0 B8R1.1 CCC1COC(=O)N1 DY607707 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.1 CCN1CC[C@@H](N)C1 DY516273 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 CCN1CC[C@@H](N)C1 DY570393 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 CN1CC[C@H](CN)C1 DY104144 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,0,0,0,0,0|1,0,2]=3 9 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 BrCC1CCCC1 DY20145 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 BrCC1OCCO1 NO21401 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 C#CC1CCCO1 DY586043 [1,0,0,0,0,0|0,0,3]=4 18 B7R1.1 CCC1CCCN1 DY738230 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 CCC1CCNC1 DY585732 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 CNC1CCCC1 DY757231 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 CNC1CCOC1 DY579885 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 CN[C@@H]1CCOC1 DY104966 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 COC1CCCC1 DY459258 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 COC1CCNC1 NO22350 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 CO[C@@H]1CCNC1 NO12137 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 CO[C@H]1CCNC1 DY510861 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 CO[C@H]1CCNC1 NO12136 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 FC[C@@H]1CCCN1 DY100102 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 NCC1CCCC1 NO14873 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 NCC1CCCN1 NO15469 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 NC[C@H]1CCCN1 NO15745 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 NC[C@H]1CCOC1 DY102307 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 OCC1CC=CC1 NO20734 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 OCC1CCCC1 NO11185 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 OCC1CCCN1 DY556821 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 OCC1CCCN1 DY668415 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 OCC1CCCO1 DY20392 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.1 OCC1CCNC1 NO11284 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 OCC1CCNC1 NO16764 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 OCC1CCNC1 NO18341 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 OC[C@@H]1CCCN1 NO22640 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.1 OC[C@@H]1CCNC1 DY115660 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 OC[C@H]1CCCN1 NO17003 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.1 OC[C@H]1CCCO1 DY542355 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.2 CC1=CC(=O)CC1 NO22356 [1,0,0,0,0,0|1,0,1]=3 46 B7R1.2 CC1=CCC(=O)O1 DY562161 [1,0,0,0,0,0|0,0,2]=3 47 B7R1.2 CC1=NCC(=O)O1 DY774159 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.2 CC1=NNC(=O)O1 NO10427 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.2 CC1CCC(=O)N1 DY505299 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.2 CC1CCC(C)N1 DY585723 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.2 CN1CCC(=O)C1 NO20760 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 