0 B7R1.4 BrC1CCOC1=O AC130063 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [0,0,0,0,0,0|1,0,2]=3 3 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [0,0,0,0,0,0|1,0,2]=3 4 B7R1.4 C[C@H]1CNC[C@@H]1O LN00004480 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.4 C[C@H]1CNC[C@H]1O LN00001611 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.4 NN1CCCC1=O AC050447 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.4 O[C@H]1CCNC1=O AC182048 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 BrC1CCOC1 AC190141 [1,0,0,0,0,0|1,1,1]=4 18 B6R1.2 C1CNCC1F LN00001937 [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 C1CNC[C@@H]1O LN00165601 [1,0,0,0,0,0|1,0,2]=4 20 B6R1.2 C1COCC1I LN00003379 [1,0,0,0,0,0|1,1,1]=4 21 B6R1.2 C1COC[C@H]1O LN00007278 [1,0,0,0,0,0|0,1,2]=4 22 B6R1.2 C1CSCC1=O LN00009539 [1,0,0,0,0,0|0,0,0]=1 23 B6R1.2 CC1=CCCC1 AC220188 [1,0,0,0,0,0|1,0,1]=3 24 B6R1.2 CC1=CN=CS1 AC510736 [1,0,0,0,0,0|1,0,2]=4 25 B6R1.2 CC1CCNC1 LN00002080 [1,0,0,0,0,0|2,0,1]=4 26 B6R1.2 C[C@@H]1CCCN1 AC200009 [1,0,0,0,0,0|1,0,1]=3 27 B6R1.2 ClC1CCOC1 AC220018 [1,0,0,0,0,0|1,1,1]=4 28 B6R1.2 F[C@@H]1CCNC1 AC511015 [1,0,0,0,0,0|2,0,1]=4 29 B6R1.2 F[C@H]1CCNC1 AC511044 [1,0,0,0,0,0|2,0,1]=4 30 B6R1.2 IC1CCOC1 AC220019 [1,0,0,0,0,0|1,1,1]=4 31 B6R1.2 NC1=NCCC1 AC020022 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 NC1CCNC1 AC220157 [1,0,0,0,0,0|2,0,1]=4 33 B6R1.2 NC1CCOC1 AC220015 [1,0,0,0,0,0|1,1,1]=4 34 B6R1.2 NN1CCCC1 AC160502 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 O=C1CC=NN1 AC250038 [1,0,0,0,0,0|2,0,1]=4 36 B6R1.2 O=C1CCNC1 AC220156 [1,0,0,0,0,0|1,0,0]=2 37 B6R1.2 O=C1CCNC1 AC511910 [1,0,0,0,0,0|1,0,0]=2 38 B6R1.2 O=C1CCNN1 AC130160 [1,0,0,0,0,0|2,0,0]=3 39 B6R1.2 O=C1CCOC1 AC220014 [1,0,0,0,0,0|0,1,0]=2 40 B6R1.2 O=C1NCCO1 AC510795 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 OC1CCCC1 AC190215 [1,0,0,0,0,0|1,0,2]=4 42 B6R1.2 OC1CCNC1 AC181524 [1,0,0,0,0,0|1,0,2]=4 43 B6R1.2 OC1CCOC1 AC021063 [1,0,0,0,0,0|0,1,2]=4 44 B6R1.2 O[C@@H]1CCOC1 AC180598 [1,0,0,0,0,0|0,1,2]=4 45 B6R1.2 O[C@H]1CCNC1 AC021101 [1,0,0,0,0,0|1,0,2]=4 46 B6R1.2 O[C@H]1CCNC1 AC510620 [1,0,0,0,0,0|1,0,2]=4 47 B6R1.2 O[C@H]1CCOC1 AC180577 [1,0,0,0,0,0|0,1,2]=4 48 B8R1.11 CN1CCC[C@@H]1CO AC182098 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.50 CC1C(=O)CCC1=O AC511789 [0,1,0,0,0,0|1,0,0]=2 