0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 AC180616 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)[C@H]1COC(=O)N1 AC180263 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CN1CCC(C1)C(O)=O AC182036 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 OC(=O)C1CCC(=O)C1 AC160621 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 OC(=O)C1CCC(=O)N1 AC511521 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 AC190184 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 AC180591 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.35 O[C@@H]1CN[C@H](C1)C(O)=O AC182277 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O AC020366 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.1 BrCC1CCC(=O)O1 AC021454 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 BrC[C@@H]1CCC(=O)N1 AC020723 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.1 C=CC1COC(=O)C1 AC020673 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.1 OCC1CCC(=O)N1 AC160496 [1,0,0,0,0,0|0,0,1]=2 13 B8R1.1 OC[C@@H]1CCC(=O)N1 AC020686 [1,0,0,0,0,0|0,0,1]=2 14 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.1 OC[C@H]1CCC(=O)N1 AC170007 [1,0,0,0,0,0|0,0,1]=2 16 B8R1.7 CC(=O)C1CCCC1 AC512080 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.7 CC(=O)C1CCOC1 AC220028 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.7 NC(=O)[C@@H]1CCCN1 AC180093 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.7 OC(=O)C1=CCCC1 AC120012 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.7 OC(=O)C1=NC=CN1 AC180986 [1,0,0,0,0,0|1,0,2]=4 21 B8R1.7 OC(=O)C1CC=CC1 AC180693 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.7 OC(=O)C1CCCC1 AC180019 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.7 OC(=O)C1CCCC1 AC500306 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.7 OC(=O)C1CCCO1 AC511285 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.7 OC(=O)C1CCCS1 AC040081 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.7 OC(=O)C1CCOC1 AC190250 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 OC(=O)C1CSSC1 AC020754 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 OC(=O)C1CSSC1 HY-50730 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 OC(=O)[C@@H]1CCNC1 AC182243 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 OC(=O)[C@H]1CCNC1 AC182027 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.14 COC(=O)C1CCC(=O)N1 AC160469 [0,1,0,0,0,0|0,0,0]=1 33 B10R1.14 COC(=O)C1CNC(=O)C1 AC182255 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 AC180646 [0,1,0,0,0,0|0,0,0]=1 35 B10R1.359 OC(=O)C1CCC(F)(F)C1 AC160159 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.8 C[Se]CCC(N)C(O)=O HY-B1000 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.8 C[Se]CC[C@H](N)C(O)=O HY-B1000A [0,0,1,0,0,0|2,0,0]=3 38 B8R0.8 NCCC[C@H](N)C(O)=O HY-B1352 [0,0,1,0,0,0|1,0,1]=3 39 B8R0.9 NCC(=O)CCC(O)=O AC050222 [0,0,1,0,0,0|2,0,0]=3 40 B8R0.9 NCC(=O)CCC(O)=O AC510831 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.9 NCC(=O)CCC(O)=O HY-N0305 [0,0,1,0,0,0|2,0,0]=3 42 B8R0.23 C[C@@H](CC(=O)O)C(=O)O LN01743142 [0,0,1,0,0,0|2,0,0]=3 43 B8R0.23 C[C@H](NC(C)=O)C(O)=O AC190198 [0,0,1,0,0,0|0,0,0]=1 44 B8R0.23 C[C@H](OC(C)=O)C(O)=O AC020546 [0,0,1,0,0,0|1,0,0]=2 45 B8R0.23 O[C@H](CC(O)=O)C(O)=O AC180071 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.28 CC(=O)CCCC(O)=O AC180079 [0,0,1,0,0,0|1,0,0]=2 