0 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.4 CC1CCCC(N)C1 AC050625 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.4 CC1CNCC(C)N1 AC500169 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 CN1CCC=C(Br)C1 AC160405 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.4 CN1CCCC(=O)C1 AC182125 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.4 CN1CCCC(N)C1 AC190086 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.4 CN1CCNC(=O)C1 AC182677 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.4 CN1CCOC(=O)C1 AC170002 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 NC1CCCC(O)C1 AC310112 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.4 O=C1CCCC(=O)C1 AC510798 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.4 O=C1CNCC(=O)N1 AC182622 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.4 OC1CCNC(=O)C1 AC182440 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 BrC1CCNCC1 AC511729 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.3 BrC1CCOCC1 AC182117 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.3 C1CSCCC1O LN00163913 [1,0,0,0,0,0|1,0,2]=4 16 B7R1.3 C=C1CCNCC1 AC050993 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 C=C1CCNCC1 AC220141 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 C=C1CCOCC1 AC220043 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.3 CC1=CCCCC1 AC220166 [1,0,0,0,0,0|1,0,1]=3 20 B7R1.3 CC1=CCNCC1 AC250025 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.3 CC1=CCOCC1 AC220042 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.3 CC1CNCCO1 AC182283 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 CC1CNCCO1 LN00002207 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 CC1COCCN1 LN00001061 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 C[C@@H]1COCCN1 AC182578 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 C[C@H]1CNCCO1 LN00221210 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 C[C@H]1COCCN1 AC020353 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 C[C@H]1COCCN1 LN00009351 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 ClC1CCOCC1 AC220190 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 FC1CCCNC1 AC160531 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 IC1CCOCC1 AC220044 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.3 NC1CCCNC1 AC180284 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 NC1CCNCC1 AC220142 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 NC1CCOCC1 AC180691 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.3 NC1CCOCC1 AC220011 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 NC1CCSCC1 AC040153 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 NN1CCCCC1 AC160501 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 NN1CCCCC1 AC510696 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 