50 B8R1.50 CN1C(O)CCC1=O AC050544 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.50 IN1C(=O)CCC1=O AC130490 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.50 ON1C(=O)CCC1=O AC510432 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CCCC(C)NC AC010486 [0,0,1,0,0,0|3,0,0]=4 54 B6R0.1 CCCC(C)NC AC010524 [0,0,1,0,0,0|3,0,0]=4 55 B6R0.1 CCOC(=O)CI AC131813 [0,0,1,0,0,0|3,0,0]=4 56 B6R0.1 CCOC(=O)CO AC130521 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.1 CCOC(=O)CS AC130132 [0,0,1,0,0,0|3,0,0]=4 58 B6R0.1 COC(=O)CCBr AC511067 [0,0,1,0,0,0|2,0,0]=3 59 B6R0.1 COC(=O)CCN AC510724 [0,0,1,0,0,0|2,0,0]=3 60 B6R0.3 CCC(=O)N(C)C AC130337 [0,0,1,0,0,0|2,0,0]=3 61 B6R0.3 CCC(C)C(O)=O AC180050 [0,0,1,0,0,0|2,0,0]=3 62 B6R0.3 CCC(N)C(N)=O AC021619 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,0,1,0,0,0|3,0,0]=4 65 B6R0.3 CN(C)C(=O)CBr AC511120 [0,0,1,0,0,0|3,0,0]=4 66 B6R0.3 CN(C)C(=O)CN AC190042 [0,0,1,0,0,0|3,0,0]=4 67 B6R0.3 CNC(C)C(C)C AC010479 [0,0,1,0,0,0|2,0,1]=4 68 B6R0.3 CNC(C)C(C)C AC010530 [0,0,1,0,0,0|2,0,1]=4 69 B6R0.3 COC(=O)C(C)C AC130130 [0,0,1,0,0,0|2,0,0]=3 70 B6R0.3 COC(=O)[C@@H](C)N AC511504 [0,0,1,0,0,0|2,0,0]=3 71 B6R0.3 COC(=O)[C@H](C)N AC500273 [0,0,1,0,0,0|2,0,0]=3 72 B6R0.3 COC(C)C(O)=O AC511149 [0,0,1,0,0,0|1,1,0]=3 73 B6R0.3 CON(C)C(C)=O AC130053 [0,0,1,0,0,0|1,1,0]=3 74 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,0,1,0,0,0|1,1,0]=3 75 B6R0.6 ClCCCCC=O AC511901 [0,0,1,0,0,0|2,0,0]=3 76 B6R0.6 OCCCCC=O AC511239 [0,0,1,0,0,0|2,0,0]=3 77 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,0,0,0,0,1|0,1,0]=2 78 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,0,0,0,0,1|2,0,1]=4 79 B8R1.4 CC1CCCC(N)C1 AC050625 [0,0,0,0,0,1|2,0,1]=4 80 B8R1.4 CN1CCCC(=O)C1 AC182125 [0,0,0,0,0,1|2,0,0]=3 81 B8R1.4 CN1CCNC(=O)C1 AC182677 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.4 CN1CCOC(=O)C1 AC170002 [0,0,0,0,0,1|3,0,0]=4 83 B8R1.4 O=C1CCCC(=O)C1 AC510798 [0,0,0,0,0,1|2,0,1]=4 84 B8R1.4 OC1CCNC(=O)C1 AC182440 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.5 CC1CNCCC1=O AC050554 [0,0,0,0,0,1|1,0,0]=2 86 B8R1.5 CC1CNCCC1=O AC050590 [0,0,0,0,0,1|1,0,0]=2 87 B8R1.5 CC1CNCCC1=O LN00001086 [0,0,0,0,0,1|1,0,0]=2 88 B8R1.5 CC1CNCCN1C AC511879 [0,0,0,0,0,1|3,0,0]=4 89 B8R1.5 CC1COCCC1=O AC182732 [0,0,0,0,0,1|0,1,0]=2 90 B8R1.5 CC1COCCC1N AC050303 [0,0,0,0,0,1|1,1,1]=4 