0 B7R0.5 C#CC[C@@H](N)C(=O)O DY21037 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C#CC[C@H](N)C(=O)O NO13900 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 CCCC(C)C(C)=O DY740965 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.5 COC[C@H](N)C(=O)O NO16755 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.5 COC[C@H](N)C(=O)O NO20335 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.5 NC(CCO)C(=O)O NO13886 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.5 NCCC(N)C(=O)O DY700789 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.5 NCCC(N)C(=O)O NO15080 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.5 NCCC(O)C(=O)O NO15496 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 C=CC(O)CCN DY787899 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CC(CN)CCN DY791871 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CCCC(C)CBr DY112368 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.1 CCCC(O)CO NO20495 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.1 NCCC(O)CO DY608108 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 C=CC(C)C(=O)O DY559155 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.3 C=CC(O)C(=O)O DY586439 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.3 CC(=O)C(C)C=O DY459582 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 CCC(=O)C(=O)O NO21626 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.3 CCC(N)C(=O)O NO14084 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.3 CCC(O)C(=O)O DY562593 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.3 CCC(O)C(=O)[O-] DY557445 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.3 CC[C@H](N)C(=O)O NO13661 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.3 CC[C@H](N)C(N)=O DY436006 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 CC[C@H](N)C(N)=O NO15891 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 COC(C)C(=O)O NO14024 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 CON(C)C(C)=O NO11789 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.3 NC(=O)C(N)CO DY544785 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.3 NC(=O)[C@H](N)CO DY504027 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.3 NC(CO)C(=O)O NO18949 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.3 NC(CS)C(=O)O NO19655 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.3 NCC(N)C(=O)O DY702709 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.3 NCC(N)C(=O)O DY703093 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.3 NCC(N)C(=O)O NO19624 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.3 NC[C@H](N)C(=O)O NO14756 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.3 N[C@H](CO)C(=O)O NO14731 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 N[C@H](CS)C(=O)O DY439001 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 N[C@H](CS)C(=O)O NO19417 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.3 O=C(O)C(Br)CBr NO15215 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.3 O=C(O)C(Br)CF DY741307 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 O=C(O)C(O)CCl DY10790 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.3 O=C(O)[C@H](O)CS DY740539 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.4 C#CCCC(=O)O DY428029 [1,0,0,0,0,0|0,0,2]=3 66 B6R0.4 C=CCCC(=O)O NO15216 [1,0,0,0,0,0|0,0,2]=3 67 B6R0.4 CC(=O)CCCBr NO10305 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CC(=O)CCCCl NO10334 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CC(=O)NCCCl DY33011 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 CCCCC(C)O DY740779 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.4 CCCC[SiH](C)C DY500283 [1,0,0,0,0,0|2,1,0]=4 72 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.4 COCCC(=N)N DY569565 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 CSCCC(C)=O DY740809 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.4 N#CCCC(=O)O NO22262 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.4 NCCCC(=O)O NO14998 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.4 NCCNC(=O)O DY822495 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 NC\C=C\C(=O)O DY552195 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.4 O=C(O)CCCBr NO14053 [1,0,0,0,0,0|1,0,0]=2 80 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O DY437802 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.2 COC(=O)C(C)C(=O)O DY547743 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.2 COC(C)C(Br)C(=O)O DY797457 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O DY740365 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO NO13317 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO DY577845 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.3 C=CC[C@@H](N)C(=O)OC DY628161 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,1,0,0,0,0|0,0,0]=1 88 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [0,1,0,0,0,0|1,0,2]=4 89 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.12 