O=C1CC(O)CN1 NO14706 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.2 O=C1CCC(=O)C1 DY552447 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.2 O=C1CCC(=O)N1 DY822949 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.7 CCC[C@H]1COC(=O)C1 DY426027 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.7 NCCC1CCC(=O)N1 DY667478 [0,1,0,0,0,0|1,0,0]=2 66 B9R1.21 OC[C@@H]1CC[C@H](CO)O1 NO11151 [0,1,0,0,0,0|1,0,2]=4 67 B9R1.22 O=C1C[C@@H](O)[C@@H](CBr)O1 DY742837 [0,1,0,0,0,0|1,0,0]=2 68 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 DY549897 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.23 CC1N=C(CN)OC1=O DY774165 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.23 CN1CC(CN)CC1=O DY580887 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.23 CN1C[C@H](CN)OC1=O DY774135 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.23 CNC1CC(=O)N(C)C1 DY524481 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.35 CC(C)C1CNC(=O)C1 DY578559 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.35 CC(C)[C@H]1COC(=O)N1 NO22803 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.35 O=C1CCC(C(=O)O)N1 DY525489 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,1,0,0,0,0|1,0,1]=3 78 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 DY625441 [0,1,0,0,0,0|1,0,1]=3 79 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 DY438135 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.35 O=C1CC[C@H](C(=O)O)N1 NO22212 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.132 CN1C(=O)CCC1CO DY102373 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.132 CN1C(=O)CC[C@@H]1CO DY738224 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,0,1,0,0,0|2,0,0]=3 84 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,0,1,0,0,0|1,0,1]=3 86 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.2 CNC(C)CC(=O)O DY606375 [0,0,1,0,0,0|3,0,0]=4 89 B7R0.3 CCCCC(O)CO DY567525 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.3 CCCOC(C)CN DY605531 [0,0,1,0,0,0|2,0,1]=4 91 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,0,1,0,0,0|2,0,1]=4 92 B7R0.3 COC(=O)CCC=O DY21172 [0,0,1,0,0,0|1,0,2]=4 93 B7R0.4 C#CCCCC(=O)O NO14686 [0,0,1,0,0,0|0,0,2]=3 94 B7R0.4 CC(=O)CCCCBr NO10627 [0,0,1,0,0,0|2,0,0]=3 95 B7R0.4 CCCCCB(O)O NO22305 [0,0,1,0,0,0|1,0,1]=3 96 B7R0.4 CCCCCC(=O)Cl DY822275 [0,0,1,0,0,0|1,0,0]=2 97 B7R0.4 CCCCCC(C)O NO21570 [0,0,1,0,0,0|1,0,1]=3 98 B7R0.4 CCCOCC(=O)O DY425744 [0,0,1,0,0,0|1,0,0]=2 99 B7R0.4 CCCSCC(N)=O DY742801 [0,0,1,0,0,0|2,0,0]=3 100 B7R0.4 CCO\C=C\C(=O)O NO22271 [0,0,1,0,0,0|1,0,2]=4 101 B7R0.4 CNCCCC(=O)O DY702793 [0,0,1,0,0,0|1,0,0]=2 102 B7R0.4 N#CCSCC(=O)O DY796389 [0,0,1,0,0,0|2,0,1]=4 103 B7R0.4 O=C(Cl)CCCCCl DY460464 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.4 [N-]=[N+]=NCCC(=O)O DY457240 [0,0,1,0,0,0|3,0,0]=4 105 B7R0.12 CCOC(CC)CN DY605537 [0,0,1,0,0,0|2,0,1]=4 106 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 DY573921 [0,0,0,1,0,0|2,0,1]=4 107 B9R2.39 N[C@@H]1C[C@H]2CC[C@H]1C2 DY586591 [0,0,0,1,0,0|2,0,1]=4 108 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 DY511755 [0,0,0,1,0,0|2,0,1]=4 109 B9R2.39 N[C@H]1C[C@H]2CC[C@H]1C2 DY586592 [0,0,0,1,0,0|2,0,1]=4 110 B9R2.39 O=C1CC2CC1CO2 DY506766 [0,0,0,1,0,0|2,0,0]=3 111 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 DY517035 [0,0,0,1,0,0|1,0,2]=4 112 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 DY620394 [0,0,0,1,0,0|1,0,0]=2 113 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 DY556761 [0,0,0,1,0,0|1,0,2]=4 114 B9R2.68 C1CC2CNCC1O2 NO10860 [0,0,0,1,0,0|2,0,1]=4 115 B9R2.139 O=C1NC2(CC2)CO1 DY575961 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.8 CN1CCC1CN DY104666 [0,0,0,0,1,0|3,0,0]=4 117 B7R1.8 NCC1CCC1F DY528009 [0,0,0,0,1,0|2,0,1]=4 118 B7R1.10 COC1CC(=O)N1 DY548379 [0,0,0,0,1,0|2,0,0]=3 119 B7R1.10 NCC1CC(=O)C1 DY522525 [0,0,0,0,1,0|2,0,0]=3 120 B9R1.1 CNC1CCC(=O)CC1 NO14610 [0,0,0,0,0,1|2,0,0]=3 121 B9R1.1 COC1CCC(=O)CC1 NO14437 [0,0,0,0,0,1|2,0,0]=3 122 B9R1.1 N[C@@H]1CC[C@@H](CO)OC1 DY741667 [0,0,0,0,0,1|2,0,1]=4 123 B9R1.2 C[C@@H]1CNC[C@@H](CO)O1 DY607305 [0,0,0,0,0,1|2,0,1]=4 124 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [0,0,0,0,0,1|2,0,0]=3 125 B9R1.2 O=C1COCC(CO)N1 NO17255 [0,0,0,0,0,1|2,0,0]=3 126 B6R0.1 CCCC(=O)NN NO22544 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.1 CCCC(O)CO NO20495 [1,0,1,0,0,0|1,0,1]=4 128 B6R0.1 CCNC(=O)CN DY461322 [1,0,1,0,0,0|2,0,0]=4 129 B6R0.1 CCOC(=O)CC DY460554 [1,0,1,0,0,0|0,0,0]=2 130 B6R0.1 CCOC(=O)CN DY700831 [1,0,1,0,0,0|1,0,0]=3 131 B6R0.1 CCOC(=O)CN NO15347 [1,0,1,0,0,0|1,0,0]=3 132 B6R0.1 CCOC(=O)CO NO11386 [1,0,1,0,0,0|1,0,0]=3 133 B6R0.1 CCOC(=O)NN NO11383 [1,0,1,0,0,0|2,0,0]=4 134 B6R0.1 COC(=O)CCCl DY741043 [1,0,1,0,0,0|2,0,0]=4 135 B6R0.1 COC(=O)CCN NO22266 [1,0,1,0,0,0|2,0,0]=4 136 B6R0.1 COC(=O)CSC DY460536 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.1 NCCC(O)CO DY608108 [1,0,1,0,0,0|2,0,0]=4 138 B6R0.1 OC(CBr)CCBr DY740743 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.2 CC(=O)NC(C)C DY461094 [1,0,1,0,0,0|1,0,0]=3 140 B6R0.4 C#CCCC(=O)O DY428029 [1,0,1,0,0,0|0,0,2]=4 141 B6R0.4 C=CCCC(=O)O NO15216 [1,0,1,0,0,0|0,0,2]=4 142 B6R0.4 CC(=O)CCCBr NO10305 [1,0,1,0,0,0|2,0,0]=4 143 B6R0.4 CC(=O)CCCCl NO10334 [1,0,1,0,0,0|2,0,0]=4 144 B6R0.4 CC(=O)NCCCl DY33011 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.4 CCCCC(C)O DY740779 [1,0,1,0,0,0|1,0,1]=4 146 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,1,0,0,0|1,0,1]=4 147 B6R0.4 CSCCC(C)=O DY740809 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.4 N#CCCC(=O)O NO22262 [1,0,1,0,0,0|1,0,1]=4 149 B6R0.4 NCCCC(=O)O NO14998 [1,0,1,0,0,0|1,0,0]=3 150 B6R0.4 NCCNC(=O)O DY822495 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.4 O=C(O)CCCBr NO14053 [1,0,1,0,0,0|1,0,0]=3 152 B6R0.6 C=CCCCCCl DY427568 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.6 C=CCCCCO NO10397 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.6 CCCCON=O DY461106 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.6 CCCCSCC DY740893 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.6 CCCOCCO DY740785 [1,0,1,0,0,0|1,0,1]=4 157 B6R0.6 CNCCCCO DY554133 [1,0,1,0,0,0|1,0,1]=4 158 B6R0.6 COCCCCO DY741295 [1,0,1,0,0,0|1,0,1]=4 