0 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O DY437802 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.2 COC(C)C(Br)C(=O)O DY797457 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O DY740365 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.2 CNC(C)CC(=O)O DY606375 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 CCCC(=O)N(C)C DY584357 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.5 CCCC(C)C(C)=O DY740965 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.5 CCOC(=O)C(N)=S NO11392 [1,0,0,0,0,0|2,1,0]=4 12 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.5 COC[C@H](N)C(=O)O NO16755 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 COC[C@H](N)C(=O)O NO20335 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 NC(CCO)C(=O)O NO13886 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 NCCC(N)C(=O)O DY700789 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 NCCC(N)C(=O)O NO15080 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 NCCC(O)C(=O)O NO15496 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.10 CCC(Br)C(=O)OC NO14136 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.10 CNC(=O)[C@H](C)NC DY608115 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.10 COC(=O)C(C)OC DY822756 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.10 COC(C)C(=O)NN DY604048 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.16 CC(=O)C(=O)C(C)Br DY822550 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.16 CC(C)C(=O)C(=O)[O-] NO22357 [1,0,0,0,0,0|0,0,1]=2 33 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.16 CN(C)C(=O)C(=O)O NO11735 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.16 O=C(O)C(=O)C(Br)Br NO18490 [1,0,0,0,0,0|2,0,0]=3 41 B9R0.41 CCC(CC)C(N)C(=O)O DY523539 [0,1,0,0,0,0|1,0,1]=3 42 B9R0.41 CCC(CC)[C@@H](N)C(=O)O DY628065 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.41 CCN(CC)C(C)C(=O)O DY585459 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.3 CN1CCC[C@@H](O)C1=O DY586206 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.41 CN1CCC[C@H]1C(=O)O NO11794 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.41 NC1=C(C(=O)O)CCC1 DY571317 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.41 NC1CCCC1C(=O)O DY585767 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O DY550977 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O DY585907 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F DY586005 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F DY545055 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.110 CC(C(=O)O)C1CCC1 DY586363 [0,0,0,1,0,0|1,0,1]=3 53 B9R1.110 CC(C(=O)O)N1CCC1 DY607944 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.110 N[C@H](C(=O)O)C1CCC1 DY444508 [0,0,0,1,0,0|1,0,1]=3 55 B9R1.132 CCN1CC[C@@H](O)C1=O DY586205 [0,0,0,1,0,0|2,0,1]=4 56 B9R0.42 CCC(C)NC(=O)C(=O)O DY604587 [0,0,0,0,0,1|0,0,0]=1 57 B6R0.1 CCCC(=O)NN NO22544 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 CCOC(=O)CO NO11386 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.2 CC(=O)NC(C)C DY461094 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.2 CC(C)=CC(=O)O NO14947 [2,0,0,0,0,0|0,0,1]=3 61 B6R0.2 CC(C)=CC(N)=O DY795567 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.2 CN(C)CC(=O)O NO13413 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.2 C[C@H](N)CC(=O)O NO20346 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.2 C[C@H](O)CC(=O)O DY426021 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 CC\C=C\C(C)=O DY822743 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.4 NCCCC(=O)O NO14998 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.4 NCCNC(=O)O DY822495 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 NC\C=C\C(=O)O DY552195 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 O=C(O)CCCBr NO14053 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.3 C=CC(=O)N(C)C DY545499 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.3 C=CC(C)C(=O)O DY559155 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.3 CC(C)C(=O)CCl DY740659 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.3 CC(C)\C(N)=N\O DY574395 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.3 CCC(=O)C(=O)O NO21626 [2,0,0,0,0,0|0,0,0]=2 76 B6R0.3 CCC(N)C(=O)O NO14084 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.3 CCC(O)C(=O)O DY562593 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.3 CCC(O)C(=O)[O-] DY557445 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.3 CC[C@H](N)C(=O)O NO13661 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.3 CC[C@H](N)C(N)=O DY436006 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.3 CC[C@H](N)C(N)=O NO15891 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.3 COC(=O)C(C)C DY41931 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.3 COC(C)C(=O)O NO14024 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.3 NC(CO)C(=O)O NO18949 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.3 NC(CS)C(=O)O NO19655 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.3 NCC(N)C(=O)O DY702709 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.3 NCC(N)C(=O)O DY703093 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.3 NCC(N)C(=O)O NO19624 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.3 NC[C@H](N)C(=O)O NO14756 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 N[C@H](CO)C(=O)O NO14731 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.3 N[C@H](CS)C(=O)O DY439001 