C=CCC(C)(C)C(=O)O DY20650 [0,1,0,0,0,0|0,0,2]=3 94 B8R0.15 CCCC(CN)N(C)C DY605056 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O DY700585 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.23 C=C(CC(C)C)C(C)=O DY740959 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.23 CC(=O)N[C@@H](C)C(=O)O DY436012 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.23 CC(C)CC(Br)C(=O)O NO14792 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.23 CC(C)CC(N)C(=O)O NO22248 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.23 CC(C)C[C@@H](N)C(=O)O NO18600 [0,1,0,0,0,0|1,0,0]=2 102 B8R0.23 CC(C)C[C@@H](N)C(N)=O DY437833 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.23 CC(C)C[C@H](N)C(=O)O NO18604 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.23 CC(C)OC(C)C(=O)O DY603788 [0,1,0,0,0,0|1,0,0]=2 105 B8R0.23 CC(CC(=O)O)C(=O)O DY556815 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.23 NC(=O)C[C@@H](N)C(=O)O NO19152 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.23 NC(CC(=O)O)C(=O)O DY793569 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O DY501789 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.23 N[C@H](CC(=O)O)C(=O)O DY563601 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.23 N[C@H](CC(=O)O)C(=O)O NO18065 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.23 O=C(O)CC(O)C(=O)O NO11286 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O DY622059 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DY20429 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.23 O=C(O)C[C@H](S)C(=O)O DY625003 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.5 CC1=NCCCN1C DY20695 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.5 CC1CNCCC1O DY549411 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.5 CC1NCCNC1=O DY543543 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.5 CN1CCCNC1=O DY502023 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.5 CN1CCNCC1=O DY734647 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.5 CN1CCNCC1=O NO17040 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.5 CN1CCNCC1=O NO18390 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.5 C[C@H]1CCCC[C@H]1N DY540861 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.5 C[C@H]1CCNC[C@H]1O DY103745 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.5 N[C@@H]1CCCC[C@@H]1O NO12548 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.5 N[C@@H]1CCCC[C@H]1O DY584529 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.5 N[C@@H]1CCCC[C@H]1O NO12403 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.5 N[C@@H]1CCCC[C@H]1O NO18590 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.5 N[C@H]1CCCC[C@@H]1O DY20824 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.5 N[C@H]1CCCC[C@@H]1O NO14928 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.5 N[C@H]1CCCC[C@H]1O DY20710 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.5 N[C@H]1CCCC[C@H]1O NO12547 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.5 N[C@H]1CCCNC1=O DY106744 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.5 N[C@H]1CCCNC1=O DY554319 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.5 O=C1CCCCC1=O NO20486 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.5 O=C1CCCCC1Br DY573183 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.5 O=C1CCCCN1O DY822177 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.5 O=C1CCOCC1F DY458969 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.5 O=C1NCCCC1O NO19689 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.5 O=C1NCCC[C@H]1O DY541749 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.5 O=C1OCCCC1O NO16147 [0,0,0,1,0,0|1,0,0]=2 142 B8R1.5 O[C@@H]1CCCC[C@H]1O NO12029 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,0,0,1,0,0|1,0,0]=2 145 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.7 CC(O)C1CCCC1 DY757207 [0,0,0,1,0,0|1,0,1]=3 149 B8R1.7 N=C(N)C1CCCC1 DY585765 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.7 N=C(N)N1CCCC1 DY717135 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.7 NC(=O)C1CC=CC1 NO11184 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.7 NC(=O)C1CCCC1 DY794313 [0,0,0,1,0,0|1,0,0]=2 153 B8R1.7 NC(=O)C1CCNC1 DY555753 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.7 NC(=O)C1CCNC1 DY565263 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.7 NC(=O)N1CCCC1 DY717045 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.7 O=C(O)C1=NCCC1 DY584439 [0,0,0,1,0,0|1,0,1]=3 159 B8R1.7 O=C(O)C1C=CCN1 DY436935 [0,0,0,1,0,0|1,0,2]=4 160 B8R1.7 O=C(O)C1C=CCO1 DY788385 [0,0,0,1,0,0|1,0,2]=4 161 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,0,0,1,0,0|1,0,0]=2 162 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,0,0,1,0,0|1,0,0]=2 165 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,0,0,1,0,0|1,0,0]=2 166 B8R1.7 O=C(O)C1CCSS1 DY566085 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.7 O=C(O)C1NCCS1 NO16514 