159 B6R0.6 O=CCCCC=O DY822316 [1,0,1,0,0,0|1,0,1]=4 160 B6R0.6 O=CCCCCBr DY510224 [1,0,1,0,0,0|1,0,0]=3 161 B6R0.6 OCCCCCCl NO14778 [1,0,1,0,0,0|1,0,1]=4 162 B6R0.6 OCCCCCF DY822292 [1,0,1,0,0,0|1,0,1]=4 163 B6R0.6 OCCCCCO NO20549 [1,0,1,0,0,0|1,0,1]=4 164 B6R0.9 C=CC(CC)CO DY822489 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.9 CCC(CN)OC DY610294 [1,0,1,0,0,0|1,0,1]=4 166 B6R0.9 COC(C=O)OC DY822359 [1,0,1,0,0,0|2,0,0]=4 167 B6R1.2 CC1=NCCC1 NO21664 [2,0,0,0,0,0|2,0,0]=4 168 B6R1.2 CC1CCCN1 NO21699 [2,0,0,0,0,0|1,0,1]=4 169 B6R1.2 CC1CCCN1 NO21700 [2,0,0,0,0,0|1,0,1]=4 170 B6R1.2 CC1CCCO1 DY20580 [2,0,0,0,0,0|0,0,1]=3 171 B6R1.2 CC1CCNC1 DY667237 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.2 C[C@@H]1CCCN1 NO18299 [2,0,0,0,0,0|1,0,1]=4 173 B6R1.2 C[C@H]1CCCN1 NO18800 [2,0,0,0,0,0|1,0,1]=4 174 B6R1.2 C[C@H]1CCCN1 NO19735 [2,0,0,0,0,0|1,0,1]=4 175 B6R1.2 N=C1CCCS1 DY556065 [2,0,0,0,0,0|1,1,0]=4 176 B6R1.2 NC1=NCCC1 NO19310 [2,0,0,0,0,0|2,0,0]=4 177 B6R1.2 O=C1CCCC1 DY21085 [2,0,0,0,0,0|1,0,0]=3 178 B6R1.2 O=C1CCNC1 NO22412 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.2 O=C1CCOC1 NO18178 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 O=C1CCSC1 DY20305 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 O=C1N=CCO1 DY565077 [2,0,0,0,0,0|1,0,1]=4 182 B6R1.2 O=C1NCCN1 NO21607 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 S=C1NCCO1 DY561801 [2,0,0,0,0,0|1,1,0]=4 184 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O DY437802 [0,1,1,0,0,0|2,0,0]=4 185 B8R0.5 COCC(C)OC(C)=O DY822378 [0,1,1,0,0,0|0,0,0]=2 186 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,1,1,0,0,0|2,0,0]=4 187 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [0,1,1,0,0,0|2,0,0]=4 188 B8R0.1 CCC#CC(=O)OCC DY560139 [0,1,1,0,0,0|1,0,1]=4 189 B8R0.1 CCOC(=O)CCCCl DY822383 [0,1,1,0,0,0|2,0,0]=4 190 B8R0.1 CCOC(=O)CCCO DY111642 [0,1,1,0,0,0|2,0,0]=4 191 B8R0.1 CCOCC(=O)OCC DY461136 [0,1,1,0,0,0|2,0,0]=4 192 B8R0.1 CNCC(=O)NCCO DY741259 [0,1,1,0,0,0|2,0,0]=4 193 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,1,1,0,0,0|2,0,0]=4 194 B8R0.3 O=CC[C@H](O)[C@H](O)CO NO21863 [0,1,1,0,0,0|1,0,0]=3 195 B8R0.6 CCCCNC(=O)CCl NO11766 [0,1,1,0,0,0|2,0,0]=4 196 B8R0.6 NCC(=O)NCCCO DY741271 [0,1,1,0,0,0|2,0,0]=4 197 B8R0.6 O=CCCCC(O)C=O DY822725 [0,1,1,0,0,0|1,0,1]=4 198 B8R0.9 C=CC(=O)OCC(C)C DY822663 [0,1,1,0,0,0|0,0,2]=4 199 B8R0.9 C=CC(=O)OCC(C)O NO21600 [0,1,1,0,0,0|0,0,2]=4 200 B8R0.7 CCCCCCC(=O)O DY822462 [0,1,1,0,0,0|0,0,0]=2 201 B8R0.7 CCCCCC[C@H](C)O DY626179 [0,1,1,0,0,0|1,0,1]=4 202 B8R0.7 CCOCCOC(=O)Cl DY797049 [0,1,1,0,0,0|2,0,0]=4 203 B8R0.7 CSCCCCC(=O)O DY112374 [0,1,1,0,0,0|0,0,0]=2 204 B8R0.7 NCCCCCC(=O)O NO13381 [0,1,1,0,0,0|0,0,0]=2 205 B8R0.7 NCCOCCC(=O)O DY739157 [0,1,1,0,0,0|1,0,0]=3 206 B8R0.7 O=C(O)CCCCCBr NO18405 [0,1,1,0,0,0|0,0,0]=2 207 B8R0.21 CCCCCS(=O)(=O)[O-] DY445019 [0,1,1,0,0,0|1,0,1]=4 208 B8R0.21 CCCCCS(=O)(=O)[O-] DY445025 [0,1,1,0,0,0|1,0,1]=4 209 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,1,1,0,0,0|0,0,1]=3 210 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,1,1,0,0,0|1,0,1]=4 211 