| 登録コード | 分子式 | 化 合 物 名 | 英 語 名 |
| c0001.pdb | C6H6 | ベンゼン | Benzene |
| c0002.pdb | C7H8 | トルエン | Toluene |
| c0003.pdb | C8H10 | エチルベンゼン | Ethylbenzene |
| c0004.pdb | C9H12 | プロピルベンゼン | Propylbenzene |
| c0005.pdb | C9H12 | クメン | Cumene |
| c0006.pdb | C10H14 | ブチルベンゼン | Butylbenzene |
| c0007.pdb | C10H14 | イソブチルベンゼン | Isobutylbenzene |
| c0008.pdb | C10H14 | sec-ブチルベンゼン | sec-Butylbenzene |
| c0009.pdb | C10H14 | tert-ブチルベンゼン | tert-Butylbenzene |
| c00100.pdb | C11H16 | ペンチルベンゼン | Pentylbenzene |
| c00101.pdb | C12H18 | n-ヘキシルルベンゼン | n-Hexylbenzene |
| c0011.pdb | C18H30 | ドデシルベンゼン | Dodecylbenzene |
| c00120.pdb | C8H10 | o-キシレン | o-Xylene |
| c00121.pdb | C8H10 | m-キシレン | m-Xylene |
| c00122.pdb | C8H10 | p-キシレン | p-Xylene |
| c00130.pdb | C9H12 | o-エチルトルエン | o-Ethyltoluene |
| c00131.pdb | C9H12 | m-エチルトルエン | m-Ethyltoluene |
| c00132.pdb | C9H12 | p-エチルトルエン | p-Ethyltoluene |
| c00140.pdb | C10H14 | o-シメン | o-Cymene |
| c00141.pdb | C10H14 | m-シメン | m-Cymene |
| c00142.pdb | C10H14 | p-シメン | p-Cymene |
| c00150.pdb | C11H16 | o-tert-ブチルトルエン | o-tert-Butyltoluene |
| c00151.pdb | C11H16 | m-tert-ブチルトルエン | m-tert-Butyltoluene |
| c00152.pdb | C11H16 | p-tert-ブチルトルエン | p-tert-Butyltoluene |
| c00160.pdb | C10H14 | o-ジエチルベンゼン | o-Diethylbenzene |
| c00161.pdb | C10H14 | m-ジエチルベンゼン | m-Diethylbenzene |
| c00162.pdb | C10H14 | p-ジエチルベンゼン | p-Diethylbenzene |
| c0017.pdb | C9H12 | 1,2,3-トリメチルベンゼン | 1,2,3-Trimethylbenzene |
| c0018.pdb | C9H12 | 1,2,4-トリメチルベンゼン | 1,2,3-Trimethylbenzene |
| c0019.pdb | C9H12 | 1,3,5-トリメチルベンゼン | 1,3,5-Trimethylbenzene |
| c0020.pdb | C10H14 | 1,2,3,4-テトラメチルベンゼン | 1,2,3,4-Tetramethylbenzene |
| c0021.pdb | C10H14 | 1,2,3,5-テトラメチルベンゼン | 1,2,3,5-Tetramethylbenzene |
| c0022.pdb | C10H14 | 1,2,4,5-テトラメチルベンゼン | 1,2,4,5-Tetramethylbenzene |
| c0023.pdb | C11H16 | ペンタメチルベンゼン | Pentamethylbenzene |
| c0024.pdb | C12H18 | ヘキサメチルベンゼン | Hexamethylbenzene |
| c0025.pdb | C18H30 | ヘキサエチルベンゼン | Hexaethylbenzene |