0 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,0,0,0,0,0|2,1,1]=4 1 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917 [0,0,0,0,0,0|2,2,0]=4 3 B7R0.10 O[C@@H](CS)[C@H](O)CS HY-15916 [0,0,0,0,0,0|2,2,0]=4 4 B6R0.1 CCC(C)CNC AC010501 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 CCC(C)CNC AC010533 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 CCCC(C)NC AC010486 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCCC(C)NC AC010524 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 CCC[C@H](N)CO AC020141 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 CCOC(=O)CO AC130521 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.3 CC(C)[C@@H](N)CO AC180576 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.3 CC(C)[C@H](N)CO AC510687 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.3 CCC(=O)N(C)C AC130337 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.3 CCC(C)C(O)=O AC180050 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CC[C@H](N)C(O)=O AC511519 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 CNC(C)C(C)C AC010479 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.3 CNC(C)C(C)C AC010530 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.3 COC(=O)C(C)C AC130130 [1,0,0,0,0,0|1,1,1]=4 19 B8R0.2 CCC(C)C(N)C(O)=O AC510945 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.2 CC[C@H](C)[C@@H](C(=N)O)N LN00239756 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.3 CCOC(=O)[C@@H](N)CO AC511631 [0,1,0,0,0,0|1,1,1]=4 22 B8R1.5 CC1CNCCC1=O AC050554 [0,0,0,1,0,0|1,1,1]=4 23 B8R1.5 CC1CNCCC1=O AC050590 [0,0,0,1,0,0|1,1,1]=4 24 B8R1.5 CC1CNCCC1=O LN00001086 [0,0,0,1,0,0|1,1,1]=4 25 B8R1.5 CC1CNCCN1C AC511879 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.5 CC1COCCC1=O AC182732 [0,0,0,1,0,0|0,1,1]=3 27 B8R1.5 CC1COCCC1N AC050303 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.5 C[C@@H]1CCNC[C@@H]1O LN00001944 [0,0,0,1,0,0|2,1,0]=4 29 B8R1.5 C[C@@H]1CCNC[C@H]1O LN00001670 [0,0,0,1,0,0|2,1,0]=4 30 B8R1.5 N[C@@H]1CCCC[C@H]1N AC021058 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-17371 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.5 N[C@@H]1CCCC[C@H]1O AC182207 [0,0,0,1,0,0|2,1,0]=4 33 B8R1.5 N[C@H]1CCCC[C@@H]1N AC021057 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 N[C@H]1CCCC[C@@H]1O AC130140 [0,0,0,1,0,0|2,1,0]=4 35 B8R1.5 N[C@H]1CCCC[C@H]1N AC511022 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.11 CN1CCC[C@@H]1CO AC182098 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.50 CN1C(O)CCC1=O AC050544 [0,0,0,1,0,0|1,1,1]=4 38 B5R0.1 CC(N)CCO AC511165 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 CCCB(O)O AC500236 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 CN(C)CCBr AC500092 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CN(C)CCBr LN00009696 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 C[C@@H](O)CCO AC500114 [2,0,0,0,0,0|0,1,0]=3 43 B5R0.1 C[C@H](N)CCO AC512035 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.2 C(CCI)CCl LN00199790 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CNCCCO AC510766 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.2 NCCCCBr AC511924 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.2 NCCCCO AC180225 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.2 OCCCC#N AC130359 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.2 OCCCCBr AC030135 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.3 NC(CO)CO AC500076 [2,0,0,0,0,0|1,1,0]=4 51 B5R0.3 NCC(O)CO AC180224 [2,0,0,0,0,0|1,1,0]=4 52 B5R0.3 NC[C@@H](O)CO AC181109 [2,0,0,0,0,0|1,1,0]=4 53 B5R0.3 OCC(O)CO HY-B1659 [2,0,0,0,0,0|1,1,0]=4 54 B5R0.3 OC[C@@H](O)CCl AC510842 [2,0,0,0,0,0|1,1,0]=4 55 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.7 CCCC(O)COC AC010185 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.7 COCC(N)COC AC511941 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.14 CC(C)(C)[C@@H](CO)N LN00225874 [1,1,0,0,0,0|2,0,0]=4 60 B7R1.1 BrCC1CCCC1 AC511868 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.1 BrCC1CCOC1 AC220023 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 C1CC(CO)NC1 LN00004769 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.1 C1CCC(C1)C=O LN00189003 [1,0,0,1,0,0|0,0,2]=4 64 B7R1.1 C1CNCC1CO LN00335121 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.1 C1COCC1CO LN00009482 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 ClCC1CCOC1 AC220022 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.1 ICC1CCOC1 AC220024 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.1 