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,1,1,0,0,0|0,0,0]=2 212 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,1,1,0,0,0|1,0,0]=3 213 B8R0.28 NC(=O)CCCC(=O)O DY604617 [0,1,1,0,0,0|1,0,1]=4 214 B8R1.7 CC(=O)C1CCCO1 DY586599 [1,1,0,0,0,0|0,0,2]=4 215 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [1,1,0,0,0,0|0,0,2]=4 216 B8R1.7 CC(N)C1CCCO1 DY580113 [1,1,0,0,0,0|0,0,1]=3 217 B8R1.7 CC(O)C1CCCC1 DY757207 [1,1,0,0,0,0|1,0,1]=4 218 B8R1.8 BrCCC1OCCO1 NO18251 [1,1,0,0,0,0|1,0,1]=4 219 B8R1.8 CNCC1CCOC1 DY537651 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.8 CNCC1CCOC1 DY568737 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.8 COCC1CCCN1 DY571095 [1,1,0,0,0,0|1,0,1]=4 222 B8R1.8 COC[C@@H]1CCCN1 NO20310 [1,1,0,0,0,0|1,0,1]=4 223 B8R1.8 COC[C@H]1CCNC1 DY522807 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.8 CSCC1CCNC1 DY585729 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.8 N#CCC1CCCO1 DY759470 [1,1,0,0,0,0|0,0,2]=4 226 B8R1.8 NCCC1OCCO1 DY758978 [1,1,0,0,0,0|1,0,1]=4 227 B8R1.8 OCCC1CCNC1 DY666359 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.52 CC1(CO)CCCO1 DY585353 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.52 CCC1(C)CCNC1 DY550311 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.52 CCC1(C)CCNC1 DY585216 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.52 CCC1(N)CCCC1 DY603592 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.18 O=C1CC(Br)C(=O)O1 DY822751 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.51 CC1(C)CNC(=O)C1 NO22480 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.51 CC1(O)CNC(=O)C1 DY559053 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.51 CC1COS(=O)(=O)O1 DY770145 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.6 CCCC1CC(=O)C1 DY561087 [0,1,0,0,1,0|1,0,0]=3 238 B10R1.1 CCCN1CCC(=O)CC1 DY543021 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.13 CC(C)N1CCC(=O)CC1 DY559023 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.25 CCC1CNC(=O)CC1O DY639106 [0,1,0,0,0,1|1,0,0]=3 241 B10R1.25 CNC1CCC(=O)NC1=O DY525621 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.176 CCC1CN(C)C(=O)CN1 DY500199 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.8 CCN1CC(=O)O[C@@H](C)C1 DY625357 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.113 CC(C)C1CC(=O)CCN1 DY774399 [0,1,0,0,0,1|1,0,0]=3 245 B10R1.113 CC(C)C1CCCC(=O)C1 DY756979 [0,1,0,0,0,1|1,0,0]=3 246 B10R1.113 CC(C)C1CCCC(=O)N1 DY585707 [0,1,0,0,0,1|1,0,0]=3 247 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 DY501044 [0,1,0,0,0,1|1,0,0]=3 248 B10R1.113 CC(C)[C@H]1COCC(=O)N1 DY516069 [0,1,0,0,0,1|1,0,0]=3 249 B10R1.14 COC(=O)C1CCC(=O)N1 NO15487 [0,2,0,0,0,0|1,0,1]=4 250 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 DY104918 [0,2,0,0,0,0|1,0,1]=4 251 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 NO14546 [0,2,0,0,0,0|1,0,1]=4 252 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 DY625891 [0,2,0,0,0,0|1,0,1]=4 253 B10R1.54 CC(C)C[C@H]1CCC(=O)N1 DY513969 [0,2,0,0,0,0|1,0,0]=3 254 B10R1.95 CCCC1COS(=O)(=O)O1 DY822772 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.95 