0 B6R0.4 C#CCCC(=O)O DY428029 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C=CCCC(=O)O NO15216 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 CC(=O)CCCBr NO10305 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.4 CC(=O)CCCCl NO10334 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 CC(=O)NCCCl DY33011 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CC(C)=CC[Zn]Cl DY116080 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.4 CC(C)CCCBr DY740443 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 CC(C)NCCN DY20461 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 CCCCC(C)O DY740779 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.4 CCCC[SiH](C)C DY500283 [0,0,0,0,0,0|2,1,0]=3 10 B6R0.4 CCNCC(C)C DY564723 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 CC\C=C\C(C)=O DY822743 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.4 CN(C)CCCBr NO22184 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CN(C)CCCCl NO13505 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 CN(C)CCCCl NO14943 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 CNCCC(C)C DY543681 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.4 CNCCC(C)C DY553713 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.4 CNCCN(C)C NO11723 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 CNCCN(C)C NO15131 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.4 COCCC(=N)N DY569565 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.4 CSCCC(C)=O DY740809 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.4 N#CCCC(=O)O NO22262 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.4 NCCCC(=O)O NO14998 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 NCCNC(=O)O DY822495 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 NC\C=C\C(=O)O DY552195 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.4 O=C(O)CCCBr NO14053 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 C=C(C)CCBr NO14513 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CC#CC(=O)O DY20776 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CC(=O)O[Ru]Cl DY577947 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CC(=O)\C=N\O NO11520 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(=O)\C=N\O NO18968 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(C)=CCBr DY41900 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CC(C)=CCCl DY460578 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(C)CCBr DY460632 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CC(N)CCO NO22096 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CCCB(O)O NO14802 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CCCC(=O)[O-] DY822775 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|0,0,0]=1 38 B5R0.1 CCCC(C)O DY741013 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.1 CCNC(C)=O DY564051 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CCOC(C)=N DY500026 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 CCSC(=N)N DY505011 [1,0,0,0,0,0|2,1,0]=4 42 B5R0.1 CN(C)CCBr NO10949 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CN(C)CCCl NO14471 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CN(C)CCN NO18603 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CN(C)CCO NO11733 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CNCC(=O)O NO18595 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 COCC(=N)N DY535605 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 COCC(=O)O NO11579 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 COCC(C)O NO20741 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 COC[C@@H](C)O NO20249 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 COC[C@H](C)N DY623421 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 COC[C@H](C)O NO20309 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 CSCC(=N)N DY504363 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 CSCC(=O)O DY543879 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CSCC(N)=O NO12608 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 C[C@@H](N)CCO NO14355 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 C[C@H](N)CCO DY625189 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 C[C@H](N)CCO NO14356 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 C\C=C\C(=O)O DY41882 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.1 N#CCC(=O)Cl DY740377 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 N#CCC(N)=O NO18594 