| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol1861 | C=C[C@@H](Cl)C(=O)O | 2 | 2 |
| mol1862 | C[C@H](O)C(=O)O | 2 | 2 |
| mol1863 | O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1O | 2 | 2 |
| mol1864 | CCN(CCO)C[C@@H](C)O | 2 | 2 |
| mol1865 | CSc1cccc(O)c1 | 2 | 2 |
| mol1866 | CC(=O)C(=O)O | 3 | 3 |
| mol1867 | Cc1ccc(CCC(=O)O)cc1 | 2 | 2 |
| mol1868 | CCN(CC)CCC#N | 2 | 2 |
| mol1869 | Oc1ccccc1-c1ccccc1 | 2 | 2 |
| mol1870 | C=CCNc1ccccc1 | 2 | 2 |
| mol1871 | CC#CC(=O)O | 2 | 2 |
| mol1872 | CC(=O)c1cccc(O)c1 | 2 | 2 |
| mol1873 | O=C(O)Cc1ccc(F)cc1 | 2 | 2 |
| mol1874 | O=C(O)/C=C/Cl | 2 | 2 |
| mol1875 | CNCCCc1ccccc1 | 2 | 2 |
| mol1876 | N#CCC(=O)O | 2 | 2 |
| mol1877 | C[S@](=O)O | 2 | 2 |
| mol1878 | CN[C@H](C)Cc1ccccc1 | 2 | 2 |
| mol1879 | Cc1ccc2cccc(O)c2n1 | 3 | 4 |
| mol1880 | NCC(Cl)(Cl)CCl | 2 | 2 |