| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol861 | CC(=O)OCCN | 2 | 2 |
| mol862 | CN(C)CCN(C)C | 3 | 3 |
| mol863 | CN(C)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1 | 2 | 2 |
| mol864 | ClCCN(CCCl)CCCl | 2 | 2 |
| mol865 | CCN(CC)CCCl | 2 | 2 |
| mol866 | CN(CCO)CCCl | 2 | 2 |
| mol867 | CCNCCC(=O)C(c1ccccc1)c1ccccc1 | 2 | 2 |
| mol868 | CCNCC | 2 | 2 |
| mol869 | OCCN(CCO)CCO | 2 | 2 |
| mol870 | OCCNCCO | 2 | 2 |
| mol871 | CN(CCO)CCO | 2 | 2 |
| mol872 | O=C(O)c1ccc(Br)cc1 | 2 | 2 |
| mol873 | CCCN | 2 | 2 |
| mol874 | CC(C)N | 2 | 2 |
| mol875 | NCCCBr | 2 | 2 |
| mol876 | CC(N)(CO)CO | 2 | 2 |
| mol877 | CC(C)(C)CN | 2 | 2 |
| mol878 | NCCCO | 2 | 2 |
| mol879 | N#Cc1ccccc1C(=O)O | 2 | 2 |
| mol880 | C[C@H](N)CO | 2 | 2 |