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,0,0,1,0,0|1,0,0]=2 169 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.18 CC1=CC(Br)OC1=O DY557997 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.18 C[C@H]1NC(=O)OC1=O NO17248 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.18 O=C1CC(Br)C(=O)O1 DY822751 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [0,0,0,1,0,0|0,0,0]=1 179 B8R1.23 CN1CC(C(=O)O)C1 DY444119 [0,0,0,1,0,0|1,0,0]=2 180 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [0,0,0,1,0,0|1,0,0]=2 182 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.23 O=C1CC(C(=O)O)C1 NO18894 [0,0,0,1,0,0|1,0,1]=3 187 B8R1.30 C=C1CC1(N)C(=O)O DY533541 [0,0,0,1,0,0|1,0,2]=4 188 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F DY102836 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,0,0,1,0,0|0,0,0]=1 190 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,0,0,1,0,0|0,0,0]=1 191 B8R1.54 N[C@@H](C(=O)O)C1CC1 DY556701 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.54 O=C(O)C(=O)C1CC1 NO15905 [0,0,0,1,0,0|1,0,1]=3 193 B8R1.54 O=C([O-])C(=O)C1CC1 DY121058 [0,0,0,1,0,0|1,0,2]=4 194 B8R1.78 CC1(C(=O)O)CCC1 DY21173 [0,0,0,1,0,0|0,0,0]=1 195 B8R1.78 NC1(C(=O)O)CCC1 NO20591 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.78 NC1(C(=O)O)COC1 DY585976 [0,0,0,1,0,0|2,0,0]=3 197 B8R0.5 COCC(C)OC(C)=O DY822378 [0,0,0,0,0,1|2,0,0]=3 198 B5R0.1 C=C(C)CCBr NO14513 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.1 CC#CC(=O)O DY20776 [2,0,0,0,0,0|0,0,2]=4 200 B5R0.1 CC(C)CCBr DY460632 [2,0,0,0,0,0|1,0,1]=4 201 B5R0.1 CC(N)CCO NO22096 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.1 CC(O)CON NO17735 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.1 CCCB(O)O NO14802 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.1 CCCC(=O)[O-] DY822775 [2,0,0,0,0,0|0,0,1]=3 205 B5R0.1 CCCC(C)=O NO21731 [2,0,0,0,0,0|0,0,1]=3 206 B5R0.1 CCCC(C)O DY741013 [2,0,0,0,0,0|0,0,0]=2 207 B5R0.1 CCNC(C)=O DY564051 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.1 CNCC(=O)O NO18595 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.1 COCC(=O)O NO11579 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.1 COCC(C)O NO20741 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.1 COC[C@@H](C)O NO20249 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.1 COC[C@H](C)N DY623421 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.1 COC[C@H](C)O NO20309 [2,0,0,0,0,0|1,0,0]=3 214 B5R0.1 CSCC(=O)O DY543879 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.1 CSCC(N)=O NO12608 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.1 C[C@@H](N)CCO NO14355 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.1 C[C@H](N)CCO DY625189 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.1 C[C@H](N)CCO NO14356 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.1 C[C@H](O)CC#N DY625225 [2,0,0,0,0,0|1,0,1]=4 220 B5R0.1 C\C=C\C(=O)O DY41882 [2,0,0,0,0,0|0,0,2]=4 221 B5R0.1 C\C=C\[C@H](C)O DY791877 [2,0,0,0,0,0|0,0,2]=4 222 B5R0.1 NCCC(=O)O NO13499 [2,0,0,0,0,0|1,0,0]=3 223 B5R0.1 O=C(O)OCCl DY523719 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.2 C=CCCCBr DY460284 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.2 CCCCCBr NO20657 [2,0,0,0,0,0|1,0,1]=4 226 B5R0.2 CCCC[Mg]Cl DY567561 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.2 CNCCCO NO14200 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.2 COCCCO NO20039 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.2 CSCCCO DY557199 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.2 OCCCCF DY822291 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.3 CCC(N)CO DY20718 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.3 CCC(N)CO DY741331 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.3 CCC(O)CO DY822703 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.3 CC[C@@H](N)CO NO15119 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.3 CC[C@H](C)C#N DY822231 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.3 CC[C@H](N)CO DY10528 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.3 CC[C@H](O)CO NO15622 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.3 CO[C@H](C)CO NO12306 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.5 C=C(C)C(=O)O DY740707 [2,0,0,0,0,0|0,0,2]=4 240 B5R0.5 CC(=O)C(C)C DY740329 [2,0,0,0,0,0|1,0,0]=3 241 B5R0.5 CC(=O)C(C)Cl DY740749 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.5 CC(C)B(O)O DY454222 [2,0,0,0,0,0|1,0,1]=4 243 B5R0.5 CC(C)C(N)=O NO21696 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.5 CC(O)C(N)=O DY538347 [2,0,0,0,0,0|2,0,0]=4 245 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [2,0,0,0,0,0|1,0,0]=3 246 B5R0.5 C[C@@H](N)C(N)=O NO15732 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [2,0,0,0,0,0|1,0,1]=4 248 B5R0.5 C[C@H](Br)C(=O)O DY20444 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.5 C[C@H](N)C(=O)O NO19143 [2,0,0,0,0,0|1,0,0]=3 251 B5R0.5 C[C@H](N)C(=O)S DY572427 [2,0,0,0,0,0|1,1,0]=4 