NN1CCOCC1 AC130024 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.3 N[C@@H]1CCCNC1 AC020138 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 O=C1CCCOC1 AC220056 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 O=C1CCOCC1 AC180169 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 O=C1CCSCC1 AC180170 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.3 O=C1CNCCN1 AC181220 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 O=C1COCCN1 AC130162 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 OC1CCCNC1 AC180283 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 OC1CCCOC1 AC220041 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.3 OC1CCNCC1 AC180401 [1,0,0,0,0,0|1,0,2]=4 50 B7R1.3 OC1CCNCC1 AC220140 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.3 OC1CCOCC1 AC220010 [1,0,0,0,0,0|1,0,2]=4 52 B7R1.3 OC1CCSCC1 AC010334 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.3 O[C@@H]1CCCNC1 AC511587 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 O[C@H]1CCCNC1 AC181658 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.66 CC1(C)CC(=O)CCO1 AC050266 [0,1,0,0,0,0|1,0,0]=2 58 B9R1.66 CC1(C)CC(N)CCO1 AC050485 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.69 CC1CN(C)CCC1=O AC021166 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.69 C[C@@H]1NC(=O)CNC1=O AC020921 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [0,0,1,0,0,0|1,0,0]=2 62 B7R0.4 CCCCCC(C)N HY-B0952 [0,0,1,0,0,0|1,0,1]=3 63 B7R0.4 COCCCC(O)=O AC100091 [0,0,1,0,0,0|2,0,0]=3 64 B7R0.7 CCCC(O)COC AC010185 [0,0,1,0,0,0|1,0,2]=4 65 B7R0.7 CCOC(=O)CCBr AC510407 [0,0,1,0,0,0|2,0,0]=3 66 B7R0.7 CCOC(=O)CCI AC180478 [0,0,1,0,0,0|2,0,0]=3 67 B7R0.7 CCOC(=O)CNN AC180293 [0,0,1,0,0,0|3,0,0]=4 68 B7R0.7 COCC(=O)COC AC512018 [0,0,1,0,0,0|2,0,0]=3 69 B7R0.7 ClCCC(=O)CCCl AC270026 [0,0,1,0,0,0|2,0,0]=3 70 B9R2.25 O=C1OC(=O)C2CC12 AC180715 [0,0,0,1,0,0|2,0,1]=4 71 B9R2.39 C1[C@H]2CN[C@@H]1C[C@@H]2F LN00245231 [0,0,0,1,0,0|2,0,1]=4 72 B9R2.39 O=C1N[C@H]2CC1C=C2 AC160185 [0,0,0,1,0,0|1,0,2]=4 73 B7R1.2 C1[C@H](COC1=O)N LN00239300 [0,0,0,0,1,0|2,0,0]=3 74 B7R1.2 CN1CCC(C1)O LN00004977 [0,0,0,0,1,0|1,0,2]=4 75 B7R1.2 CN1CCC(N)C1 AC182540 [0,0,0,0,1,0|2,0,1]=4 76 B7R1.2 CN1CCC(O)C1 AC021691 [0,0,0,0,1,0|1,0,2]=4 77 B7R1.2 CN1CC[C@H](C1)O LN00170776 [0,0,0,0,1,0|1,0,2]=4 78 B7R1.2 CN1CC[C@H](O)C1 AC181714 [0,0,0,0,1,0|1,0,2]=4 79 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [0,0,0,0,1,0|2,0,0]=3 80 B7R1.2 O=C1CCC(=O)C1 AC170075 [0,0,0,0,1,0|1,0,1]=3 81 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,0,0,0,1,0|2,0,0]=3 82 B7R1.4 BrC1CCOC1=O AC130063 [0,0,0,0,1,0|2,0,0]=3 83 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [0,0,0,0,1,0|1,0,2]=4 84 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [0,0,0,0,1,0|0,0,2]=3 85 