| a0001.pdb | C3H6O | アセトン | Acetone |
| a0002.pdb | C4H8O | エチルメチルケトン | Ethylmethylketone |
| a0003.pdb | C5H10O | 2-ペンタノン | 2-Pentanone |
| a0004.pdb | C5H10O | 3-ペンタノン | 3-Pentanone |
| a0005.pdb | C5H10O | 3-メチル-2-ブタノン | 3-Methyl-2-butanone |
| a0006.pdb | C6H12O | 2-ヘキサノン | 2-Hexanone |
| a0007.pdb | C6H12O | 3-ヘキサノン | 3-Hexanone |
| a00080.pdb | C6H12O | 4-メチル-2-ペンタノン | 4-Methyl-2-pentanone |
| a00081.pdb | C6H12O | 2-メチル-3-ペンタノン | 2-Methyl-3-pentanone |
| a0009.pdb | C6H12O | 3,3-ジメチル-2-ブタノン | 3,3-Dimethyl-2-butanone |
| a0010.pdb | C7H14O | 2-ヘプタノン | 2-Heptanone |
| a0011.pdb | C7H14O | 3-ヘプタノン | 3-Heptanone |
| a00120.pdb | C7H14O | 4-ヘプタノン | 4-Heptanone |
| a00121.pdb | C7H14O | 4-メチル-2-ヘキサノン | 4-Methyl-2-hexanone |
| a00122.pdb | C7H14O | 5-メチル-2-ヘキサノン | 5-Methyl-2-hexanone |
| a0013.pdb | C7H14O | 2,4-ジメチル-3-ペンタノン | 2,4-Dimethyl-3-pentanone |
| a00140.pdb | C8H16O | 2-オクタノン | 2-Octanone |
| a00141.pdb | C8H16O | 3-メチル-2-ヘプタノン | 3-Methyl-2-heptanone |
| a00142.pdb | C8H16O | 5-メチル-3-ヘプタノン | 5-Methyl-3-heptanone |
| a00143.pdb | C8H16O | 3-オクタノン | 3-Octanone |
| a0015.pdb | C8H16O | 6-メチル-2-ヘプタノン | 6-Methyl-2-heptanone |
| a0016.pdb | C9H18O | 2-ノナノン | 2-Nonanone |
| a0017.pdb | C9H18O | 5-ノナノン | 5-Nonanone |
| a0018.pdb | C9H18O | 2,6-ジメチル-4-ヘプタノン | 2,6-Dimethyl-4-heptanone |
| a0019.pdb | C9H18O | 2,2,4,4-テトラメチル-3-ペンタノン | 2,2,4,4-Tetramethyl-3-pentanone |
| a00200.pdb | C11H22O | 6-ウンデカノン | 6-Undecanone |
| a00201.pdb | C11H22O | 2-ウンデカノン | 2-Undecanone |
| a0021.pdb | C13H26O | 7-トリデカノン | 7-Tridecanone |
| a0022.pdb | C35H70O | 18-ペンタトリアコンタノン | 18-Pentatriacontanone |