91 B8R1.5 CN1CCNCC1=O AC180697 [0,0,0,0,0,1|2,0,0]=3 92 B8R1.5 C[C@@H]1CCNC[C@@H]1O LN00001944 [0,0,0,0,0,1|1,0,2]=4 93 B8R1.5 C[C@@H]1CCNC[C@H]1O LN00001670 [0,0,0,0,0,1|1,0,2]=4 94 B8R1.5 N[C@H]1CCCNC1=O AC182393 [0,0,0,0,0,1|2,0,0]=3 95 B8R1.5 O=C1CCCCC1=O AC500073 [0,0,0,0,0,1|2,0,1]=4 96 B5R0.1 CC(=O)CC#N AC511126 [1,0,1,0,0,0|1,0,1]=4 97 B5R0.1 CCCC([O-])=O HY-B0350A [1,0,1,0,0,0|2,0,0]=4 98 B5R0.1 CNCC(O)=O AC500168 [1,0,1,0,0,0|2,0,0]=4 99 B5R0.1 NCCC(N)=O AC510910 [1,0,1,0,0,0|2,0,0]=4 100 B5R0.2 BrCCCC=C AC500173 [1,0,1,0,0,0|2,0,0]=4 101 B5R0.3 COC(=O)CO AC190202 [1,0,1,0,0,0|1,1,0]=4 102 B5R1.1 C1CC=CO1 AC220197 [2,0,0,0,0,0|0,1,1]=4 103 B5R1.1 C1CSCN1 AC021375 [2,0,0,0,0,0|1,0,0]=3 104 B7R0.3 COC(=O)CCCBr AC511051 [0,1,1,0,0,0|2,0,0]=4 105 B7R0.3 COC(=O)CCCN AC510644 [0,1,1,0,0,0|2,0,0]=4 106 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.7 CCOC(=O)CCBr AC510407 [0,1,1,0,0,0|1,0,0]=3 108 B7R0.7 CCOC(=O)CCI AC180478 [0,1,1,0,0,0|1,0,0]=3 109 B7R0.7 CCOC(=O)CNN AC180293 [0,1,1,0,0,0|2,0,0]=4 110 B7R0.7 COCC(=O)COC AC512018 [0,1,1,0,0,0|2,0,0]=4 111 B7R0.7 ClCCC(=O)CCCl AC270026 [0,1,1,0,0,0|1,0,0]=3 112 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,1,1,0,0,0|1,1,0]=4 113 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,1,0,0,0|1,0,0]=3 114 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,1,1,0,0,0|1,1,0]=4 115 B7R0.13 CC(=O)C(C)(C)C#N LN01353121 [0,1,1,0,0,0|2,0,0]=4 116 B7R0.13 CC[C@](C)(C(=O)O)N LN01366341 [0,1,1,0,0,0|2,0,0]=4 117 B7R0.13 CC[C@](C)(N)C(O)=O AC511314 [0,1,1,0,0,0|2,0,0]=4 118 B7R0.14 COC(=O)C(C)(C)N AC180889 [0,1,1,0,0,0|2,0,0]=4 119 B7R0.14 COC(=O)C(C)(C)O AC130215 [0,1,1,0,0,0|1,1,0]=4 120 B7R0.15 CCC(CC)C(O)=O AC190325 [0,1,1,0,0,0|2,0,0]=4 121 B7R0.4 COCCCC(O)=O AC100091 [0,1,1,0,0,0|2,0,0]=4 122 B7R1.1 BrCC1CCCC1 AC511868 [1,1,0,0,0,0|1,0,1]=4 123 B7R1.1 C1CC(CO)NC1 LN00004769 [1,1,0,0,0,0|1,0,1]=4 124 B7R1.1 C1CCC(C1)C=O LN00189003 [1,1,0,0,0,0|1,0,1]=4 125 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [1,1,0,0,0,0|1,0,1]=4 126 B7R1.1 NCC1CCCC1 AC050593 [1,1,0,0,0,0|1,0,1]=4 127 B7R1.1 O=CC1CCCC1 AC020554 [1,1,0,0,0,0|1,0,1]=4 128 B7R1.1 O=CC1CCOC1 AC220027 [1,1,0,0,0,0|0,1,1]=4 129 B7R1.1 OCC1CCCC1 AC180018 [1,1,0,0,0,0|1,0,1]=4 130 B7R1.1 OCC1CCCN1 AC510796 [1,1,0,0,0,0|1,0,1]=4 131 B7R1.1 OCC1CCCO1 AC190177 [1,1,0,0,0,0|0,1,1]=4 132 