252 B5R0.5 C[C@H](N)C(N)=O NO22529 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.5 C[C@H](O)C(N)=O DY624997 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.5 O=C(O)C(Cl)Cl DY740833 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [2,0,0,0,0,0|1,0,0]=3 256 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [1,1,0,0,0,0|1,0,1]=4 257 B7R0.2 CC(C)C[C@H](N)CO NO19307 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.3 CCCCC(O)CO DY567525 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.3 CCCOC(C)CN DY605531 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.10 O=C[C@H](O)[C@H](O)CO DY561741 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.13 CC(C)(CN)C(=O)O DY535611 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.13 CC(C)(CN)C(N)=O NO22038 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.13 CC(C)(CO)C(=O)O NO19743 [1,1,0,0,0,0|1,0,0]=3 265 B7R0.13 CC(N)(CO)C(=O)O DY559497 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.13 CCC(C)(C)C(C)=O DY792897 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.13 CCC(C)(N)C(=O)O DY628689 [1,1,0,0,0,0|0,0,0]=2 268 B7R0.13 C[C@](O)(CBr)C(=O)O NO14051 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.15 CCC(CC)C(=O)[O-] DY21097 [1,1,0,0,0,0|0,0,1]=3 270 B7R0.15 CCN(CC)C(=O)Cl DY743005 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [1,1,0,0,0,0|0,0,0]=2 272 B7R0.15 COC(OC)C(C)=O DY20526 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.16 CC(=O)C(C)C(C)=O DY572943 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O DY438202 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [1,1,0,0,0,0|1,0,0]=3 283 B7R0.4 C#CCCCC(=O)O NO14686 [1,1,0,0,0,0|0,0,1]=3 284 B7R0.4 CC(=O)CCCCBr NO10627 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.4 CCCCCB(O)O NO22305 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.4 CCCCCC(=O)Cl DY822275 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.4 CCCCCC(C)O NO21570 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.4 CCCOCC(=O)O DY425744 [1,1,0,0,0,0|0,0,0]=2 289 B7R0.4 CCCSCC(N)=O DY742801 [1,1,0,0,0,0|1,0,0]=3 290 B7R0.4 CCO\C=C\C(=O)O NO22271 [1,1,0,0,0,0|0,0,2]=4 291 B7R0.4 CNCCCC(=O)O DY702793 [1,1,0,0,0,0|0,0,0]=2 292 B7R0.4 N#CCSCC(=O)O DY796389 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.4 O=C(Cl)CCCCCl DY460464 [1,1,0,0,0,0|1,0,0]=3 294 B7R0.4 [N-]=[N+]=NCCC(=O)O DY457240 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.6 C=C(C)CCC(=O)O NO16527 [1,1,0,0,0,0|0,0,1]=3 296 B7R0.6 CC(=O)CCC(=O)O NO18688 [1,1,0,0,0,0|0,0,1]=3 297 B7R0.6 CC(=O)NCC(=O)O NO19131 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.6 CC(=O)SCC(=O)O DY447723 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.6 CC(C)CCC(=N)N DY611066 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.6 CN(C)CCC(=O)O NO12169 [1,1,0,0,0,0|1,0,0]=3 301 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.8 CCCOS(=O)(=O)O DY798855 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.8 NCCCP(=O)(O)O NO22520 [1,1,0,0,0,0|2,0,0]=4 304 B9R0.4 CSCC[C@H](N)CC(=O)O DY570603 [0,1,0,0,0,1|1,0,0]=3 305 B9R0.4 NCCCC(N)CC(=O)O DY583857 [0,1,0,0,0,1|1,0,0]=3 306 B9R0.53 CC(C)CC(N)CC(=O)O NO19014 [0,1,0,0,0,1|1,0,0]=3 307 B9R0.53 CC(C)C[C@@H](N)CC(=O)O DY701461 [0,1,0,0,0,1|1,0,0]=3 308 B9R0.53 CC(C)C[C@H](N)CC(=O)O DY439109 [0,1,0,0,0,1|1,0,0]=3 309 B9R0.58 CCCC(C)(O)CC(=O)O DY562053 [0,1,0,0,0,1|0,0,0]=2 310 B9R0.27 COC(=O)C(C)C(=O)OC NO11258 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO DY556491 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.28 COC(=O)C(C)(C)C(=O)O NO20983 [0,2,0,0,0,0|1,0,1]=4 313 B9R0.41 CCC(CC)C(N)C(=O)O DY523539 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.41 CCC(CC)[C@@H](N)C(=O)O DY628065 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.41 CCN(CC)C(C)C(=O)O DY585459 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.79 CC(C(=O)O)C(N)C(=O)O DY20536 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.35 CCCC(=O)C(O)CCC DY556689 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DY428251 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.7 CC(C)CC[C@H](N)C(=O)O NO10576 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.7 CC(C)COC(C)C(=O)O DY585447 [0,2,0,0,0,0|0,0,0]=2 322 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O DY539841 [0,2,0,0,0,0|1,0,0]=3 323 B9R0.7 NC(CCC(=O)O)C(=O)O NO15295 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY437662 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY822470 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.13 CCCCC(CC)C(=O)[O-] DY740359 [0,2,0,0,0,0|0,0,1]=3 327 B9R0.13 CCCCC(CC)C(=O)[O-] DY822436 [0,2,0,0,0,0|0,0,1]=3 328 B9R0.13 CCCCC(CC)C(=O)[O-] DY822437 [0,2,0,0,0,0|0,0,1]=3 329 B9R0.13 CCCC[C@@H](CO)C(=O)O DY797973 [0,2,0,0,0,0|0,0,0]=2 330 B9R0.42 CC(NC(=O)CCl)C(=O)O DY628599 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.42 CCC(C)NC(=O)C(=O)O DY604587 [0,2,0,0,0,0|1,0,1]=4 332 B9R0.42 