| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4321 | c1ccc2cnccc2c1 | 2 | 2 |
| mol4322 | Nc1cncc2ccccc12 | 3 | 4 |
| mol4323 | Nc1cccc2cnccc12 | 3 | 4 |
| mol4324 | Nc1ccc2cnccc2c1 | 3 | 4 |
| mol4325 | Nc1ccc2ccncc2c1 | 3 | 4 |
| mol4326 | Nc1cccc2ccncc12 | 3 | 4 |
| mol4327 | Brc1cncc2ccccc12 | 2 | 2 |
| mol4328 | Cn1ccc2ccccc2c1=O | 2 | 2 |
| mol4329 | Cn1ccc2cc(=O)ccc-2c1 | 2 | 2 |
| mol4330 | Cn1ccc2cccc(=O)c-2c1 | 2 | 2 |
| mol4331 | Oc1nccc2ccccc12 | 2 | 2 |
| mol4332 | Sc1nccc2ccccc12 | 3 | 3 |
| mol4333 | Sc1cc2ccccc2cn1 | 3 | 3 |
| mol4334 | CN1C=Cc2ccccc2C1S | 0 | 0 |
| mol4335 | COc1nccc2ccccc12 | 2 | 2 |
| mol4336 | Cc1cc2ccccc2cn1 | 2 | 2 |
| mol4337 | CSc1nccc2ccccc12 | 2 | 2 |
| mol4338 | CSc1cc2ccccc2cn1 | 2 | 2 |
| mol4339 | O=[N+]([O-])c1cncc2ccccc12 | 2 | 2 |
| mol4340 | O=[N+]([O-])c1cccc2cnccc12 | 2 | 2 |