47 B8R0.28 CN(C)CCCC(O)=O AC130623 [0,0,1,0,0,0|3,0,0]=4 48 B8R1.23 CN1CC(C1)C(O)=O AC190103 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.23 OC(=O)C1CC(=C)C1 AC021200 [0,0,0,0,1,0|2,0,0]=3 50 B8R1.23 OC(=O)C1CC(=O)C1 AC130079 [0,0,0,0,1,0|1,0,0]=2 51 B10R1.13 CN1CCC(CC1)C(O)=O AC182011 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.13 CN1CCC(CC1)C(O)=O AC190237 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.13 OC(=O)C1CCC(=O)CC1 AC511132 [0,0,0,0,0,1|1,0,0]=2 54 B10R1.13 OC(=O)C1CCC(=O)CN1 AC160004 [0,0,0,0,0,1|0,0,0]=1 55 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O AC021053 [0,0,0,0,0,1|1,0,2]=4 56 B10R1.113 OC(=O)C1=CC=CC(=O)N1 AC180866 [0,0,0,0,0,1|0,0,3]=4 57 B7R0.4 COCCCC(O)=O AC100091 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [1,0,1,0,0,0|0,0,1]=3 59 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.5 COC[C@H](N)C(O)=O AC511991 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.5 NC(CCO)C(O)=O AC511583 [1,0,1,0,0,0|0,0,1]=3 62 B7R0.5 NCCC(N)C(O)=O AC511576 [1,0,1,0,0,0|1,0,0]=3 63 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [1,0,1,0,0,0|1,0,0]=3 64 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.5 N[C@@H](CC#C)C(O)=O AC030195 [1,0,1,0,0,0|0,0,2]=4 66 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [1,0,1,0,0,0|0,0,1]=3 67 B7R0.6 CC(=O)CCC(C)=O AC130061 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.15 CCC(CC)C(O)=O AC190325 [1,0,1,0,0,0|1,0,1]=4 69 B7R1.1 C1CC(CO)NC1 LN00004769 [2,0,0,0,0,0|0,0,2]=4 70 B7R1.1 C1CCC(C1)C=O LN00189003 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [2,0,0,0,0,0|0,0,2]=4 72 B7R1.1 O=CC1CCCC1 AC020554 [2,0,0,0,0,0|1,0,1]=4 73 B7R1.1 O=CC1CCOC1 AC220027 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.1 OCC1CCCN1 AC510796 [2,0,0,0,0,0|0,0,2]=4 75 B7R1.1 OC[C@@H]1CCCN1 AC180094 [2,0,0,0,0,0|0,0,2]=4 76 B7R1.1 OC[C@H]1CCCN1 AC190243 [2,0,0,0,0,0|0,0,2]=4 77 B7R1.2 O=C1CCC(=O)C1 AC170075 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [2,0,0,0,0,0|2,0,0]=4 79 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HY-101409 [0,1,1,0,0,0|1,0,0]=3 80 B9R0.7 NC(CCC(N)=O)C(O)=O HY-B1346 [0,1,1,0,0,0|0,0,0]=2 81 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HY-N0390 [0,1,1,0,0,0|0,0,0]=2 82 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HY-100587 [0,1,1,0,0,0|0,0,0]=2 83 B9R0.7 N[C@H](CCC(O)=O)C(O)=O AC510929 [0,1,1,0,0,0|0,0,0]=2 84 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HY-100805 [0,1,1,0,0,0|0,0,0]=2 85 B9R0.7 O[C@H](CCC([O-])=O)C([O-])=O HY-100542 [0,1,1,0,0,0|1,0,1]=4 86 B9R0.47 CCCCC[C@H](N)C(O)=O AC512037 [0,1,1,0,0,0|1,0,1]=4 87 B9R0.47 NCCCC[C@@H](N)C(O)=O AC180292 [0,1,1,0,0,0|1,0,1]=4 88 B9R0.47 NCCOC[C@H](N)C(O)=O HY-U00097 [0,1,1,0,0,0|1,0,1]=4 89 B9R0.47 N[C@@H](CSCC#C)C(O)=O AC160392 [0,1,1,0,0,0|1,0,1]=4 90 B9R0.48 CCOC(=O)CCC(C)=O AC510825 [0,1,1,0,0,0|2,0,0]=4 91 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O HY-B0215 [0,1,1,0,0,0|1,0,0]=3 92 B9R0.39 CN[C@H](CC(O)=O)C(O)=O HY-17551 [0,1,1,0,0,0|2,0,0]=4 93 B9R0.53 CN(CC(O)=O)CC(O)=O AC511698 [0,1,1,0,0,0|2,0,0]=4 94 B9R0.53 OC(=O)CS(=O)CC(O)=O AC010141 [0,1,1,0,0,0|2,0,0]=4 95 B9R1.132 CN1C(CO)CCC1=O AC160593 [1,1,0,0,0,0|0,0,1]=3 96 B9R1.11 COC(=O)C1CC=CC1 AC181768 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.11 COC(=O)C1CCCN1 AC511091 [1,1,0,0,0,0|0,0,1]=3 98 B9R1.11 