COC(=O)CC(C)C(C)=O DY584386 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.42 COC(=O)C[C@@H](N)C(=O)O NO22944 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.42 COC(=O)C[C@H](N)C(=O)O NO13817 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.47 C=CCCC[C@@H](N)C(=O)O DY628077 [0,2,0,0,0,0|1,0,0]=3 336 B9R0.47 CCCCCC(C)C(=O)O DY509948 [0,2,0,0,0,0|0,0,0]=2 337 B9R0.47 CCCCCC(N)C(=O)O DY506843 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.47 CCSCC[C@@H](N)C(=O)O DY558999 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.47 NCCCCC(N)C(=O)O NO18635 [0,2,0,0,0,0|1,0,0]=3 340 B9R0.47 NCCCCC(N)C(=O)O NO19277 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.47 NCCCC[C@@H](N)C(=O)O DY503163 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.47 NCCCC[C@@H](N)C(=O)O NO18638 [0,2,0,0,0,0|1,0,0]=3 343 B9R0.47 NCCCC[C@H](N)C(=O)O DY20432 [0,2,0,0,0,0|1,0,0]=3 344 B9R0.47 NCCCC[C@H](N)C(=O)O NO14946 [0,2,0,0,0,0|1,0,0]=3 345 B9R0.47 NCCCC[C@H](N)C(=O)O NO19147 [0,2,0,0,0,0|1,0,0]=3 346 B9R0.47 NCCOC[C@H](N)C(=O)O DY584403 [0,2,0,0,0,0|1,0,0]=3 347 B9R0.47 N[C@@H](CCCNO)C(=O)O DY551895 [0,2,0,0,0,0|1,0,0]=3 348 B9R0.11 CC(=O)NC(C)(C)C(=O)O DY607587 [0,2,0,0,0,0|1,0,1]=4 349 B9R0.11 CC(C)(CC(=O)O)C(=O)O NO19959 [0,2,0,0,0,0|1,0,1]=4 350 B9R0.15 C=CCC(CCC)C(=O)O DY527859 [0,2,0,0,0,0|0,0,0]=2 351 B9R0.33 CCCC(C(=O)O)C(=O)O NO11891 [0,2,0,0,0,0|0,0,1]=3 352 B9R0.39 CC(=O)N[C@H](CS)C(=O)O NO19200 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O DY437899 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.39 CN[C@@H](CC(C)C)C(=O)O DY437917 [0,2,0,0,0,0|0,0,0]=2 355 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O DY701695 [0,2,0,0,0,0|1,0,0]=3 356 B7R1.1 BrCC1CCCC1 DY20145 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.1 C#CC1CCCC1 DY822738 [1,0,0,1,0,0|1,0,1]=4 358 B7R1.1 CNC1CCCC1 DY757231 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.1 COC1CCCC1 DY459258 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.1 NCC1CCCC1 NO14873 [1,0,0,1,0,0|1,0,1]=4 361 B7R1.1 NNC1CCCC1 DY543699 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.1 O=CC1=CCCC1 NO12865 [1,0,0,1,0,0|0,0,2]=4 363 B7R1.1 O=CC1CCCC1 DY21048 [1,0,0,1,0,0|0,0,0]=2 364 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.1 OCC1CCCC1 NO11185 [1,0,0,1,0,0|0,0,1]=3 366 B7R1.1 OCC1CCCN1 DY556821 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.1 OCC1CCCN1 DY668415 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.1 OCC1CCCO1 DY20392 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.1 OCC1CCNC1 NO11284 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.1 OCC1CCNC1 NO16764 [1,0,0,1,0,0|1,0,1]=4 371 B7R1.1 OCC1CCNC1 NO18341 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.1 OC[C@@H]1CCCN1 NO22640 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.1 OC[C@@H]1CCNC1 DY115660 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.1 OC[C@H]1CCCN1 NO17003 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.1 OC[C@H]1CCCO1 DY542355 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.3 CC1C=CCCO1 DY560079 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.3 CC1CCCCN1 DY20418 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.3 CC1COCCN1 NO22371 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.3 C[C@@H]1CCCNC1 NO16133 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.3 C[C@@H]1COCCN1 NO14856 [1,0,0,1,0,0|1,0,1]=4 381 B7R1.3 C[C@@H]1COCCN1 NO20285 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.3 C[C@H]1COCCN1 DY20820 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.3 C[C@H]1COCCN1 NO22413 [1,0,0,1,0,0|1,0,1]=4 384 B7R1.3 ClC1CCCOC1 DY586426 [1,0,0,1,0,0|1,0,1]=4 385 B7R1.3 NC1C=CCCC1 DY608404 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.3 N[C@@H]1CCCOC1 DY517515 [1,0,0,1,0,0|1,0,1]=4 387 B7R1.3 OC1CCCOC1 NO17782 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.4 CC1CCCC1O DY757267 [1,0,0,1,0,0|0,0,1]=3 389 B7R1.4 CC1CCOC1=O DY759320 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.4 CC1OCCC1=O NO14135 [1,0,0,1,0,0|1,0,0]=3 391 B7R1.4 C[C@@H]1CCNC1=O DY546075 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.4 C[C@H]1CCNC1=O DY560337 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.4 NC1CCCC1O NO19404 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [1,0,0,1,0,0|1,0,1]=4 395 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [1,0,0,1,0,0|1,0,1]=4 396 B7R1.4 N[C@@H]1CCOC1=O NO18578 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [1,0,0,1,0,0|1,0,1]=4 398 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.4 N[C@H]1CCOC1=O DY541269 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.4 O=C1CCCC1Cl DY567621 [1,0,0,1,0,0|1,0,0]=3 401 B7R1.4 O=C1NCCC1O DY444274 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.4 O=C1NCC[C@@H]1O NO19486 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.4 O=C1NCC[C@H]1O DY115910 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.5 C=C1CC1CCO