| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol10001 | CCCC/C=C/C(=O)O | 2 | 2 |
| mol10002 | CC(=O)CC(=O)C(C)C | 2 | 2 |
| mol10003 | C=C(CCCC)C(=O)O | 2 | 2 |
| mol10004 | CCC/C=C(\C)C(=O)O | 2 | 2 |
| mol10005 | CCC(C(C)=O)C(C)=O | 2 | 2 |
| mol10006 | O=C(O)C1(O)CCCCC1 | 2 | 2 |
| mol10007 | O=C(O)C1CCCCC1O | 2 | 2 |
| mol10008 | O=C(O)[C@H]1CC[C@H](O)CC1 | 2 | 2 |
| mol10009 | CCOC(=O)C(C)C(C)=O | 2 | 2 |
| mol10010 | CCOC(=O)CC(=O)CC | 2 | 2 |
| mol10011 | CCOC(=O)C(CC)C(=O)O | 2 | 2 |
| mol10012 | CCOC(=O)CC(=O)OCC | 2 | 2 |
| mol10013 | O=C(O)CCCCCC(=O)O | 3 | 3 |
| mol10014 | CC(C)(CC(=O)O)CC(=O)O | 3 | 3 |
| mol10015 | CC(C)(C)C(C(=O)O)C(=O)O | 3 | 3 |
| mol10016 | CCC(CC)(C(=O)O)C(=O)O | 3 | 3 |
| mol10017 | CCOC(=O)C(C)(C)C(=O)O | 2 | 2 |
| mol10018 | O=C(O)C1CC(O)C(O)C(O)C1 | 2 | 2 |
| mol10019 | CC(OC(C)(C)C(=O)O)C(=O)O | 2 | 3 |
| mol10020 | CCCCC(O)(C(=O)O)C(=O)O | 3 | 3 |