| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol1741 | CC[C@@H](N)C(=O)OC | 2 | 2 |
| mol1742 | NCCc1ccccn1 | 3 | 3 |
| mol1743 | Cc1ccc(CN)cn1 | 3 | 4 |
| mol1744 | Cc1ccc(N)nc1 | 3 | 4 |
| mol1745 | Cc1cccc(N)n1 | 2 | 3 |
| mol1746 | Nc1ccc(CC(=O)O)cc1 | 3 | 4 |
| mol1747 | C1CCCNCCC1 | 2 | 2 |
| mol1748 | C/C=C/C(=O)O | 2 | 2 |
| mol1749 | CCCC[P@@H](=O)O | 2 | 2 |
| mol1750 | CC[C@H](Cl)C(=O)O | 2 | 2 |
| mol1751 | C[C@@H](Cl)CC(=O)O | 2 | 2 |
| mol1752 | O=C(O)CCCCl | 2 | 2 |
| mol1753 | C/C=C(\Cl)C(=O)O | 2 | 2 |
| mol1754 | O=C(O)[C@H](O)CCl | 2 | 2 |
| mol1755 | C[C@H](Oc1ccc(Cl)cc1)C(=O)O | 2 | 2 |
| mol1756 | Cc1c(N)cccc1Cl | 2 | 2 |
| mol1757 | Cc1ccc(Cl)cc1N | 2 | 2 |
| mol1758 | Cc1cccc(Cl)c1N | 2 | 2 |
| mol1759 | O=C(O)C(Br)Br | 2 | 2 |
| mol1760 | CC(Br)(Br)C(=O)O | 2 | 2 |