DY790953 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.9 NCC1CC1CO DY528789 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.25 CC1(CO)COC1 NO16968 [1,0,0,1,0,0|1,0,1]=4 411 B7R1.12 C[C@H]1C[C@H]1B(O)O DY705817 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [1,0,0,1,0,0|1,0,0]=3 413 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [1,0,0,1,0,0|1,0,0]=3 414 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.18 CC(O)C1CCC1 NO20672 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.18 NC(=O)C1CNC1 DY10515 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.18 NC(=O)C1CNC1 DY10516 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.18 O=C(O)C1CCC1 NO22786 [1,0,0,1,0,0|0,0,0]=2 419 B7R1.18 O=C(O)C1CCN1 NO18844 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.18 O=C(O)C1CNC1 NO16485 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.18 O=C(O)C1COC1 NO22389 [1,0,0,1,0,0|1,0,0]=3 422 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [1,0,0,1,0,0|1,0,0]=3 423 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.18 OB(O)C1CCC1 NO12533 [1,0,0,1,0,0|1,0,1]=4 426 B7R1.19 CC1(B(O)O)CC1 DY758515 [1,0,0,1,0,0|1,0,1]=4 427 B7R1.19 NC1(C(=O)O)CC1 DY567315 [1,0,0,1,0,0|1,0,0]=3 428 B7R1.19 NC1(C(=O)O)CC1 NO16477 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.19 O=C(O)C1(Br)CC1 NO15760 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.19 O=C(O)C1(F)CC1 NO13809 [1,0,0,1,0,0|1,0,0]=3 431 B7R1.7 CCCC[C@H]1CO1 DY822259 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.14 CC1(O)CCCC1 NO20768 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [1,0,0,1,0,0|1,0,0]=3 434 B9R1.7 CCC[C@H]1COC(=O)C1 DY426027 [0,0,0,1,0,1|0,0,0]=2 435 B9R1.7 NCCC1CCC(=O)N1 DY667478 [0,0,0,1,0,1|2,0,0]=4 436 B9R1.13 CC(=O)NC1CCCC1 DY544479 [0,0,0,1,0,1|1,0,0]=3 437 B9R1.13 CC(=O)N[C@@H]1CCNC1 DY517617 [0,0,0,1,0,1|2,0,0]=4 438 B9R1.13 N=C(N)NC1CCCC1 DY585755 [0,0,0,1,0,1|2,0,0]=4 439 B9R1.13 NC(=O)CC1CCCN1 DY586075 [0,0,0,1,0,1|2,0,0]=4 440 B9R1.13 O=C(Cl)OC1CCCC1 NO11187 [0,0,0,1,0,1|1,0,0]=3 441 B9R1.13 O=C(O)CC1CCOC1 NO20367 [0,0,0,1,0,1|1,0,0]=3 442 B9R1.22 O=C1C[C@@H](O)[C@@H](CBr)O1 DY742837 [0,0,0,1,0,1|2,0,0]=4 443 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 DY549897 [0,0,0,1,0,1|2,0,0]=4 444 B9R1.34 CC1CC(=O)CC(C)O1 DY425912 [0,0,0,1,0,1|2,0,0]=4 445 B9R1.34 C[C@H]1C[C@H](O)CC(=O)N1 DY586077 [0,0,0,1,0,1|2,0,0]=4 446 B9R1.41 CN1CCC[C@H]1C(=O)O NO11794 [0,0,0,1,0,1|1,0,0]=3 447 B9R1.41 NC1=C(C(=O)O)CCC1 DY571317 [0,0,0,1,0,1|1,0,1]=4 448 B9R1.41 NC1CCCC1C(=O)O DY585767 [0,0,0,1,0,1|1,0,0]=3 449 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O DY550977 [0,0,0,1,0,1|1,0,0]=3 450 B9R1.41 O=C(O)C1COCC1F DY584206 [0,0,0,1,0,1|2,0,0]=4 451 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O DY585907 [0,0,0,1,0,1|2,0,0]=4 452 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F DY586005 [0,0,0,1,0,1|2,0,0]=4 453 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F DY545055 [0,0,0,1,0,1|2,0,0]=4 454 B9R1.48 NC1CCCNC(=O)C1 DY743197 [0,0,0,1,0,1|2,0,0]=4 455 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 DY103481 [0,0,0,1,0,1|1,0,0]=3 456 B9R1.59 COC[C@H]1C[C@@H]1C(=O)O DY586272 [0,0,0,1,0,1|1,0,0]=3 457 B9R1.171 CC1(CC(=O)O)COC1 DY580893 [0,0,0,1,0,1|1,0,0]=3 458 B9R1.171 NC1(CC(=O)O)COC1 DY520395 [0,0,0,1,0,1|2,0,0]=4 459 B9R1.3 CC1C(=O)CCCC1=O NO10132 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.3 CC1NCCN(C)C1=O DY512001 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.3 CN1CCC[C@@H](O)C1=O DY586206 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.37 CC1CC(C)C(=O)C1=O DY822610 [0,1,0,1,0,0|0,0,1]=3 463 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O DY528279 [0,1,0,1,0,0|0,0,2]=4 464 B9R1.101 COC(=O)[C@H](N)C1CC1 DY520899 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.110 CC(=O)N(C)C1CNC1 DY586653 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.110 CC(C(=O)O)C1CCC1 DY586363 [0,1,0,1,0,0|0,0,0]=2 467 B9R1.110 CC(C(=O)O)N1CCC1 DY607944 [0,1,0,1,0,0|0,0,0]=2 468 B9R1.110 N[C@H](C(=O)O)C1CCC1 DY444508 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.5 NC1CCCCNC1=O NO15569 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.5 NC1CCCCNC1=O NO15816 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.5 N[C@H]1CCCCNC1=O DY545019 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.5 O=C1NCCCCC1Br DY550035 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.11 COC(=O)C1=CCCC1 NO18911 [0,1,0,1,0,0|0,0,2]=4 474 B9R1.11 COC(=O)C1CCCN1 NO11440 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.11 COC(=O)[C@@H]1CSCN1 DY565929 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.11 COC(=O)[C@H]1CCNC1 DY103933 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.11 O=C(CBr)C1CCCO1 DY585542 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.11 O=C(CCl)C1CCCC1 DY822737 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.15 CCC1CNCCC1=O NO17950 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.15 