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 NCCC(=O)O NO13499 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 O=C(O)OCCl DY523719 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.2 C=CCCCBr DY460284 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 CCC#CCC DY740797 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.2 CCCCCBr NO20657 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 CCCC[Mg]Cl DY567561 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.2 CCOCCBr NO21396 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.2 CCO\C=C\Br DY456448 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.2 CNCCCO NO14200 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.2 CNCCNC NO15116 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.2 COCCCBr NO20649 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.2 COCCCO NO20039 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.2 COCCOC DY546591 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.2 CSCCCO DY557199 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.2 C\C=C\CCO DY799773 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.2 CC(=O)NC(=O)CCl DY741085 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,1,0,0,0,0|0,0,1]=2 81 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.2 CNC(C)CC(=O)O DY606375 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.3 C#CCCC(=O)OC DY424002 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.3 CCCCC(O)CO DY567525 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.3 CCCOC(C)CN DY605531 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.3 COC(=O)CCC#N DY553731 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.3 COC(=O)CCC=O DY21172 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.3 COC(=O)\C=C\CBr NO13509 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.3 COC(=O)\C=C\CN DY583653 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 CO\C=C\C(=O)OC NO11630 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.4 C#CCCCC(=O)O NO14686 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.4 CC(=O)CCCCBr NO10627 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.4 CC(C)OCCCN DY546693 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.4 CC(O)COCCN DY560097 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.4 CCCCCC(=O)Cl DY822275 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.4 CCCCCC(C)O NO21570 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.4 CCCOCC(=O)O DY425744 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.4 CCCSCC(N)=O DY742801 [0,1,0,0,0,0|1,1,0]=3 102 B7R0.4 CCO\C=C\C(=O)O NO22271 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.4 CN(C)CCCCCl DY551337 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.4 CN(C)CCCCO NO22813 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.4 CNCCCC(=O)O DY702793 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.4 CNCCCN(C)C DY584479 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.4 O=C(Cl)CCCCCl DY460464 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.5 CCCC(=O)N(C)C DY584357 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.5 CCCC(C)C(C)=O DY740965 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.5 COC[C@H](N)C(=O)O NO16755 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.5 COC[C@H](N)C(=O)O NO20335 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.5 NC(CCO)C(=O)O NO13886 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.5 NCCC(N)C(=O)O DY700789 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.5 NCCC(N)C(=O)O NO15080 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.5 NCCC(O)C(=O)O NO15496 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.6 CC(=O)NCC(=O)O NO19131 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.6 CC(=O)SCC(=O)O DY447723 [0,1,0,0,0,0|1,1,1]=4 128 B7R0.6 CC(Br)CCC(C)Br DY793473 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.6 CC(C)CCC(=N)N DY611066 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.6 CN(C)CCC(=O)O NO12169 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.8 CC(C)(C)OCCO DY570549 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.8 CCCOS(=O)(=O)O DY798855 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.2 CC1=CC(C)=NO1 NO14107 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.2 CC1=COC(C)=N1 DY568869 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.2 CC1CCC(C)N1 DY585723 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.2 CN1CCC(=O)C1 