CCNC1CCS(=O)(=O)C1 DY602767 [0,2,0,0,0,0|2,0,0]=4 256 B10R1.130 CCO[C@H]1OC(=O)C[C@@H]1N DY621266 [0,2,0,0,0,0|0,0,0]=2 257 B10R1.36 CC1(C)C[C@@H](CN)NC1=O DY586099 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 DY523077 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 DY625411 [0,2,0,0,0,0|2,0,0]=4 260 B8R1.4 CC1CCNC(=O)N1 DY694421 [0,0,1,1,0,0|2,0,0]=4 261 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,0,1,1,0,0|2,0,0]=4 262 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,0,1,1,0,0|2,0,0]=4 263 B8R1.4 O=C1CCCC(=O)O1 NO11243 [0,0,1,1,0,0|1,0,1]=4 264 B8R1.34 CC(=O)NC1CNC1 DY502431 [0,0,1,1,0,0|2,0,0]=4 265 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,0,1,1,0,0|2,0,0]=4 266 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,0,1,1,0,0|2,0,0]=4 267 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,0,1,1,0,0|2,0,0]=4 268 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [0,0,1,1,0,0|2,0,0]=4 269 B8R1.2 CNC1CCC=CO1 DY795717 [0,0,1,1,0,0|2,0,0]=4 270 B8R1.2 COC1CCC=CO1 DY822724 [0,0,1,1,0,0|2,0,0]=4 271 B8R1.2 OCC1CCC=CO1 DY20505 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,0,1,1,0,0|0,0,0]=2 273 B8R1.3 CC1CCC(O)CC1 DY562059 [0,0,1,1,0,0|1,0,1]=4 274 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,0,1,1,0,0|2,0,0]=4 275 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,0,1,1,0,0|2,0,0]=4 276 B8R1.3 CN1CCC(O)CC1 NO13491 [0,0,1,1,0,0|2,0,0]=4 277 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,0,1,1,0,0|1,0,0]=3 278 B8R1.3 NC1CCC(=O)NC1 DY444382 [0,0,1,1,0,0|2,0,0]=4 279 B8R1.3 NC1CCC(O)CC1 DY585958 [0,0,1,1,0,0|1,0,1]=4 280 B8R1.3 NC1CCC(O)CC1 NO18581 [0,0,1,1,0,0|1,0,1]=4 281 B8R1.3 N[C@H]1CC[C@@H](O)CC1 NO15381 [0,0,1,1,0,0|1,0,1]=4 282 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO12038 [0,0,1,1,0,0|1,0,1]=4 283 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO18592 [0,0,1,1,0,0|1,0,1]=4 284 B8R1.3 O=C1CCC(=O)CC1 NO19236 [0,0,1,1,0,0|0,0,2]=4 285 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,0,1,1,0,0|0,0,0]=2 286 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,0,1,1,0,0|1,0,0]=3 287 B8R1.3 O[C@H]1CC[C@@H](F)CC1 DY585400 [0,0,1,1,0,0|1,0,1]=4 288 B8R1.5 CC1CNCCC1O DY549411 [0,0,1,1,0,0|2,0,0]=4 289 B8R1.5 CC1NCCNC1=O DY543543 [0,0,1,1,0,0|2,0,0]=4 290 B8R1.5 CN1CCCNC1=O DY502023 [0,0,1,1,0,0|2,0,0]=4 291 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [0,0,1,1,0,0|2,0,0]=4 292 B8R1.5 N[C@H]1CCCNC1=O DY106744 [0,0,1,1,0,0|2,0,0]=4 293 B8R1.5 N[C@H]1CCCNC1=O DY554319 [0,0,1,1,0,0|2,0,0]=4 294 B8R1.5 O=C1CCCCC1Br DY573183 [0,0,1,1,0,0|2,0,0]=4 295 B8R1.5 O=C1NCCCC1O NO19689 [0,0,1,1,0,0|2,0,0]=4 296 B8R1.5 O=C1NCCC[C@H]1O DY541749 [0,0,1,1,0,0|2,0,0]=4 297 B8R1.5 O=C1OCCCC1O NO16147 [0,0,1,1,0,0|1,0,0]=3 298 B8R1.22 C=C1OCCCCO1 DY567825 [0,0,1,1,0,0|2,0,0]=4 299 B8R1.22 O=C1CCCCCC1 DY461238 [0,0,1,1,0,0|1,0,0]=3 300 B8R1.22 O=C1CCCNCC1 NO19096 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.22 O=C1CCNCCN1 NO18857 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.22 O=C1OCCCCO1 DY770703 [0,0,1,1,0,0|1,0,0]=3 303 B8R1.22 O[C@H]1CCCOCC1 DY770757 [0,0,1,1,0,0|0,0,2]=4 304 B8R1.38 CCC(=O)C1COC1 DY526161 [0,0,1,1,0,0|2,0,0]=4 305 B8R1.38 CCC(O)C1COC1 DY526581 [0,0,1,1,0,0|2,0,0]=4 306 B8R1.38 CNC(=O)C1CCC1 DY514599 [0,0,1,1,0,0|2,0,0]=4 307 B8R1.38 O=C(CBr)C1CCC1 DY742339 [0,0,1,1,0,0|2,0,0]=4 308 B8R1.35 O=C(O)CCC1CC1 NO19562 [0,0,1,1,0,0|0,0,0]=2 309 B8R2.34 C1=CC2CC1CN2 DY566295 [1,0,0,1,0,0|2,0,0]=4 310 B8R2.34 C1=CC2CCC1C2 NO11805 [1,0,0,1,0,0|1,0,0]=3 311 B8R2.34 C1CC2CCC1C2 DY753433 [1,0,0,1,0,0|1,0,1]=4 312 B8R2.34 C1CC2CCC1N2 NO10780 [1,0,0,1,0,0|1,0,1]=4 313 B8R2.34 C1C[C@H]2CC1CN2 DY620286 [1,0,0,1,0,0|1,0,1]=4 314 B8R2.34 C1O[C@@H]2CN[C@H]1C2 NO12565 [1,0,0,1,0,0|1,0,1]=4 315 B8R2.34 C1O[C@H]2CN[C@@H]1C2 DY103903 [1,0,0,1,0,0|1,0,1]=4 316 B8R2.55 C1CC2(CC2)CN1 DY534537 [1,0,0,1,0,0|2,0,0]=4 317 B10R2.178 O=C1NCC2CCC1N2 DY105362 [0,0,0,1,0,1|2,0,0]=4 318 B10R2.71 O=C1CC2CCC(C1)N2 NO18910 [0,0,0,1,0,1|1,0,0]=3 319 B10R2.534 O=C1CCCC2(CC2)N1 NO17693 [0,0,0,1,0,1|1,0,0]=3 320 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 DY459558 [0,1,0,1,0,0|0,0,1]=3 321 B10R2.2 O=C1C[C@H]2C=CC[C@H]2O1 DY684928 [0,1,0,1,0,0|0,0,1]=3 322 B10R2.2 O[C@H]1C[C@@H]2CCO[C@@H]2O1 DY531747 [0,1,0,1,0,0|0,0,2]=4 323 B10R2.14 O=C1CC[C@@H](C2CC2)N1 DY586260 [0,1,0,1,0,0|1,0,0]=3 324 B10R2.32 O=C1CCC2CNCC12 DY686041 [0,1,0,1,0,0|1,0,0]=3 325 B10R2.138 C1CC2CCC(CN1)O2 DY586085 [0,1,0,1,0,0|1,0,1]=4 326 B10R2.332 O=C1CC2(CNC2)CN1 NO17396 [0,1,0,1,0,0|2,0,0]=4 327 B10R2.332 O=C1CCC2(CNC2)N1 DY529329 [0,1,0,1,0,0|1,0,0]=3 328 B6R0.3 CC(=O)C(C)C=O DY459582 [0,0,1,0,1,0|1,0,1]=4 329 B6R0.3 CCC(N)C(=O)O NO14084 [0,0,1,0,1,0|2,0,0]=4 330 B6R0.3 CCC(O)C(=O)O DY562593 [0,0,1,0,1,0|2,0,0]=4 331 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,0,1,0,1,0|2,0,0]=4 332 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,0,1,0,1,0|2,0,0]=4 333 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,0,1,0,1,0|2,0,0]=4 334 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,0,1,0,1,0|2,0,0]=4 335 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,0,1,0,1,0|2,0,0]=4 336 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,0,1,0,1,0|2,0,0]=4 337 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,0,1,0,1,0|2,0,0]=4 338 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [0,0,1,0,1,0|2,0,0]=4 339 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [0,0,1,0,1,0|2,0,0]=4 340 B6R0.3 COC(C)C(=O)O NO14024 [0,0,1,0,1,0|2,0,0]=4 341 B6R0.3 CON(C)C(C)=O NO11789 [0,0,1,0,1,0|2,0,0]=4 342 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,0,1,0,1,0|2,0,0]=4 343 B6R1.6 BrCC1CCC1 DY10470 [1,0,0,0,1,0|1,0,1]=4 344 B6R1.6 NCC1CCC1 DY554907 [1,0,0,0,1,0|1,0,1]=4 345 B6R1.6 NCC1CCC1 NO11178 [1,0,0,0,1,0|1,0,1]=4 346 B6R1.6 NCC1CCS1 DY585795 [1,0,0,0,1,0|1,1,0]=4 347 B6R1.6 OCC1CCO1 NO15009 [1,0,0,0,1,0|1,0,0]=3 348 B6R1.6 OC[C@@H]1CCN1 NO15230 [1,0,0,0,1,0|2,0,0]=4 349 B6R1.4 NN1CCC1=O DY585858 [1,0,0,0,1,0|2,0,0]=4 350 B6R1.5 C=C1CC(=O)O1 DY732691 [1,0,0,0,1,0|0,0,2]=4 351 B6R1.5 CN1CC(=O)C1 DY533589 [1,0,0,0,1,0|2,0,0]=4 352 B6R1.5 NC1CC(=O)C1 DY444232 [1,0,0,0,1,0|2,0,0]=4 353 B6R1.5 NC1CC(=O)C1 DY756175 [1,0,0,0,1,0|2,0,0]=4