CCC1NCCCC1=O DY636158 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.15 COC1CCCCC1=O DY822546 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.15 COC1CCCNC1=O NO12712 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.15 CO[C@H]1CCCC[C@@H]1O DY620334 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.15 C[C@H]1CCCCN1N=O DY794955 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.15 N#CC1CCCCC1=O DY33325 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.15 O=C1CCCCC1CO DY587110 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.33 O=C1OCCN1CCCl DY774075 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.69 CC1CNC(=O)C(C)C1 DY636400 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.69 CN1CC(N)CCC1=O DY603454 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 DY515061 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.69 C[C@H]1CN[C@H](C)[C@@H](C)O1 DY536103 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.82 COC(=O)C1CC(N)C1 NO15952 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.82 COC(=O)[C@H]1C[C@H](C)O1 DY585926 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO DY573705 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.186 COC(=O)C1(C)CCC1 DY570435 [0,1,0,1,0,0|0,0,0]=2 498 B9R1.186 COC(=O)C1(N)CCC1 NO11175 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.186 COC(=O)C1(O)CNC1 DY582309 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.6 CC(=O)C1C=CCCC1 DY430670 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.6 CC(=O)C1CCCCN1 DY504771 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.6 CC(=O)C1CCOCC1 NO13055 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.6 CC(=O)N1CCNCC1 NO18512 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.6 CC(=O)N1CCOCC1 DY530841 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.6 CC(=O)[C@@H]1CCCOC1 DY585693 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.6 CC(=O)[C@H]1CCCOC1 DY585692 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.6 CC(O)C1CCCOC1 DY585691 [0,1,0,1,0,0|1,0,1]=4 508 B9R1.6 C[C@H](O)C1CCCCC1 DY547839 [0,1,0,1,0,0|1,0,1]=4 509 B9R1.6 N=C(N)C1CCNCC1 DY775270 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.6 N=C(N)C1CCOCC1 DY554379 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.6 NC(=O)C1CCCNC1 NO18298 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.6 NC(=O)C1CCCOC1 DY777466 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.6 NC(=O)N1CCOCC1 DY732133 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.6 NC(=O)[C@@H]1CNCCN1 DY626185 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.6 O=C(O)C1=CCCCC1 DY564789 [0,1,0,1,0,0|0,0,1]=3 516 B9R1.6 O=C(O)C1=CCNCC1 DY567225 [0,1,0,1,0,0|0,0,2]=4 517 B9R1.6 O=C(O)C1=COCCC1 DY553647 [0,1,0,1,0,0|0,0,2]=4 518 B9R1.6 O=C(O)C1CC=CCC1 DY20590 [0,1,0,1,0,0|0,0,1]=3 519 B9R1.6 O=C(O)C1CCCCN1 NO18433 [0,1,0,1,0,0|0,0,0]=2 520 B9R1.6 O=C(O)C1CCCNC1 NO22806 [0,1,0,1,0,0|0,0,0]=2 521 B9R1.6 O=C(O)C1CCCOC1 NO18526 [0,1,0,1,0,0|0,0,0]=2 522 B9R1.6 O=C(O)C1CCNCC1 NO15208 [0,1,0,1,0,0|0,0,0]=2 523 B9R1.6 O=C(O)C1CCNCC1 NO22807 [0,1,0,1,0,0|0,0,0]=2 524 B9R1.6 O=C(O)C1CCOCC1 NO18392 [0,1,0,1,0,0|0,0,0]=2 525 B9R1.6 O=C(O)C1CCSCC1 DY578325 [0,1,0,1,0,0|0,0,0]=2 526 B9R1.6 O=C(O)C1CNCCN1 NO16953 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.6 O=C(O)C1CNCCN1 NO22631 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.6 O=C(O)C1CNCCO1 NO21703 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.6 O=C(O)C1CNCCS1 DY738698 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.6 O=C(O)C1CNCCS1 DY789387 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.6 O=C(O)C1CSCCN1 NO19640 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.6 O=C(O)N1CCNCC1 DY503859 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.6 O=C(O)[C@@H]1CC=CCC1 DY20996 [0,1,0,1,0,0|0,0,1]=3 534 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO13937 [0,1,0,1,0,0|0,0,0]=2 535 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO18418 [0,1,0,1,0,0|0,0,0]=2 536 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO12538 [0,1,0,1,0,0|0,0,0]=2 537 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO22802 [0,1,0,1,0,0|0,0,0]=2 538 B9R1.6 O=C(O)[C@@H]1CCCNN1 DY625837 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.6 O=C(O)[C@@H]1CNCCN1 NO17152 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.6 O=C(O)[C@@H]1COCCN1 NO16814 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.6 O=C(O)[C@@H]1COCCN1 NO17811 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.6 O=C(O)[C@@H]1CSCCN1 DY565755 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.6 O=C(O)[C@H]1CC=CCC1 DY461064 [0,1,0,1,0,0|0,0,1]=3 544 B9R1.6 O=C(O)[C@H]1CCCCN1 NO18416 [0,1,0,1,0,0|0,0,0]=2 545 B9R1.6 O=[N+]([O-])C1CCCCC1 DY507047 [0,1,0,1,0,0|1,0,1]=4 546 B9R1.6 OB(O)C1CCCCC1 NO18573 [0,1,0,1,0,0|1,0,1]=4 547 B9R1.23 CC1N=C(CN)OC1=O DY774165 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.23 