=4 489 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,1,0,1,0,0|0,0,0]=2 490 B8R1.34 O=C(O)CC1CCN1 DY584158 [0,1,0,1,0,0|0,0,0]=2 491 B8R1.34 O=C(O)CN1CCC1 DY719380 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.40 NCC(=O)NC1CC1 DY511215 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.42 O=C(O)CC1(O)CC1 DY580923 [0,1,0,1,0,0|0,0,0]=2 494 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,1,0,1,0,0|0,0,0]=2 495 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,1,0,1,0,0|0,0,0]=2 496 B8R1.53 CC1(C)CC(CN)O1 DY115768 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.53 CC1(O)CC(CN)C1 DY104882 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.53 CC1(O)CC(CN)C1 DY583991 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [0,1,0,1,0,0|0,0,0]=2 500 B8R1.83 COC(=O)C1CC1Br DY430638 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.56 NS(=O)(=O)CC1CC1 DY757675 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.30 C=C1CC1(N)C(=O)O DY533541 [0,1,0,1,0,0|0,0,2]=4 503 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F DY102836 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.54 N[C@@H](C(=O)O)C1CC1 DY556701 [0,1,0,1,0,0|0,0,0]=2 505 B8R1.54 O=C(O)C(=O)C1CC1 NO15905 [0,1,0,1,0,0|0,0,1]=3 506 B8R1.54 O=C([O-])C(=O)C1CC1 DY121058 [0,1,0,1,0,0|0,0,2]=4 507 B8R0.28 CC(=O)CCC=C(C)C DY506172 [0,0,0,0,0,2|1,0,1]=4 508 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,0,0,0,0,2|1,0,1]=4 509 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,0,0,0,0,2|1,0,1]=4 510 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,0,0,0,0,2|0,0,0]=2 511 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,0,0,0,0,2|1,0,0]=3 512 B8R0.28 CN(C)C\C=C\C(=O)O NO15971 [0,0,0,0,0,2|1,0,0]=3 513 B8R0.28 CN(C)C\C=C\C(=O)O NO16134 [0,0,0,0,0,2|1,0,0]=3 514 B8R0.28 CN(C)C\C=C\C(N)=O DY538707 [0,0,0,0,0,2|2,0,0]=4