B7R1.1 OC[C@@H]1CCCN1 AC180094 [1,1,0,0,0,0|1,0,1]=4 133 B7R1.1 OC[C@H]1CCCN1 AC190243 [1,1,0,0,0,0|1,0,1]=4 134 B7R1.2 C1[C@H](COC1=O)N LN00239300 [1,1,0,0,0,0|2,0,0]=4 135 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [1,1,0,0,0,0|2,0,0]=4 136 B7R1.2 O=C1CCC(=O)C1 AC170075 [1,1,0,0,0,0|1,0,0]=3 137 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [1,1,0,0,0,0|2,0,0]=4 138 B7R1.14 CC1(C)NCCS1 AC180306 [1,1,0,0,0,0|1,0,0]=3 139 B7R1.14 CC1(C)NCCS1 LN00173126 [1,1,0,0,0,0|1,0,0]=3 140 B9R1.66 CC1(C)CC(=O)CCO1 AC050266 [0,1,0,0,0,1|0,1,0]=3 141 B9R1.69 C[C@@H]1NC(=O)CNC1=O AC020921 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.40 C1CNCC(C1=O)(F)F LN00215144 [0,1,0,0,0,1|2,0,0]=4 143 B9R1.40 CC1(C)CCCCC1=O AC120013 [0,1,0,0,0,1|1,0,0]=3 144 B9R1.132 CN1C(CO)CCC1=O AC160593 [0,2,0,0,0,0|2,0,0]=4 145 B9R1.132 CN1CCC(CO)C1=O AC512125 [0,2,0,0,0,0|2,0,0]=4 146 B7R1.3 C1CSCCC1O LN00163913 [0,0,1,1,0,0|0,0,2]=4 147 B7R1.3 C=C1CCNCC1 AC050993 [0,0,1,1,0,0|2,0,0]=4 148 B7R1.3 C=C1CCNCC1 AC220141 [0,0,1,1,0,0|2,0,0]=4 149 B7R1.3 C=C1CCOCC1 AC220043 [0,0,1,1,0,0|1,1,0]=4 150 B7R1.3 NC1CCSCC1 AC040153 [0,0,1,1,0,0|1,0,1]=4 151 B7R1.3 O=C1CCCOC1 AC220056 [0,0,1,1,0,0|2,0,0]=4 152 B7R1.3 O=C1CCOCC1 AC180169 [0,0,1,1,0,0|0,1,0]=3 153 B7R1.3 O=C1CCSCC1 AC180170 [0,0,1,1,0,0|0,0,0]=2 154 B7R1.3 OC1CCSCC1 AC010334 [0,0,1,1,0,0|0,0,2]=4 155 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [0,0,1,1,0,0|1,1,0]=4 156 B7R1.18 NC(=O)C1CCC1 AC180388 [0,0,1,1,0,0|2,0,0]=4 157 B7R1.18 OC(=O)C1CCC1 AC131374 [0,0,1,1,0,0|2,0,0]=4 158 B7R1.18 OC(=O)C1CCN1 AC180596 [0,0,1,1,0,0|2,0,0]=4 159 B7R1.19 CC(=O)C1(C)CC1 AC010379 [0,0,1,1,0,0|1,0,0]=3 160 B7R1.19 CC1(CC1)C(O)=O AC010377 [0,0,1,1,0,0|2,0,0]=4 161 B9R2.39 O=C1N[C@H]2CC1C=C2 AC160185 [0,0,0,1,0,1|1,0,1]=4 162 B5R1.2 CC1CNC1 LN00002078 [1,0,0,0,1,0|1,0,1]=4 163 B5R1.2 O=C1CCC1 AC130256 [1,0,0,0,1,0|0,0,0]=2 164 B5R1.2 O=C1COC1 AC130304 [1,0,0,0,1,0|0,1,0]=3 165 B5R1.2 O=C1CSC1 AC010018 [1,0,0,0,1,0|0,0,0]=2 166 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,0,0,0,0,2|2,0,0]=4 167 B9R1.5 CC1CCNCCC1=O LN00001918 [0,0,0,0,0,2|1,0,0]=3 168 B9R1.5 NC1CCCCNC1=O AC021266 [0,0,0,0,0,2|2,0,0]=4 169 B9R1.5 NC1CCCCNC1=O AC180582 [0,0,0,0,0,2|2,0,0]=4 170 B9R1.5 N[C@@H]1CCCCNC1=O AC180246 [0,0,0,0,0,2|2,0,0]=4 171 B9R1.5 N[C@H]1CCCCNC1=O AC180583 [0,0,0,0,0,2|2,0,0]=4