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [0,0,0,0,1,0|0,0,2]=3 86 B7R1.4 C[C@H]1CNC[C@@H]1O LN00004480 [0,0,0,0,1,0|1,0,2]=4 87 B7R1.4 C[C@H]1CNC[C@H]1O LN00001611 [0,0,0,0,1,0|1,0,2]=4 88 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [0,0,0,0,1,0|1,0,2]=4 89 B7R1.4 NN1CCCC1=O AC050447 [0,0,0,0,1,0|2,0,0]=3 90 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [0,0,0,0,1,0|1,0,2]=4 91 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,0,0,0,1,0|2,0,0]=3 92 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,0,1,0|3,0,0]=4 93 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [0,0,0,0,1,0|1,0,2]=4 94 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [0,0,0,0,1,0|1,0,2]=4 95 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,0,0,0,1,0|2,0,0]=3 96 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,0,1,0|2,0,0]=3 97 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,0,1,0|3,0,0]=4 98 B7R1.4 O[C@H]1CCNC1=O AC182048 [0,0,0,0,1,0|2,0,0]=3 99 B9R1.48 O=C1CCCCC(=O)C1 AC181368 [0,0,0,0,0,1|1,0,1]=3 100 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,0,0,0,0,1|1,0,0]=2 101 B9R1.49 CN1CCNC(=O)CC1 AC182365 [0,0,0,0,0,1|2,0,0]=3 102 B6R0.1 CCC(C)CNC AC010501 [1,0,1,0,0,0|1,0,0]=3 103 B6R0.1 CCC(C)CNC AC010533 [1,0,1,0,0,0|1,0,0]=3 104 B6R0.1 CCCC(C)NC AC010486 [1,0,1,0,0,0|1,0,1]=4 105 B6R0.1 CCCC(C)NC AC010524 [1,0,1,0,0,0|1,0,1]=4 106 B6R0.1 CCC[C@H](N)CO AC020141 [1,0,1,0,0,0|1,0,1]=4 107 B6R0.1 CCOC(=O)CI AC131813 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.1 CCOC(=O)CO AC130521 [1,0,1,0,0,0|2,0,0]=4 109 B6R0.1 CCOC(=O)CS AC130132 [1,0,1,0,0,0|2,0,0]=4 110 B6R0.1 COC(=O)CCBr AC511067 [1,0,1,0,0,0|2,0,0]=4 111 B6R0.1 COC(=O)CCN AC510724 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,0,1,0,0,0|1,0,0]=3 113 B6R0.2 CN(C)CC(O)=O AC130146 [1,0,1,0,0,0|2,0,0]=4 114 B6R0.2 CN(C)CC(O)=O AC130178 [1,0,1,0,0,0|2,0,0]=4 115 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.2 C[C@H](N)CC(O)=O AC130275 [1,0,1,0,0,0|2,0,0]=4 117 B6R0.4 CC(=O)CCCCl AC511746 [1,0,1,0,0,0|1,0,0]=3 118 B6R0.4 CC(=O)OCCBr AC511000 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.4 CC(C)CCCO AC510897 [1,0,1,0,0,0|0,0,1]=3 120 B6R0.4 CC(C)OCCBr AC512105 [1,0,1,0,0,0|2,0,0]=4 121 B6R0.4 CCCOC(N)=O AC512151 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.4 CN(C)CCCBr AC182623 [1,0,1,0,0,0|2,0,0]=4 123 B6R0.4 CN(C)CCCCl AC500093 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.4 CN(C)CCCCl AC512046 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.4 CNCCC(C)C AC010487 [1,0,1,0,0,0|1,0,1]=4 126 B6R0.4 CNCCC(C)C AC010537 [1,0,1,0,0,0|1,0,1]=4 127 B6R0.4 COCCC(O)=O AC100057 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.4 CSCCC(O)=O HY-101401 [1,0,1,0,0,0|2,0,0]=4 129 B6R0.4 OC(=O)CCCBr AC511629 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.6 ClCCCCC=O AC511901 [1,0,1,0,0,0|1,0,0]=3 131 B6R0.6 OCCCCC=O AC511239 [1,0,1,0,0,0|1,0,0]=3 132 B6R1.1 C1CC=CCO1 AC220033 [2,0,0,0,0,0|1,0,1]=4 133 B6R1.1 C1CC=CCS1 AC010335 [2,0,0,0,0,0|1,0,1]=4 134 B6R1.1 C1CCNCC1 AC511092 [2,0,0,0,0,0|1,0,0]=3 135 B6R1.1 C1CCNNC1 LN00001482 [2,0,0,0,0,0|2,0,0]=4 136 B6R1.1 C1CCNNC1 LN00009925 [2,0,0,0,0,0|2,0,0]=4 137 B6R1.1 C1CCONC1 AC070036 [2,0,0,0,0,0|2,0,0]=4 138 B6R1.1 C1CCONC1 LN00001538 [2,0,0,0,0,0|2,0,0]=4 139 B6R1.1 C1CNCCN1 HY-B0912 [2,0,0,0,0,0|2,0,0]=4 140 B6R1.1 C1COC=CC1 AC220191 [2,0,0,0,0,0|1,0,1]=4 141 B6R1.1 C1CSCCN1 AC500065 [2,0,0,0,0,0|2,0,0]=4 142 B6R1.1 C1CSCSC1 AC130234 [2,0,0,0,0,0|2,0,0]=4 143 B8R0.2 CCC(C)C(N)C(O)=O AC510945 [0,1,1,0,0,0|1,0,0]=3 144 B8R0.2 CC[C@H](C)[C@@H](C(=N)O)N LN00239756 [0,1,1,0,0,0|1,0,1]=4 145 B8R0.5 CC(C)OC(=O)OCCl AC511675 [0,1,1,0,0,0|2,0,0]=4 146 B8R0.5 CCCC(C)CC(C)C AC220173 [0,1,1,0,0,0|1,0,1]=4 147 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [0,1,1,0,0,0|1,0,0]=3 148 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01359931 [0,1,1,0,0,0|2,0,0]=4 149 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01364924 [0,1,1,0,0,0|2,0,0]=4 150 B8R0.23 CC(C)[C@H](CC(=O)O)N LN00009939 [0,1,1,0,0,0|2,0,0]=4 151 B8R0.23 CC(C)[C@H](CC(=O)O)N LN01366567 [0,1,1,0,0,0|2,0,0]=4 152 B8R0.24 CC(C)(C)OC(=O)CBr AC130036 [0,1,1,0,0,0|2,0,0]=4 153 B8R0.24 CC(C)(C)OC(=O)CN AC510914 [0,1,1,0,0,0|2,0,0]=4 154 B8R0.24 CC(C)(C)OC(=O)CN AC511637 [0,1,1,0,0,0|2,0,0]=4 155 B8R0.24 CC(C)(C)OC(=O)CO AC181683 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.24 CNC(=O)OC(C)(C)C AC500222 [0,1,1,0,0,0|2,0,0]=4 157 B8R0.7 CC(=O)NCCCON AC010101 [0,1,1,0,0,0|2,0,0]=4 158 B8R0.7 CC(C)CCCCCBr AC250009 [0,1,1,0,0,0|1,0,1]=4 159 B8R0.7 CC(C)NCCCCO AC021626 [0,1,1,0,0,0|0,0,2]=4 160 B8R0.7 NCCCCCC(O)=O AC510865 [0,1,1,0,0,0|1,0,0]=3 161 B8R0.7 NCCCCCC(O)=O HY-B0236 [0,1,1,0,0,0|1,0,0]=3 162 B8R0.7 OC(=O)CCCCCBr AC510767 [0,1,1,0,0,0|1,0,0]=3 163 B8R0.8 C[Se]CCC(N)C(O)=O HY-B1000 [0,1,1,0,0,0|2,0,0]=4 164 B8R0.8 C[Se]CC[C@H](N)C(O)=O HY-B1000A [0,1,1,0,0,0|2,0,0]=4 165 B8R0.8 NCCC[C@H](N)C(O)=O HY-B1352 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.21 CCCCOS(C)(=O)=O AC512087 [0,1,1,0,0,0|2,0,0]=4 167 B8R0.28 CC(=O)CCCC(O)=O AC180079 [0,1,1,0,0,0|1,0,1]=4 168 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,1,1,0,0,0|1,0,1]=4 169 B8R0.28 CN(C)CCCC(O)=O AC130623 [0,1,1,0,0,0|1,0,0]=3 170 B8R0.1 C#CCCC(=O)CCO LN02210609 [0,1,1,0,0,0|1,0,1]=4 171 B8R0.1 CCOC(=O)CCCI LN00197663 [0,1,1,0,0,0|1,0,0]=3 172 B8R0.1 CCOC(=O)CCNC AC020893 [0,1,1,0,0,0|1,0,0]=3 173 B8R0.3 CCOC(=O)[C@@H](N)CO AC511631 [0,1,1,0,0,0|2,0,0]=4 174 B8R1.2 BrCC1CCCCC1 AC500277 [1,1,0,0,0,0|0,0,1]=3 175 B8R1.2 BrCC1CCNCC1 AC160050 [1,1,0,0,0,0|1,0,1]=4 176 B8R1.2 BrCC1CCOCC1 AC181709 [1,1,0,0,0,0|1,0,1]=4 177 B8R1.2 C1CC(CF)CNC1 LN00169987 [1,1,0,0,0,0|1,0,0]=3 178 B8R1.2 C1CNCCC1CBr LN00191121 [1,1,0,0,0,0|1,0,1]=4 179 B8R1.2 C1COCCC1CI LN00003775 [1,1,0,0,0,0|1,0,1]=4 180 B8R1.2 C1COCCC1CN LN00001650 [1,1,0,0,0,0|1,0,1]=4 181 B8R1.2 C1CO[C@H](CN)CO1 LN00214849 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.2 CCC1CNCCN1 AC050333 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.2 CC[C@@H]1CNCCN1 AC020437 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.2 CC[C@H]1CNCCN1 AC020349 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.2 CNC1CCCCC1 AC500155 [1,1,0,0,0,0|0,0,1]=3 186 B8R1.2 CNC1CCOCC1 AC220045 [1,1,0,0,0,0|1,0,1]=4 187 B8R1.2 FCC1CCCNC1 AC160126 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.2 FCC1CCNCC1 AC160366 [1,1,0,0,0,0|1,0,1]=4 189 B8R1.2 ICC1CCOCC1 AC170132 [1,1,0,0,0,0|1,0,1]=4 190 B8R1.2 NNC1CCCCC1 AC510702 [1,1,0,0,0,0|1,0,1]=4 191 B8R1.2 O=CC1CCOCC1 AC220055 [1,1,0,0,0,0|1,0,1]=4 192 B8R1.2 OCC1CCCNC1 AC180122 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.2 OCC1CCCOC1 AC050373 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.2 OCC1CCNCC1 AC180829 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.2 OCC1CCOCC1 AC181017 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.2 OC[C@@H]1CCCCN1 AC160434 [1,1,0,0,0,0|1,0,1]=4 197 B8R1.2 OC[C@@H]1CNCCO1 AC182725 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.2 OC[C@H]1CNCCO1 AC182609 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.2 [C-]#[N+]C1CCCCC1 AC190311 [1,1,0,0,0,0|0,0,2]=4 200 B8R1.3 CN1CCC(O)CC1 AC511326 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.3 C[C@H]1CC[C@H](N)CC1 AC182092 [1,1,0,0,0,0|0,0,1]=3 202 B8R1.3 NC1CCC(=O)CC1 AC511876 [1,1,0,0,0,0|0,0,0]=2 203 B8R1.3 N[C@H]1CC[C@H](N)CC1 AC500280 [1,1,0,0,0,0|1,0,1]=4 204 B8R1.3 OC1CCC(=O)CC1 AC070138 [1,1,0,0,0,0|0,0,0]=2 205 B8R1.3 OC1CCC(=O)NC1 AC050438 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.3 O[C@@H]1CCC(=O)NC1 AC050213 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.3 O[C@H]1CCC(=O)NC1 AC050474 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.5 CC1CNCCC1=O AC050554 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.5 CC1CNCCC1=O AC050590 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.5 CC1CNCCC1=O LN00001086 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.5 CC1CNCCN1C AC511879 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.5 CC1COCCC1=O AC182732 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.5 CC1COCCC1N AC050303 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.5 CN1CCNCC1=O AC180697 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.5 C[C@@H]1CCNC[C@@H]1O LN00001944 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.5 C[C@@H]1CCNC[C@H]1O LN00001670 [1,1,0,0,0,0|1,0,1]=4 217 B8R1.5 N[C@@H]1CCCC[C@H]1N AC021058 [1,1,0,0,0,0|1,0,1]=4 218 