NO20760 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,0,0,1,0,0|1,0,0]=2 144 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.2 O=C1CC(O)CN1 NO14706 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.3 BrC1=CCOCC1 DY543735 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.3 BrC1CCCCC1 NO11079 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 CC1C=CCCO1 DY560079 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.3 CC1CCCCN1 DY20418 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.3 CC1CNCCO1 NO21692 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 O=C1C=CCCN1 NO15771 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.3 O=C1C=CCOC1 NO17023 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 O=C1CCCCO1 NO11208 [0,0,0,1,0,0|0,0,0]=1 165 B7R1.3 O=C1CCCNC1 DY557319 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 O=C1CCCNC1 NO17767 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.3 O=C1CCOCC1 NO13380 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.3 O=C1CCSCC1 NO18797 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.3 O=C1CNCCN1 NO19142 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.3 O=C1COCCN1 NO11697 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.3 O=C1COCCO1 DY20725 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.3 O=S1CCCCC1 DY822282 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.3 O=S1CCNCC1 DY570699 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.3 S=C1COCCN1 DY732685 [0,0,0,1,0,0|2,1,0]=4 175 B7R1.5 C=C1CC1CCO DY790953 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.7 CCCC[C@H]1CO1 DY822259 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.10 COC1CC(=O)N1 DY548379 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.10 NCC1CC(=O)C1 DY522525 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.14 CC1(Br)CCCC1 DY585925 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.14 CC1(C)OCCO1 DY822372 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.14 CC1(N)CCCC1 DY502389 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.14 CC1(O)CCCC1 NO20768 [0,0,0,1,0,0|1,0,2]=4 186 B7R1.18 CC(O)C1CCC1 NO20672 [0,0,0,1,0,0|1,0,2]=4 187 B7R1.18 C[C@H](N)C1CCC1 DY586624 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.18 NC(=O)C1CNC1 DY10515 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.18 NC(=O)C1CNC1 DY10516 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.18 O=C(O)C1CCC1 NO22786 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.18 O=C(O)C1CCN1 NO18844 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.18 O=C(O)C1CNC1 NO16485 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.18 O=C(O)C1COC1 NO22389 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.20 N=C(N)NC1CC1 DY608746 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [0,0,0,1,0,0|3,0,0]=4 199 B4R0.1 CC(=O)CBr DY20986 [2,0,0,0,0,0|1,0,0]=3 200 B4R0.1 CC(=O)CN NO10921 [2,0,0,0,0,0|1,0,0]=3 201 B4R0.1 CC(=O)CO NO11467 [2,0,0,0,0,0|1,0,0]=3 202 B4R0.1 CC(=O)NN NO10881 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 CC(=O)NO NO14961 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.1 CCC(C)I DY740911 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.1 CCC(N)=O NO11886 [2,0,0,0,0,0|1,0,0]=3 206 B4R0.1 COC(=N)N DY546861 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 COC(N)=O NO11667 [2,0,0,0,0,0|1,0,0]=3 208 B4R0.1 C\C=C(/C)Br DY10255 [2,0,0,0,0,0|1,0,1]=4 209 B4R0.1 NC(=O)CBr NO21389 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 NC(=O)CS DY570543 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 NCC(=O)O NO19951 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 NCC(=O)[O-] DY20522 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 NCC(=O)[O-] DY795873 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 NCC(=O)[O-] NO10910 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 NCC(N)=O NO13806 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 O=C(Br)CBr DY796737 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 O=C(Cl)CBr DY21000 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 O=C(O)CO NO19334 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.1 O=C([O-])CS DY822459 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 C=CCCN DY740341 [2,0,0,0,0,0|1,0,1]=4 221 B4R0.2 CCCCBr DY460620 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.2 CCNCC NO11240 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.2 CNCCBr DY584482 [2,0,0,0,0,0|2,0,0]=4 224 B4R0.2 CNCCO NO20910 [2,0,0,0,0,0|2,0,0]=4 225 B4R0.2 COCC=O DY740317 [2,0,0,0,0,0|1,0,0]=3 226 B4R0.2 COCCBr DY578823 [2,0,0,0,0,0|1,0,0]=3 227 B4R0.2 COCCN DY822486 [2,0,0,0,0,0|1,0,0]=3 228 B4R0.2 COCCO DY457570 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.2 CSCSC DY528795 [2,0,0,0,0,0|1,1,0]=4 230 B4R0.2 [Li]CCCC DY790335 [2,0,0,0,0,0|1,0,1]=4 231 B6R0.1 CCCC(=O)NN NO22544 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.1 CCCC(C)CBr DY112368 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.1 CCCC(O)CO NO20495 [1,1,0,0,0,0|0,0,2]=4 234 B6R0.1 CCNC(=O)CN DY461322 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.1 CCOC(=O)CC DY460554 [1,1,0,0,0,0|0,0,0]=2 236 B6R0.1 CCOC(=O)CN DY700831 [1,1,0,0,0,0|0,0,0]=2 237 B6R0.1 CCOC(=O)CN NO15347 [1,1,0,0,0,0|0,0,0]=2 238 B6R0.1 CCOC(=O)CO NO11386 [1,1,0,0,0,0|0,0,0]=2 239 B6R0.1 CCOC(=O)NN NO11383 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.1 CNC(=O)CC#N NO18404 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.1 COC(=N)CCCl DY799605 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.1 COC(=O)CC=O DY740485 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.1 COC(=O)CCCl DY741043 [1,1,0,0,0,0|1,0,0]=3 244 B6R0.1 COC(=O)CCN NO22266 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.1 COC(=O)CSC DY460536 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.1 COCC(=O)NN NO11580 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.1 O=C(CCl)NCO NO14580 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.2 CC(=O)NC(C)C DY461094 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.2 CC(C)CC(C)N DY822361 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.2 CC(O)CC(=O)[O-] DY460020 [1,1,0,0,0,0|1,0,0]=3 251 B6R0.2 CC(O)CN(C)C DY741373 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.2 CN(C)CC(=O)O NO13413 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.2 C[C@@H](N)CN(C)C DY550137 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.2 C[C@@H](O)CN(C)C DY585675 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.3 CC(=O)C(C)C=O DY459582 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.3 CCC(=O)C(=O)O NO21626 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.3 CCC(N)C(=O)O NO14084 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.3 CCC(O)C(=O)O DY562593 [1,1,0,0,0,0|1,0,0]=3 264 B6R0.3 CCC(O)C(=O)[O-] DY557445 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.3 CC[C@H](N)C(=O)O NO13661 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.3 CC[C@H](N)C(N)=O DY436006 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.3 CC[C@H](N)C(N)=O NO15891 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.3 COC(C)C(=O)O NO14024 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.3 CON(C)C(C)=O NO11789 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.3 NC(=O)C(N)CO DY544785 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 NC(=O)[C@H](N)CO DY504027 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 NC(CO)C(=O)O NO18949 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 NC(CS)C(=O)O NO19655 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 NCC(N)C(=O)O DY702709 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.3 NCC(N)C(=O)O DY703093 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 NCC(N)C(=O)O NO19624 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.3 NC[C@H](N)C(=O)O NO14756 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [1,1,0,0,0,0|2,0,0]=4 288 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [1,1,0,0,0,0|2,0,0]=4 289 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.3 N[C@H](CO)C(=O)O NO14731 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.3 N[C@H](CS)C(=O)O DY439001 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.3 N[C@H](CS)C(=O)O NO19417 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.3 O=C(O)C(Br)CBr NO15215 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.3 O=C(O)C(Br)CF DY741307 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.3 O=C(O)C(O)CCl DY10790 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.3 O=C(O)[C@H](O)CS DY740539 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.5 CCCS(=O)(=O)Cl DY20992 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.5 CCCS(=O)(=O)[O-] DY32074 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.6 C=CCCCCCl DY427568 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.6 C=CCCCCO NO10397 