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.3 N[C@H](CS)C(=O)O NO19417 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.3 O=C(O)C(Br)CBr NO15215 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 O=C(O)C(Br)CF DY741307 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 O=C(O)C(O)CCl DY10790 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.3 O=C(O)[C@H](O)CS DY740539 [2,0,0,0,0,0|2,0,0]=4 110 B8R0.5 COCC(C)OC(C)=O DY822378 [1,1,0,0,0,0|2,0,0]=4 111 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [1,1,0,0,0,0|0,0,1]=3 113 B8R0.34 CC(C)(CN)CC(=O)O DY578367 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.3 C=C(CO)C(=O)OCC NO20908 [1,1,0,0,0,0|2,0,0]=4 115 B8R0.3 CCOC(=O)C(=O)CBr NO18430 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.3 CCOC(=O)C(=O)CC NO13439 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.3 CCOC(=O)C(=O)NN NO13814 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.3 CCOC(=O)\C(Cl)=N\O NO16217 [1,1,0,0,0,0|2,0,0]=4 119 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [1,1,0,0,0,0|0,0,1]=3 121 B8R0.8 CSCCC(N)C(=O)O DY500936 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.20 C=CC(=O)N(CC)CC DY461154 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.20 CCN(CC)C(=O)CO DY552687 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.18 CC(C)[C@H](CN)C(=O)O DY539799 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.27 CC(C(=O)O)C(C)(C)C DY585455 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.27 CC(C)(C)C(N)C(=O)O NO18608 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O NO18601 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.27 CC(C)(C)[C@H](N)C(=O)O NO18605 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.27 CC(C)(O)[C@H](N)C(=O)O DY542709 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.27 C[C@H](C(=O)O)C(C)(C)C DY585444 [1,1,0,0,0,0|1,0,1]=4 135 B10R0.35 CCOC(=O)C(N)C(C)CC DY799005 [0,2,0,0,0,0|1,0,1]=4 136 B8R1.1 CCC1COC(=O)N1 DY607707 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.4 CC1CCNC(=O)N1 DY694421 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.4 CN1CCOC(=O)C1 NO17566 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.18 CC1=CC(=O)OC1O NO22773 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.34 O=C(O)C=C1CCC1 DY544251 [1,0,0,1,0,0|0,0,1]=3 143 B8R1.34 O=C(O)CC1CCC1 NO11177 [1,0,0,1,0,0|0,0,1]=3 144 B8R1.34 O=C(O)CC1CCN1 DY584158 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.34 O=C(O)CN1CCC1 DY719380 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.42 O=C(O)CC1(O)CC1 DY580923 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [1,0,0,1,0,0|0,0,1]=3 148 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [1,0,0,1,0,0|0,0,1]=3 149 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [1,0,0,1,0,0|0,0,1]=3 150 B8R1.5 O=C1CCCCC1=O NO20486 [1,0,0,1,0,0|1,0,0]=3 151 B8R1.5 O=C1CCCCN1O DY822177 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.5 O=C1NCCNC1=O DY517029 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.5 O=C1OCCCC1O NO16147 [1,0,0,1,0,0|0,0,2]=4 154 B8R1.7 O=C(O)C1=NCCC1 DY584439 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.7 O=C(O)C1CCCN1 NO18287 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.7 O=C(O)C1CCCO1 DY20393 [1,0,0,1,0,0|0,0,2]=4 157 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [1,0,0,1,0,0|0,0,2]=4 158 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [1,0,0,1,0,0|0,0,2]=4 160 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.54 N[C@@H](C(=O)O)C1CC1 DY556701 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.54 O=C(O)C(=O)C1CC1 NO15905 [1,0,0,1,0,0|0,0,0]=2 163 B8R1.54 O=C([O-])C(=O)C1CC1 DY121058 [1,0,0,1,0,0|0,0,1]=3 164 B8R1.78 CC1(C(=O)O)CCC1 DY21173 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.78 NC1(C(=O)O)CCC1 NO20591 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.38 CNC(=O)C1CCC1 DY514599 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.38 O=C(CBr)C1CCC1 DY742339 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [1,0,0,1,0,0|0,0,2]=4 169 B8R1.50 CN1CC[C@@H](O)C1=O DY563481 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.77 CC1(C)C[C@@H]1C(=O)O NO19841 [1,0,0,1,0,0|1,0,1]=4 171 B10R1.25 CNC1CCC(=O)NC1=O DY525621 [0,0,0,1,0,1|2,0,0]=4 172 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C DY536097 [0,0,0,1,0,1|2,0,0]=4 173 B10R1.475 CCC1(C)NC(=O)NC1=O DY559251 [0,0,0,1,0,1|1,0,0]=3 174 B10R1.58 C[C@@H]1C[C@@H](C(=O)O)N[C@@H]1C DY525111 [0,0,0,1,0,1|1,0,1]=4 175 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 NO13084 [0,0,0,1,0,1|1,0,1]=4 176 B10R1.23 CC(C(=O)O)C1CCCC1 DY757249 [0,1,0,1,0,0|1,0,1]=4 177 B10R1.61 CC1=C(C(=O)O)SCCO1 DY565845 [0,1,0,1,0,0|0,1,1]=4 178 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O DY620533 [0,1,0,1,0,0|1,0,1]=4 179 B10R1.81 NC(C(=O)O)C1CC(F)C1 DY703771 [0,1,0,1,0,0|1,0,1]=4 180 B10R1.291 CC1NCCC1(O)C(=O)O DY534543 [0,1,0,1,0,0|0,0,2]=4 181 B10R1.319 CSCC1C[C@@]1(N)C(=O)O DY741877 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.159 CC[C@@H]1C[C@@]1(N)C(=O)OC DY620304 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.191 CC1=C(C)C(C)C(C)C1=O DY426129 [0,1,0,1,0,0|2,0,0]=4 184 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O DY585339 [0,1,0,1,0,0|1,0,1]=4 185 B10R1.483 CCC1(CC)CC1C(=O)O DY601393 [0,1,0,1,0,0|1,0,1]=4 186 B10R2.344 O=C(O)C12CC1CCN2 DY517881 [0,0,0,2,0,0|1,0,1]=4 187 B10R2.355 O=C(O)C1NCC2CC21 DY685493 [0,0,0,2,0,0|1,0,1]=4