NCC1CCCC1 AC050593 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.1 NNC1CCCC1 AC050475 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 NNC1CCCC1 AC050611 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 O=CC1CCCC1 AC020554 [1,0,0,1,0,0|0,0,2]=4 73 B7R1.1 OCC1CC=CC1 AC181767 [1,0,0,1,0,0|0,0,2]=4 74 B7R1.1 OCC1CCCC1 AC180018 [1,0,0,1,0,0|0,0,0]=2 75 B7R1.1 OCC1CCCN1 AC510796 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.1 OCC1CCCO1 AC190177 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.1 OCC1CCOC1 AC220020 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.1 OC[C@@H]1CCCN1 AC180094 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.1 OC[C@H]1CCCN1 AC190243 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.2 CN1CCC(C1)O LN00004977 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.2 CN1CCC(O)C1 AC021691 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.2 CN1CC[C@H](C1)O LN00170776 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.2 CN1CC[C@H](O)C1 AC181714 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.3 BrC1CCNCC1 AC511729 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 BrC1CCOCC1 AC182117 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.3 C1CSCCC1O LN00163913 [1,0,0,1,0,0|0,2,0]=4 87 B7R1.3 C=C1CCOCC1 AC220043 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.3 CC1CNCCO1 AC182283 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 CC1CNCCO1 LN00002207 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.3 CC1COCCN1 LN00001061 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.3 C[C@@H]1COCCN1 AC182578 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.3 C[C@H]1CNCCO1 LN00221210 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.3 C[C@H]1COCCN1 AC020353 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.3 C[C@H]1COCCN1 LN00009351 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.3 ClC1CCOCC1 AC220190 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.3 FC1CCCNC1 AC160531 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 IC1CCOCC1 AC220044 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 NC1CCCNC1 AC180284 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 NC1CCNCC1 AC220142 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 NC1CCOCC1 AC180691 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.3 NC1CCOCC1 AC220011 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.3 NC1CCSCC1 AC040153 [1,0,0,1,0,0|1,1,0]=4 104 B7R1.3 NN1CCOCC1 AC130024 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 N[C@@H]1CCCNC1 AC020138 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 O=C1CCCOC1 AC220056 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.3 O=C1CCOCC1 AC180169 [1,0,0,1,0,0|0,1,1]=4 108 B7R1.3 OC1CCCNC1 AC180283 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 OC1CCCOC1 AC220041 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.3 OC1CCNCC1 AC180401 [1,0,0,1,0,0|1,1,0]=4 111 B7R1.3 OC1CCNCC1 AC220140 [1,0,0,1,0,0|1,1,0]=4 112 B7R1.3 OC1CCOCC1 AC220010 [1,0,0,1,0,0|0,1,0]=3 113 B7R1.3 OC1CCSCC1 AC010334 [1,0,0,1,0,0|0,2,0]=4 114 B7R1.3 O[C@@H]1CCCNC1 AC511587 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 O[C@H]1CCCNC1 AC181658 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [1,0,0,1,0,0|0,0,0]=2 118 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [1,0,0,1,0,0|0,0,0]=2 119 B7R1.4 C[C@H]1CNC[C@@H]1O LN00004480 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.4 C[C@H]1CNC[C@H]1O LN00001611 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.6 OCCN1CCC1 AC010299 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.25 CC1(CBr)COC1 AC181505 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.25 CC1(CO)COC1 AC511653 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.19 CC(N)C1(C)CC1 AC010387 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.23 OCC1CC1(F)F AC040147 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [0,0,0,1,0,1|2,0,0]=4 131 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [0,0,0,1,0,1|2,0,0]=4 132 B9R1.5 CC1CCNCCC1O LN00001096 [0,1,0,1,0,0|1,1,0]=4 133 B9R1.15 OC[C@H]1CCNC[C@H]1F AC160594 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.22 N[C@H]1C[C@H](O)[C@H](CO)C1 AC020450 [0,1,0,1,0,0|0,1,0]=3 135 B9R1.33 CN1CCCC1CCO LN00185424 [0,1,0,1,0,0|2,0,0]=4 136 B9R2.39 C1[C@H]2CN[C@@H]1C[C@@H]2F LN00245231 [0,0,0,2,0,0|2,0,0]=4 137 B9R2.53 OC1C2CC1CNC2 AC010346 [0,0,0,2,0,0|1,1,0]=4 138 B9R2.3 C1CC2CNCC2C1 AC181968 [0,0,0,2,0,0|2,0,0]=4 139 B9R2.3 C1C[C@H]2CNC[C@H]2C1 LN00007530 [0,0,0,2,0,0|2,0,0]=4