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.6 C=COCCON DY106384 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.6 CC#CCCCO DY580533 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.6 CCCCON=O DY461106 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.6 CCCCSCC DY740893 [1,1,0,0,0,0|0,1,1]=4 307 B6R0.6 CCCOCCO DY740785 [1,1,0,0,0,0|0,0,1]=3 308 B6R0.6 CNCCCCBr DY741283 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.6 CNCCCCO DY554133 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.6 COCCCCBr NO22933 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.6 COCCCCO DY741295 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.6 COCCCOC DY792147 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.6 O=CCCCC=O DY822316 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.6 O=CCCCCBr DY510224 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O DY437802 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.5 COCC(C)OC(C)=O DY822378 [0,2,0,0,0,0|0,0,0]=2 317 B8R0.19 CCC(=O)CC(=O)CC NO22007 [0,2,0,0,0,0|1,0,1]=4 318 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.19 COC(=O)OC(=O)OC DY528549 [0,2,0,0,0,0|1,0,1]=4 323 B8R0.23 C=C(CC(C)C)C(C)=O DY740959 [0,2,0,0,0,0|1,0,0]=3 324 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.23 CC(C)CC(Br)C(=O)O NO14792 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.23 CC(C)CC(N)C(=O)O NO22248 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.23 CC(C)C[C@@H](N)C(=O)O NO18600 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.23 CC(C)C[C@@H](N)C(N)=O DY437833 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.23 CC(C)C[C@H](N)C(=O)O NO18604 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.1 C=CCOC(=O)CC#N DY518301 [0,2,0,0,0,0|0,0,2]=4 331 B8R0.1 CCC#CC(=O)OCC DY560139 [0,2,0,0,0,0|1,0,1]=4 332 B8R0.1 CCOC(=O)CCCCl DY822383 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.1 CCOC(=O)CCCO DY111642 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.1 CCOCC(=O)OCC DY461136 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.1 CNCC(=O)NCCO DY741259 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.3 CCOC(=O)C(=O)CBr NO18430 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.6 CCCCNC(=O)CCl NO11766 [0,2,0,0,0,0|1,0,0]=3 339 B8R0.6 NCC(=O)NCCCO DY741271 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.8 CNCCC(=O)N(C)C DY606171 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.9 C=CC(=O)OCC(C)C DY822663 [0,2,0,0,0,0|0,0,1]=3 348 B8R0.9 C=CC(=O)OCC(C)O NO21600 [0,2,0,0,0,0|0,0,1]=3 349 B8R0.9 COC(C)COC(C)=O DY822690 [0,2,0,0,0,0|0,0,0]=2 350 B8R0.7 CCCCCCC(=O)O DY822462 [0,2,0,0,0,0|2,0,0]=4 351 B8R0.7 CCOCCOC(=O)Cl DY797049 [0,2,0,0,0,0|1,0,0]=3 352 B8R0.7 CSCCCCC(=O)O DY112374 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.7 NCCCCCC(=O)O NO13381 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.7 NCCOCCC(=O)O DY739157 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.7 O=C(O)CCCCCBr NO18405 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.7 O=[N+]([O-])OCCCCO DY542799 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.21 CS(=O)(=O)CCCCN DY116558 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.21 CS(=O)(=O)OCCCF DY794817 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.21 C[Si](C)(C)OCCCN DY543417 [0,2,0,0,0,0|1,1,0]=4 360 B8R0.21 NCCCOP(=O)([O-])[O-] DY20565 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.28 CC(=O)CCC=C(C)C DY506172 [0,2,0,0,0,0|1,0,1]=4 362 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,2,0,0,0,0|1,0,1]=4 363 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.28 CC(=O)OC\N=[N+](\C)[O-] DY562203 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.28 CC(C)COCC(C)C DY740839 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.29 CC(C)(N)CCC(=O)O DY610628 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.29 CC(F)(F)COC(=O)Cl DY721705 [0,2,0,0,0,0|1,0,0]=3 371 B6R1.2 C=C1CCSC1 DY523665 [1,0,0,1,0,0|2,0,0]=4 372 B6R1.2 CC1=NCCC1 NO21664 [1,0,0,1,0,0|1,0,0]=3 373 B6R1.2 CC1CCCN1 NO21699 [1,0,0,1,0,0|1,0,1]=4 374 B6R1.2 CC1CCCN1 NO21700 [1,0,0,1,0,0|1,0,1]=4 375 B6R1.2 CC1CCCO1 DY20580 [1,0,0,1,0,0|0,0,2]=4 376 B6R1.2 C[C@@H]1CCCN1 NO18299 [1,0,0,1,0,0|1,0,1]=4 377 B6R1.2 C[C@H]1CCCN1 NO18800 [1,0,0,1,0,0|1,0,1]=4 378 B6R1.2 C[C@H]1CCCN1 NO19735 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.2 N=C1CCCS1 DY556065 [1,0,0,1,0,0|1,1,0]=4 380 B6R1.2 NC1=NCCC1 NO19310 [1,0,0,1,0,0|2,0,0]=4 381 B6R1.2 