0 B9R0.2 NCCCCCCC(O)=O AC180226 [1,0,0,0,0,0|1,0,1]=3 1 B9R0.5 CCOC(=O)CCCCBr AC511147 [1,0,0,0,0,0|2,0,1]=4 2 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O HY-U00250 [0,1,0,0,0,0|1,0,1]=3 3 B11R0.6 C[C@@H](O)CCOC(=O)C[C@@H](C)O HY-15344 [0,1,0,0,0,0|2,0,1]=4 4 B11R0.59 CCCC(C)N(C)CCC(O)=O AC010526 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.15 CCOC(=O)C1CCC(=O)C1 AC160465 [0,0,0,1,0,0|2,0,0]=3 6 B11R1.15 CCOC(=O)N1CCC(=O)C1 AC020773 [0,0,0,1,0,0|3,0,0]=4 7 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 AC180264 [0,0,0,1,0,0|2,0,0]=3 8 B9R0.48 CCOC(=O)CCC(C)=O AC510825 [0,0,0,0,1,0|2,0,0]=3 9 B11R0.176 CCOC(=O)NCCCC(O)=O AC030065 [0,0,0,0,0,1|1,0,0]=2 10 B8R0.7 CCCCCCB(O)O AC090081 [2,0,0,0,0,0|1,0,1]=4 11 B8R0.7 NCCCCCC(O)=O AC510865 [2,0,0,0,0,0|1,0,0]=3 12 B8R0.7 NCCCCCC(O)=O HY-B0236 [2,0,0,0,0,0|1,0,0]=3 13 B8R0.7 OC(=O)CCCCCBr AC510767 [2,0,0,0,0,0|1,0,0]=3 14 B8R0.28 CC(=O)CCCC(O)=O AC180079 [2,0,0,0,0,0|0,0,0]=2 15 B8R0.28 CN(C)CCCC(O)=O AC130623 [2,0,0,0,0,0|2,0,0]=4 16 B8R0.1 CCOC(=O)CCCI LN00197663 [2,0,0,0,0,0|2,0,0]=4 17 B10R0.82 COC(=O)CC[C@H](N)C(O)=O AC511522 [1,1,0,0,0,0|1,0,0]=3 18 B10R0.4 NCCCCCCCC(O)=O AC512135 [1,1,0,0,0,0|0,0,1]=3 19 B10R0.4 OC(=O)CCCCCCCBr AC511566 [1,1,0,0,0,0|0,0,1]=3 20 B10R0.74 CCCCCCCC(=O)NN AC180269 [1,1,0,0,0,0|1,0,1]=4 21 B10R0.74 CCCCCCCC(=O)NO AC170039 [1,1,0,0,0,0|0,0,1]=3 22 B10R0.74 COC(=O)CCCCCCBr AC500085 [1,1,0,0,0,0|1,0,1]=4 23 B10R0.74 COC(=O)CCCCCCN AC511150 [1,1,0,0,0,0|1,0,1]=4 24 B10R0.96 CN(C)NC(=O)CCC(O)=O HY-13643 [0,1,0,0,1,0|2,0,0]=4 25 B12R0.18 CCC[C@@H](C)C[C@H](CN)CC(O)=O HY-U00388 [0,2,0,0,0,0|1,0,1]=4 26 B12R0.140 CC(C)(C)OC(=O)NCCC(O)=O AC511663 [0,2,0,0,0,0|2,0,0]=4 27 B10R1.13 CN1CCC(CC1)C(O)=O AC182011 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.13 CN1CCC(CC1)C(O)=O AC190237 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.13 OC(=O)C1CCC(=O)CC1 AC511132 [1,0,0,1,0,0|0,0,0]=2 30 B10R1.13 OC(=O)C1CCC(=O)CN1 AC160004 [1,0,0,1,0,0|1,0,0]=3 31 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O AC021053 [1,0,0,1,0,0|0,0,2]=4 32 B10R1.14 COC(=O)C1CCC(=O)N1 AC160469 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 AC180646 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.18 C1CC(CC(=O)O)CNC1 LN00214899 [1,0,0,1,0,0|1,0,0]=3 35 B10R1.18 OC(=O)CC1CCCNC1 AC170098 [1,0,0,1,0,0|1,0,0]=3 36 B10R1.18 OC(=O)CC1CCNCC1 AC170072 [1,0,0,1,0,0|1,0,1]=4 37 B10R1.18 OC(=O)CC1CCNCC1 AC181391 [1,0,0,1,0,0|1,0,1]=4 38 B10R1.18 OC(=O)CC1CCOCC1 AC170121 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.18 OC(=O)CC1CNCCO1 AC320012 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.66 C(CC1OCCO1)C(=O)O LN00338985 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.66 OC(=O)CCC1OCCO1 AC270011 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.138 CCCC(=O)OC[C@H]1CO1 AC180614 [1,0,0,1,0,0|1,0,1]=4 43 B12R1.467 CCOC(=O)CCC1CC(=O)C1 AC010034 [0,0,0,1,0,1|2,0,0]=4 44 B12R1.101 OC(=O)CC1CC(=O)NC(=O)C1 AC100112 [0,1,0,1,0,0|1,0,1]=4 45 B12R1.1280 CC1(C)CC(=O)CCC1C(O)=O AC050028 [0,1,0,1,0,0|0,0,0]=2 46 B12R1.16 CCOC(=O)C1CCC(=O)CC1 AC511180 [0,1,0,1,0,0|2,0,0]=4 47 B12R1.16 CCOC(=O)C1CCC(=O)CC1 LN00009426 [0,1,0,1,0,0|2,0,0]=4 48 B8R0.9 NCC(=O)CCC(O)=O AC050222 [1,0,0,0,1,0|1,0,0]=3 49 B8R0.9 NCC(=O)CCC(O)=O AC510831 [1,0,0,0,1,0|1,0,0]=3 50 B8R0.9 NCC(=O)CCC(O)=O HY-N0305 [1,0,0,0,1,0|1,0,0]=3 51 B8R0.5 CCOC(=O)CC(N)=O AC180464 [0,0,0,0,2,0|2,0,0]=4 52 B8R0.5 CCOC(=O)CC([O-])=O AC130069 [0,0,0,0,2,0|1,0,1]=4