CN1CC(CN)CC1=O DY580887 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.23 CN1C[C@H](CN)OC1=O DY774135 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.23 CNC1CC(=O)N(C)C1 DY524481 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.35 CC(=O)N1CCC(N)C1 DY665434 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,1,0,1,0,0|0,0,0]=2 553 B9R1.35 CN1CCC(C(=O)O)C1 DY444131 [0,1,0,1,0,0|0,0,0]=2 554 B9R1.35 CN1CCC(C(=O)O)C1 NO18297 [0,1,0,1,0,0|0,0,0]=2 555 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,1,0,1,0,0|0,0,0]=2 556 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,1,0,1,0,0|0,0,0]=2 557 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,1,0,1,0,0|0,0,0]=2 558 B9R1.35 NC(=O)N1CCC(N)C1 DY585747 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 DY718227 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.35 NC1CCC(C(=O)O)C1 NO16161 [0,1,0,1,0,0|0,0,0]=2 561 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 DY529041 [0,1,0,1,0,0|0,0,0]=2 562 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 DY628863 [0,1,0,1,0,0|0,0,0]=2 563 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 NO14934 [0,1,0,1,0,0|0,0,0]=2 564 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 DY627831 [0,1,0,1,0,0|0,0,2]=4 565 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 NO17903 [0,1,0,1,0,0|0,0,0]=2 566 B9R1.35 O=C(O)[C@@H]1C[C@@H](I)CN1 DY515055 [0,1,0,1,0,0|1,0,0]=3 567 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 NO18304 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,1,0,1,0,0|0,0,0]=2 569 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 DY526479 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO19994 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO22793 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 NO12039 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [0,1,0,1,0,0|0,0,1]=3 574 B9R1.35 O=C1CCC(C(=O)O)N1 DY525489 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,1,0,1,0,0|1,0,1]=4 576 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 DY438135 [0,1,0,1,0,0|1,0,1]=4 577 B9R1.35 O=C1CC[C@H](C(=O)O)N1 NO22212 [0,1,0,1,0,0|1,0,1]=4 578 B9R1.35 O=C1CNC(C(=O)O)C1 DY583413 [0,1,0,1,0,0|1,0,1]=4 579 B9R1.35 O=C1C[C@H](C(=O)O)CN1 DY547731 [0,1,0,1,0,0|1,0,1]=4 580 B9R1.40 CC1(C)COCCC1=O NO16380 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.40 CC1(C)OCCCC1=O DY510452 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.40 CC1CNCCC1(C)O DY636388 [0,1,0,1,0,0|1,0,1]=4 583 B9R1.40 C[C@H]1CCNC[C@]1(C)O DY643568 [0,1,0,1,0,0|1,0,1]=4 584 B9R1.40 O=C1NCCCC1(Br)Br NO18534 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.95 CC(=O)N1CC(CN)C1 DY585813 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.95 CNC1CN(C(C)=O)C1 DY585700 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.95 CNC1CN(C(C)=O)C1 DY585701 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.95 COC1CC(C(=O)O)C1 DY556227 [0,1,0,1,0,0|0,0,0]=2 589 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 DY532413 [0,1,0,1,0,0|0,0,0]=2 590 B9R1.95 O=C(O)C1CC(CO)C1 DY103733 [0,1,0,1,0,0|0,0,0]=2 591 B9R1.112 C[C@H](CC1CC1)C(=O)O DY586262 [0,1,0,1,0,0|0,0,0]=2 592 B9R1.112 NC(CC1CC1)C(=O)O DY628713 [0,1,0,1,0,0|1,0,0]=3 593 B9R1.112 N[C@H](CC1CC1)C(=O)O NO18682 [0,1,0,1,0,0|1,0,0]=3 594 B9R1.163 C[C@@]1(C(=O)O)CCCN1 DY10549 [0,1,0,1,0,0|0,0,0]=2 595 B9R1.163 C[C@]1(C(=O)O)CCCO1 DY563493 [0,1,0,1,0,0|0,0,0]=2 596 B9R1.163 NC(=O)C1(N)CCCC1 NO18509 [0,1,0,1,0,0|1,0,0]=3 597 B9R1.163 NC1(C(=O)O)CCCC1 NO18420 [0,1,0,1,0,0|0,0,0]=2 598 B9R1.163 NC1(C(=O)O)CCOC1 DY20730 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.163 N[C@]1(C(=O)O)CCNC1 DY566973 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.163 O=C(O)C1(O)CCCC1 NO20733 [0,1,0,1,0,0|0,0,0]=2 601 B9R1.152 CC1(C(=O)O)CC(=O)C1 DY546381 [0,1,0,1,0,0|0,0,1]=3 602 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 DY104156 [0,1,0,1,0,0|1,0,0]=3 603 B9R1.165 C[C@](N)(C(=O)O)C1CC1 DY606369 [0,1,0,1,0,0|0,0,0]=2 604 B9R1.179 O=C(O)C1(CCCl)CC1 DY534507 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.119 CCC1(C(=O)O)CCC1 DY756367 [0,1,0,1,0,0|0,0,0]=2 606 B9R1.119 CNC1(C(=O)O)CSC1 DY703765 [0,1,0,1,0,0|1,0,0]=3 607 B9R1.119 O=C(O)C1(CF)COC1 DY732949 [0,1,0,1,0,0|1,0,0]=3 608 B9R1.36 CC1(C)CC(N)C(=O)O1 DY585320 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O DY586271 [0,1,0,1,0,0|0,0,0]=2 610 B9R1.164 CC1(O)CC(C(=O)O)C1 NO16009 [0,1,0,1,0,0|0,0,0]=2 611 B9R1.164 O=C(O)C1CC(F)(F)C1 NO21901 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.169 CC1(C(=O)O)CC1(Cl)Cl DY757735 [0,1,0,1,0,0|1,0,0]=3 613 B9R1.169 NC1(C(=O)O)CC1(F)F DY569481 [0,1,0,1,0,0|2,0,0]=4 614 B9R2.39 O=C1CC2CC1CO2 DY506766 [0,0,0,2,0,0|2,0,0]=4 615 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 DY620394 [0,0,0,2,0,0|1,0,0]=3 616 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 DY556761 [0,0,0,2,0,0|1,0,1]=4 617 B9R2.25 O=C1OC(=O)C2CC12 NO22387 [0,0,0,2,0,0|1,0,1]=4