NN1CCCC1 DY564555 [1,0,0,1,0,0|2,0,0]=4 382 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,1,0,0|0,0,0]=2 383 B6R1.2 O=C1CCNC1 NO22412 [1,0,0,1,0,0|1,0,0]=3 384 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,1,0,0|1,0,0]=3 385 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,1,0,0|1,0,0]=3 386 B6R1.2 O=C1N=CCO1 DY565077 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.2 O=C1NCCN1 NO21607 [1,0,0,1,0,0|2,0,0]=4 388 B6R1.2 S=C1NCCO1 DY561801 [1,0,0,1,0,0|1,1,0]=4 389 B6R1.5 C=C1CC(=O)O1 DY732691 [1,0,0,1,0,0|0,0,2]=4 390 B6R1.5 CC1CC(N)C1 DY105778 [1,0,0,1,0,0|1,0,1]=4 391 B6R1.5 CC1CC(O)C1 DY539301 [1,0,0,1,0,0|0,0,2]=4 392 B6R1.5 CN1CC(=O)C1 DY533589 [1,0,0,1,0,0|1,0,0]=3 393 B6R1.5 NC1CC(=O)C1 DY444232 [1,0,0,1,0,0|1,0,0]=3 394 B6R1.5 NC1CC(=O)C1 DY756175 [1,0,0,1,0,0|1,0,0]=3 395 B6R1.11 CC(N)C1CC1 DY528885 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.11 CC(O)C1CC1 DY757429 [1,0,0,1,0,0|0,0,2]=4 397 B6R1.11 C[C@H](N)C1CC1 DY623903 [1,0,0,1,0,0|1,0,1]=4 398 B6R1.11 N=C(N)C1CC1 DY559371 [1,0,0,1,0,0|2,0,0]=4 399 B6R1.11 N=C(N)C1CC1 NO16535 [1,0,0,1,0,0|2,0,0]=4 400 B6R1.11 NC(=O)C1CC1 NO16456 [1,0,0,1,0,0|1,0,0]=3 401 B6R1.11 NC(=S)C1CC1 DY21067 [1,0,0,1,0,0|1,1,0]=4 402 B6R1.11 O=C(O)C1CC1 NO13839 [1,0,0,1,0,0|1,0,0]=3 403 B6R1.11 O=C([O-])C1CO1 NO17514 [1,0,0,1,0,0|2,0,0]=4 404 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.11 O=S(O)C1CC1 DY586549 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.1 C1=CCNCC1 DY444071 [1,0,0,1,0,0|2,0,0]=4 407 B6R1.1 C1=CCSCC1 DY427366 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.1 C1=COCCC1 DY20500 [1,0,0,1,0,0|0,0,1]=3 409 B6R1.1 C1CCNCC1 DY822173 [1,0,0,1,0,0|1,0,1]=4 410 B6R1.1 C1CCNNC1 DY586554 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.1 C1CCNNC1 NO17893 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.1 C1CCSCC1 DY822278 [1,0,0,1,0,0|0,1,1]=4 413 B6R1.1 C1CNCOC1 DY524601 [1,0,0,1,0,0|1,0,1]=4 414 B6R1.1 C1COCCN1 DY20726 [1,0,0,1,0,0|1,0,1]=4 415 B6R1.1 C1COCOC1 DY822672 [1,0,0,1,0,0|0,0,2]=4 416 B6R1.4 CC1OCC1N DY732961 [1,0,0,1,0,0|1,0,1]=4 417 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [1,0,0,1,0,0|1,0,1]=4 418 B6R1.6 OCC1CCO1 NO15009 [1,0,0,1,0,0|1,0,1]=4 419 B8R1.1 CCC1COC(=O)N1 DY607707 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,1,0,1,0,0|0,0,0]=2 428 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.4 CC1=CC(C)OCC1 DY560031 [0,1,0,1,0,0|1,0,1]=4 431 B8R1.4 CC1CCNC(=O)N1 DY694421 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.4 CN1CCNC(=O)C1 NO13438 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,1,0,1,0,0|0,0,0]=2 435 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.4 NC1CCNC(=O)C1 NO15459 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.4 O=C1C=C(Br)CCC1 DY560859 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.4 O=C1CCCC(=O)C1 NO19094 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.4 O=C1CCCC(=O)O1 NO11243 [0,1,0,1,0,0|0,0,1]=3 440 B8R1.4 O=C1CCNC(=O)C1 NO18339 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.4 O=S1CCCC(Br)C1 DY586414 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.18 CC1=CC(=O)OC1O NO22773 [0,1,0,1,0,0|0,0,2]=4 444 B8R1.18 C[C@H]1NC(=O)OC1=O NO17248 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.18 O=C1CC(Br)C(=O)O1 DY822751 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.34 CC(=O)NC1CNC1 DY502431 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.34 CC(C)OC1CNC1 DY10552 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.34 CC(C)OC1CNC1 DY10553 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.34 CC(C)OC1CNC1 DY719392 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.34 O=C(O)C=C1CCC1 DY544251 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.34 O=C(O)CC1CCN1 DY584158 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.34 O=C(O)CN1CCC1 DY719380 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.40 NCC(=O)NC1CC1 DY511215 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.42 O=C(O)CC1(O)CC1 DY580923 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.51 CC1(C)CNC(=O)C1 NO22480 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.51 CC1(O)CNC(=O)C1 DY559053 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.51 CC1COS(=O)(=O)O1 DY770145 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.83 COC(=O)C1CC1Br DY430638 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.2 COC1=CCCCC1 DY789345 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.2 