0 B12R0.69 O=C(OCC)[C@H](N)CC(OCC)=O AK-43918 [0,0,0,0,0,0|1,0,0]=1 1 B12R0.69 O=C(OCC)[C@H](O)CC(OCC)=O AK142886 [0,0,0,0,0,0|0,0,0]=0 2 B12R0.69 [C@H](N)(CC(=O)OCC)C(=O)OCC AK-49446 [0,0,0,0,0,0|1,0,0]=1 3 B12R0.69 [O-]\C(C(OCC)=O)=C/C(OCC)=O AK-65293 [0,0,0,0,0,0|0,0,3]=3 4 B11R0.43 CCOC(=O)C(=O)CC(=O)CC AK-51317 [1,0,0,0,0,0|0,0,2]=3 5 B11R0.62 O=C(OCC)C#CC(OCC)=O AK120940 [1,0,0,0,0,0|0,0,2]=3 6 B11R0.62 O=C(OCC)CCC(OCC)=O AK151972 [1,0,0,0,0,0|0,0,0]=1 7 B11R0.155 O=C(OCC)C(\C=C\OCC)=O AK127916 [1,0,0,0,0,0|0,0,3]=4 8 B13R0.674 O=C(OCC)C(C)C(C(OCC)=O)=O AK198714 [0,1,0,0,0,0|0,0,2]=3 9 B13R0.674 O=C(OCC)[C@@H](O)[C@H](O)C(OCC)=O AK-33203 [0,1,0,0,0,0|0,0,0]=1 10 B13R0.674 O=C(OCC)[C@H](O)[C@@H](O)C(OCC)=O AK109326 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.1494 O=C(OCC)C(CC(C1CC1)=O)=O AK124412 [0,0,0,1,0,0|1,0,2]=4 12 B13R1.1515 O=C(C1C(C(OCC)=O)C1)OCC AK-45617 [0,0,0,1,0,0|1,0,0]=2 13 B11R0.177 CCOC(=O)C(=C)C(=O)OCC AK-64678 [0,0,0,0,1,0|1,0,1]=3 14 B11R0.177 O=C(OCC)C(C)C(OCC)=O AK400182 [0,0,0,0,1,0|1,0,0]=2 15 B11R0.177 O=C(OCC)C(N)C(OCC)=O AK-45984 [0,0,0,0,1,0|1,0,0]=2 16 B13R0.18 C(C)OC(C(=O)NCC(=O)OCC)=O AK-50606 [0,0,0,0,0,1|0,0,2]=3 17 B13R0.18 N[C@@H](CCC(OCC)=O)C(OCC)=O AK-47724 [0,0,0,0,0,1|1,0,0]=2 18 B13R0.18 O=C(OCC)C(CCC(OCC)=O)=O AK126628 [0,0,0,0,0,1|0,0,2]=3 19 B13R0.18 O=C(OCC)C(O)CCC(OCC)=O AK158429 [0,0,0,0,0,1|0,0,0]=1 20 B13R0.18 O=C(OCC)[C@H](N)CCC(OCC)=O AK202908 [0,0,0,0,0,1|1,0,0]=2 21 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [2,0,0,0,0,0|0,0,2]=4 22 B10R0.32 CC(CC(C(OCC)=O)=O)=O AK-49984 [2,0,0,0,0,0|0,0,2]=4 23 B10R0.46 C(C(C(OC)=O)=C)C(OC)=O AK-44748 [2,0,0,0,0,0|1,0,1]=4 24 B10R0.46 C([C@@H](O)CC(=O)OC)(=O)OC AK-50385 [2,0,0,0,0,0|0,0,0]=2 25 B10R0.46 N[C@@H](CC(OC)=O)C(OC)=O AK-41631 [2,0,0,0,0,0|1,0,0]=3 26 B10R0.46 O=C(OC)C(N)CC(OC)=O AK170024 [2,0,0,0,0,0|1,0,0]=3 27 B10R0.46 O=C(OC)[C@H](Br)CC(OC)=O AK-43703 [2,0,0,0,0,0|1,0,0]=3 28 B10R0.46 O=C(OC)[C@H](N)CC(OC)=O AK-50044 [2,0,0,0,0,0|1,0,0]=3 29 B10R0.108 O=C(OCC)CNC(OC)=O AK-93553 [2,0,0,0,0,0|1,0,0]=3 30 B12R0.8 C(OC(C(C(OCC)=O)=CN)=O)C AK-45245 [0,1,0,0,1,0|1,0,1]=4 31 B12R0.8 O=C(OCC)C(C(OCC)=O)=CC AK306932 [0,1,0,0,1,0|1,0,1]=4 32 B12R0.8 O=C(OCC)C(CC)C(OCC)=O AK167609 [0,1,0,0,1,0|1,0,0]=3 33 B12R0.8 O=C(OCC)C(NC)C(OCC)=O AK188536 [0,1,0,0,1,0|1,0,0]=3 34 B14R0.719 O=C(OCC)C(F)(F)CCC(OCC)=O AK130467 [0,1,0,0,0,1|1,0,0]=3 35 B14R0.69 O=C(OC(C)C)[C@H](O)CC(OC(C)C)=O AK110925 [0,2,0,0,0,0|0,0,0]=2 36 B14R0.713 O=C(OCC)C(C(C)=O)CC(OCC)=O AK115619 [0,2,0,0,0,0|0,0,1]=3 37 B12R1.308 O=C([C@H]1[C@@H](O)CCCC1)OCC AK173002 [1,0,0,1,0,0|1,0,1]=4 38 B12R1.308 O=C([C@H]1[C@H](O)CCCC1)OCC AK-81366 [1,0,0,1,0,0|1,0,1]=4 39 B12R1.17 CCOC(=O)C1CC(=O)CCO1 AK109446 [1,0,0,1,0,0|0,0,0]=2 40 B12R1.17 O=C(C1CC(CCC1)=O)OCC AK-45206 [1,0,0,1,0,0|1,0,0]=3 41 B12R1.313 O=C1C=C(C)C(C(OCC)=O)C1 AK319288 [1,0,0,1,0,0|1,0,1]=4 42 B12R1.318 O=C(OCC)CC1C(CCC1)=O AK-48019 [1,0,0,1,0,0|1,0,0]=3 43 B12R1.1595 CCOC(=O)C1(O)CCCCC1 AK102458 [1,0,0,1,0,0|1,0,1]=4 44 B12R1.1579 O=C(N1C(C)C(CC1)=O)OCC AK156845 [1,0,0,1,0,0|2,0,0]=4 45 B12R0.285 O=C(OCC)CCCC(OCC)=O AK112428 [1,0,0,0,0,1|0,0,0]=2 46 B12R0.285 O=C(OCC)CNCC(OCC)=O AK-82275 [1,0,0,0,0,1|0,0,0]=2