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-17371 [1,1,0,0,0,0|1,0,1]=4 219 B8R1.5 N[C@@H]1CCCC[C@H]1O AC182207 [1,1,0,0,0,0|0,0,2]=4 220 B8R1.5 N[C@H]1CCCC[C@@H]1N AC021057 [1,1,0,0,0,0|1,0,1]=4 221 B8R1.5 N[C@H]1CCCC[C@@H]1O AC130140 [1,1,0,0,0,0|0,0,2]=4 222 B8R1.5 N[C@H]1CCCC[C@H]1N AC511022 [1,1,0,0,0,0|1,0,1]=4 223 B8R1.5 N[C@H]1CCCNC1=O AC182393 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.5 O=C1CCCCC1=O AC500073 [1,1,0,0,0,0|0,0,1]=3 225 B8R1.72 CC1(C)CCNCC1 AC511246 [1,1,0,0,0,0|1,0,1]=4 226 B8R1.72 CC1(C)CNCCN1 AC182060 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.72 CC1(C)CNCCO1 AC182432 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.72 CC1(O)CCNCC1 AC020360 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.72 CC1(O)CCNCC1 AC220196 [1,1,0,0,0,0|1,0,1]=4 230 B8R1.72 FC1(F)CCCNC1 AC160452 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.72 O=S1(=O)CCNCC1 AC500072 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.72 O=S1(=O)CCNCC1 AC511235 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.1 BrCC1CCC(=O)O1 AC021454 [0,1,0,0,1,0|1,0,0]=3 234 B8R1.1 BrC[C@@H]1CCC(=O)N1 AC020723 [0,1,0,0,1,0|1,0,0]=3 235 B8R1.1 C=CC1COC(=O)C1 AC020673 [0,1,0,0,1,0|1,0,1]=4 236 B8R1.1 OCC1CCC(=O)N1 AC160496 [0,1,0,0,1,0|1,0,0]=3 237 B8R1.1 OC[C@@H]1CCC(=O)N1 AC020686 [0,1,0,0,1,0|1,0,0]=3 238 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [0,1,0,0,1,0|1,0,0]=3 239 B8R1.1 OC[C@H]1CCC(=O)N1 AC170007 [0,1,0,0,1,0|1,0,0]=3 240 B8R1.50 CC1C(=O)CCC1=O AC511789 [0,1,0,0,1,0|1,0,1]=4 241 B8R1.50 CN1C(O)CCC1=O AC050544 [0,1,0,0,1,0|2,0,0]=4 242 B8R1.51 CC1(C)CCC(=O)C1 AC120015 [0,1,0,0,1,0|0,0,0]=2 243 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AC010041 [0,1,0,0,1,0|2,0,0]=4 244 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AC010262 [0,1,0,0,1,0|2,0,0]=4 245 B8R1.11 CN1CCC[C@@H]1CO AC182098 [0,1,0,0,1,0|2,0,0]=4 246 B10R1.485 CC1(CCCC(=O)C1)C#N AC010049 [0,2,0,0,0,0|0,0,0]=2 247 B10R1.329 CC1(C)CC(=O)CC(=O)N1 AC210001 [0,2,0,0,0,0|1,0,1]=4 248 B10R1.120 CN1CCC(N)C(C)(C)C1 AC051104 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.34 OC(=O)CC1CCC1 AC050613 [0,0,1,1,0,0|1,0,0]=3 250 B8R1.7 CC(=O)C1CCCC1 AC512080 [0,0,1,1,0,0|0,0,0]=2 251 B8R1.7 CC(=O)C1CCOC1 AC220028 [0,0,1,1,0,0|1,0,0]=3 252 B8R1.7 NC(=O)[C@@H]1CCCN1 AC180093 [0,0,1,1,0,0|2,0,0]=4 253 B8R1.7 OC(=O)C1CCCC1 AC180019 [0,0,1,1,0,0|1,0,0]=3 254 B8R1.7 OC(=O)C1CCCC1 AC500306 [0,0,1,1,0,0|1,0,0]=3 255 B8R1.7 OC(=O)C1CCCO1 AC511285 [0,0,1,1,0,0|2,0,0]=4 256 B8R1.7 OC(=O)C1CCCS1 AC040081 [0,0,1,1,0,0|2,0,0]=4 257 B8R1.7 OC(=O)C1CCOC1 AC190250 [0,0,1,1,0,0|2,0,0]=4 258 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [0,0,1,1,0,0|2,0,0]=4 259 B8R1.7 OC(=O)[C@@H]1CCNC1 AC182243 [0,0,1,1,0,0|2,0,0]=4 260 B8R1.7 OC(=O)[C@H]1CCNC1 AC182027 [0,0,1,1,0,0|2,0,0]=4 261 B8R1.22 