COC(=O)C1CCNC1 AC170011 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.11 COC(=O)C1CCOC1 AC220026 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.11 COC(=O)[C@@H]1CCNC1 AC020253 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.11 COC(=O)[C@H]1CCCN1 AC021038 [1,1,0,0,0,0|0,0,1]=3 102 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170043 [1,1,0,0,0,0|0,0,1]=3 103 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170136 [1,1,0,0,0,0|0,0,1]=3 104 B9R1.41 CN1CCC[C@H]1C(O)=O AC180772 [1,1,0,0,0,0|0,0,1]=3 105 B9R1.163 C1CCC(C1)(C(=O)O)O LN00159103 [1,1,0,0,0,0|1,0,1]=4 106 B9R1.163 C1COCC1(C(=O)O)N LN00170684 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.163 C[C@@]1(CCCN1)C(=O)O LN00231771 [1,1,0,0,0,0|0,0,1]=3 108 B9R1.163 C[C@@]1(CCCN1)C(O)=O AC021002 [1,1,0,0,0,0|0,0,1]=3 109 B9R1.163 C[C@]1(CCCN1)C(O)=O AC020387 [1,1,0,0,0,0|0,0,1]=3 110 B9R1.163 C[C@]1(CCCN1)C(O)=O AC021246 [1,1,0,0,0,0|0,0,1]=3 111 B9R1.163 NC1(CCCC1)C(O)=O AC511825 [1,1,0,0,0,0|1,0,1]=4 112 B9R1.163 NC1(CCNC1)C(O)=O AC021073 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.82 COC(=O)C1CC(=O)C1 AC510932 [0,1,0,0,1,0|1,0,0]=3 114 B11R1.22 COC(=O)C1CCC(=O)CC1 AC511973 [0,1,0,0,0,1|1,0,0]=3 115 B11R1.22 COC(=O)N1CCC(=O)CC1 AC200090 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 AC021335 [0,1,0,0,0,1|1,0,1]=4 117 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 AC021334 [0,1,0,0,0,1|1,0,1]=4 118 B11R1.15 CCOC(=O)C1CCC(=O)C1 AC160465 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.15 CCOC(=O)N1CCC(=O)C1 AC020773 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 AC180264 [0,2,0,0,0,0|0,0,0]=2 121 B11R1.865 COC(=O)C1CCC(=O)N1C AC160326 [0,2,0,0,0,0|0,0,0]=2 122 B11R1.175 OC(=O)C1CCC(C1)C(O)=O AC181312 [0,2,0,0,0,0|1,0,1]=4 123 B9R1.6 OC(=O)C1CCCCN1 AC130051 [0,0,1,1,0,0|1,0,1]=4 124 B9R1.6 OC(=O)C1CCCCN1 AC510756 [0,0,1,1,0,0|1,0,1]=4 125 B9R1.6 OC(=O)[C@@H]1CCC=CC1 AC310100 [0,0,1,1,0,0|2,0,0]=4 126 B9R1.6 OC(=O)[C@H]1CCC=CC1 AC310113 [0,0,1,1,0,0|2,0,0]=4 127 B9R1.6 OC(=O)[C@H]1CCCCN1 AC180578 [0,0,1,1,0,0|1,0,1]=4 128 B9R1.110 NC(C1CCC1)C(O)=O AC050494 [0,0,1,1,0,0|1,0,1]=4 129 B9R1.110 N[C@H](C1CCC1)C(O)=O AC050744 [0,0,1,1,0,0|1,0,1]=4 130 B9R1.53 CC(=O)OC1CC(=O)N1 AC280001 [0,0,1,1,0,0|2,0,0]=4 131 B9R2.39 O=C1N[C@H]2CC1C=C2 AC160185 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.18 NC(=O)C1CCC1 AC180388 [1,0,0,0,1,0|1,0,1]=4 133 B7R1.18 OC(=O)C1CCC1 AC131374 [1,0,0,0,1,0|0,0,1]=3 134 B7R1.18 OC(=O)C1CCN1 AC180596 [1,0,0,0,1,0|0,0,0]=2 135 B7R1.18 OC(=O)C1COC1 AC511276 [1,0,0,0,1,0|1,0,1]=4 136 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,0,0,0,2,0|1,0,1]=4 137 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,0,0,0,2,0|1,0,1]=4 138 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,0,0,0,2,0|1,0,1]=4 139 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,0,0,0,2,0|1,0,1]=4 140 B9R0.55 CC(=O)NCCCC(O)=O HY-101411 [0,0,1,0,0,1|1,0,0]=3 141 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN00338388 [1,0,0,0,0,1|0,0,1]=3 142 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN01365844 [1,0,0,0,0,1|0,0,1]=3 143 B9R1.13 C1C[C@H](CC(=O)O)NC1 LN02056031 [1,0,0,0,0,1|0,0,1]=3 144 B9R1.13 OC(=O)CC1CCCC1 AC500174 [1,0,0,0,0,1|1,0,1]=4 145 B11R1.20 CC(=NC1CCC(=O)CC1)O LN00172581 [0,0,0,0,0,2|2,0,0]=4 146 B11R1.20 CC(=O)NC1CCC(=O)CC1 AC021650 [0,0,0,0,0,2|2,0,0]=4