COC1=NCCCC1 DY711079 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.2 NOC1CCCCO1 NO17026 [0,1,0,1,0,0|0,0,2]=4 466 B8R1.2 O=CC1=CCCOC1 NO10171 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.2 O=CC1CCCCC1 DY20143 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,1,0,1,0,0|0,0,0]=2 469 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.3 C[C@H]1CO[C@@H](C)CN1 DY107002 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.3 C[C@H]1CO[C@H](C)CN1 DY620618 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.3 NC1CCC(=O)NC1 DY444382 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.3 O=C1CCC(=O)CC1 NO19236 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.3 O=C1CCC(=O)NC1 NO21155 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.3 O=C1COC(=O)CN1 DY549675 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.3 O=C1COC(=O)CO1 DY758720 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.5 CC1=NCCCN1C DY20695 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.5 CC1NCCNC1=O DY543543 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.5 CN1CCCNC1=O DY502023 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.5 CN1CCNCC1=O DY734647 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.5 CN1CCNCC1=O NO17040 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.5 CN1CCNCC1=O NO18390 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.5 N[C@H]1CCCNC1=O DY106744 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.5 N[C@H]1CCCNC1=O DY554319 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.5 O=C1CCCCC1=O NO20486 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.5 O=C1CCCCC1Br DY573183 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.5 O=C1CCCCN1O DY822177 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.5 O=C1CCOCC1F DY458969 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.5 O=C1NCCCC1O NO19689 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.5 O=C1NCCC[C@H]1O DY541749 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.5 O=C1OCCCC1O NO16147 [0,1,0,1,0,0|0,0,0]=2 497 B8R1.22 C=C1OCCCCO1 DY567825 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.22 O=C1CCCCCC1 DY461238 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.22 O=C1CCCNCC1 NO19096 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.22 O=C1CCNCCN1 NO18857 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.22 O=C1OCCCCO1 DY770703 [0,1,0,1,0,0|0,0,0]=2 502 B8R1.38 CCC(=O)C1COC1 DY526161 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.38 CNC(=O)C1CCC1 DY514599 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.38 COC(=O)C1CNC1 NO13402 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.38 COC(=O)[C@@H]1CCN1 DY625939 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.38 COC(=O)[C@H]1CCN1 DY565389 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.38 COC(=O)[C@H]1CCN1 DY627322 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.38 O=C(CBr)C1CCC1 DY742339 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.52 CC1(CO)CCCO1 DY585353 [0,1,0,1,0,0|0,0,2]=4 510 B8R1.6 CCCC1CC(=O)C1 DY561087 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,1,0,1,0,0|0,0,0]=2 514 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,1,0,1,0,0|0,0,0]=2 516 B8R1.7 CC(N)C1CCCO1 DY580113 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.7 NC(=O)C1CCCC1 DY794313 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.7 NC(=O)C1CCNC1 DY555753 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.7 NC(=O)C1CCNC1 DY565263 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.7 NC(=O)N1CCCC1 DY717045 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.7 O=C(O)C1=NCCC1 DY584439 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.35 CC(C)OCC1CO1 DY553215 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.35 O=C(O)CCC1CC1 NO19562 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.72 O=S1(=O)CCCCN1 DY428209 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.54 N[C@@H](C(=O)O)C1CC1 DY556701 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.54 O=C(O)C(=O)C1CC1 NO15905 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.54 O=C([O-])C(=O)C1CC1 DY121058 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.78 CC1(C(=O)O)CCC1 DY21173 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.78 NC1(C(=O)O)CCC1 NO20591 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.77 CC1(C)C[C@@H]1C(=O)O NO19841 [0,1,0,1,0,0|2,0,0]=4