CC1CCCCCN1 LN00112400 [0,0,1,1,0,0|1,0,1]=4 262 B8R1.22 CC1CCCCNC1 LN00001181 [0,0,1,1,0,0|1,0,1]=4 263 B8R1.22 O=C1CCCCC=C1 AC510631 [0,0,1,1,0,0|0,0,2]=4 264 B8R1.22 O=C1CCCNCC1 AC170015 [0,0,1,1,0,0|1,0,0]=3 265 B8R1.22 O=C1CCNCCN1 AC182497 [0,0,1,1,0,0|2,0,0]=4 266 B8R1.22 O=C1CNCCCN1 AC182793 [0,0,1,1,0,0|2,0,0]=4 267 B10R2.62 O=C1CN2CCC1CC2 AC020660 [0,1,0,1,0,0|1,0,0]=3 268 B10R2.62 O=C1CN2CCC1CC2 AC020668 [0,1,0,1,0,0|1,0,0]=3 269 B6R0.3 CCC(=O)N(C)C AC130337 [0,0,1,0,1,0|1,0,0]=3 270 B6R0.3 CCC(C)C(O)=O AC180050 [0,0,1,0,1,0|1,0,0]=3 271 B6R0.3 CCC(N)C(N)=O AC021619 [0,0,1,0,1,0|2,0,0]=4 272 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,0,1,0,1,0|2,0,0]=4 273 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,0,1,0,1,0|2,0,0]=4 274 B6R0.3 CN(C)C(=O)CBr AC511120 [0,0,1,0,1,0|2,0,0]=4 275 B6R0.3 CN(C)C(=O)CN AC190042 [0,0,1,0,1,0|2,0,0]=4 276 B6R0.3 COC(=O)C(C)C AC130130 [0,0,1,0,1,0|1,0,0]=3 277 B6R0.3 COC(=O)[C@@H](C)N AC511504 [0,0,1,0,1,0|2,0,0]=4 278 B6R0.3 COC(=O)[C@H](C)N AC500273 [0,0,1,0,1,0|2,0,0]=4 279 B6R0.3 COC(C)C(O)=O AC511149 [0,0,1,0,1,0|2,0,0]=4 280 B6R0.3 CON(C)C(C)=O AC130053 [0,0,1,0,1,0|2,0,0]=4 281 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,0,1,0,1,0|2,0,0]=4 282 B6R1.2 BrC1CCOC1 AC190141 [1,0,0,0,1,0|2,0,0]=4 283 B6R1.2 C1CNCC1F LN00001937 [1,0,0,0,1,0|2,0,0]=4 284 B6R1.2 C1CNC[C@@H]1O LN00165601 [1,0,0,0,1,0|2,0,0]=4 285 B6R1.2 C1COCC1I LN00003379 [1,0,0,0,1,0|2,0,0]=4 286 B6R1.2 C1COC[C@H]1O LN00007278 [1,0,0,0,1,0|2,0,0]=4 287 B6R1.2 C1CSCC1=O LN00009539 [1,0,0,0,1,0|1,0,0]=3 288 B6R1.2 CC1=CCCC1 AC220188 [1,0,0,0,1,0|0,0,1]=3 289 B6R1.2 CC1CCNC1 LN00002080 [1,0,0,0,1,0|1,0,0]=3 290 B6R1.2 C[C@@H]1CCCN1 AC200009 [1,0,0,0,1,0|1,0,0]=3 291 B6R1.2 ClC1CCOC1 AC220018 [1,0,0,0,1,0|2,0,0]=4 292 B6R1.2 F[C@@H]1CCNC1 AC511015 [1,0,0,0,1,0|2,0,0]=4 293 B6R1.2 F[C@H]1CCNC1 AC511044 [1,0,0,0,1,0|2,0,0]=4 294 B6R1.2 IC1CCOC1 AC220019 [1,0,0,0,1,0|2,0,0]=4 295 B6R1.2 NC1=NCCC1 AC020022 [1,0,0,0,1,0|2,0,0]=4 296 B6R1.2 NC1CCNC1 AC220157 [1,0,0,0,1,0|2,0,0]=4 297 B6R1.2 NC1CCOC1 AC220015 [1,0,0,0,1,0|2,0,0]=4 298 B6R1.2 NN1CCCC1 AC160502 [1,0,0,0,1,0|2,0,0]=4 299 B6R1.2 O=C1CCNC1 AC220156 [1,0,0,0,1,0|1,0,0]=3 300 B6R1.2 O=C1CCNC1 AC511910 [1,0,0,0,1,0|1,0,0]=3 301 B6R1.2 O=C1CCNN1 AC130160 [1,0,0,0,1,0|2,0,0]=4 302 B6R1.2 O=C1CCOC1 AC220014 [1,0,0,0,1,0|1,0,0]=3 303 B6R1.2 O=C1NCCO1 AC510795 [1,0,0,0,1,0|2,0,0]=4 304 B6R1.2 OC1CC=CC1 AC181108 [1,0,0,0,1,0|1,0,1]=4 305 B6R1.2 OC1CCCC1 AC190215 [1,0,0,0,1,0|1,0,0]=3 306 B6R1.2 OC1CCNC1 AC181524 [1,0,0,0,1,0|2,0,0]=4 307 B6R1.2 OC1CCOC1 AC021063 [1,0,0,0,1,0|2,0,0]=4 308 B6R1.2 O[C@@H]1CCOC1 AC180598 [1,0,0,0,1,0|2,0,0]=4 309 B6R1.2 O[C@H]1CCNC1 AC021101 [1,0,0,0,1,0|2,0,0]=4 310 B6R1.2 O[C@H]1CCNC1 AC510620 [1,0,0,0,1,0|2,0,0]=4 311 B6R1.2 O[C@H]1CCOC1 AC180577 [1,0,0,0,1,0|2,0,0]=4