| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4581 | Nc1ccc2[nH]ncc2c1 | 3 | 4 |
| mol4582 | Nc1ccc2cn[nH]c2c1 | 4 | 5 |
| mol4583 | Nc1cccc2cn[nH]c12 | 2 | 3 |
| mol4584 | c1cnc2cccnc2c1 | 3 | 3 |
| mol4585 | c1cnc2ccncc2c1 | 3 | 4 |
| mol4586 | O=[N+]([O-])c1cnc2ccncc2c1 | 2 | 3 |
| mol4587 | c1cnc2cnccc2c1 | 3 | 4 |
| mol4588 | c1cnc2ncccc2c1 | 3 | 3 |
| mol4589 | c1ccc2cnncc2c1 | 2 | 2 |
| mol4590 | Nc1nncc2ccccc12 | 2 | 4 |
| mol4591 | Cn1ncc2ccccc2c1=O | 0 | 0 |
| mol4592 | Cn1ncc2ccccc2c1=S | 0 | 0 |
| mol4593 | Sc1nncc2ccccc12 | 4 | 5 |
| mol4594 | COc1nncc2ccccc12 | 2 | 3 |
| mol4595 | Cc1nncc2ccccc12 | 2 | 3 |
| mol4596 | CSc1nncc2ccccc12 | 2 | 3 |
| mol4597 | c1ccc(-c2nncc3ccccc23)cc1 | 0 | 0 |
| mol4598 | COc1cc(=O)n2ccccc2n1 | 0 | 0 |
| mol4599 | c1ccc2ncncc2c1 | 3 | 4 |
| mol4600 | Nc1ncc2ccccc2n1 | 2 | 4 |