| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4621 | CC1=Nc2ccccc2CN1 | 2 | 2 |
| mol4622 | CN1C=Nc2ccccc2C1 | 2 | 2 |
| mol4623 | CC1NC=Nc2ccccc21 | 3 | 3 |
| mol4624 | Cn1cnc(=O)c2ccccc21 | 2 | 2 |
| mol4625 | Cn1cc2ccccc2nc1=O | 0 | 0 |
| mol4626 | Cn1cnc2ccccc2c1=O | 0 | 0 |
| mol4627 | Cn1cnc(=S)c2ccccc21 | 2 | 2 |
| mol4628 | Cn1cnc2ccccc2c1=S | 0 | 0 |
| mol4629 | Oc1nc(O)c2ccccc2n1 | 3 | 5 |
| mol4630 | Cc1nc(C)c2ccccc2n1 | 2 | 3 |
| mol4631 | Sc1ncc2ccccc2n1 | 3 | 4 |
| mol4632 | Sc1ncnc2ccccc12 | 3 | 4 |
| mol4633 | COc1ncc2ccccc2n1 | 2 | 3 |
| mol4634 | COc1ncnc2ccccc12 | 2 | 3 |
| mol4635 | COc1cccc2ncncc12 | 2 | 3 |
| mol4636 | COc1ccc2ncncc2c1 | 2 | 3 |
| mol4637 | COc1ccc2cncnc2c1 | 2 | 3 |
| mol4638 | COc1cccc2cncnc12 | 2 | 3 |
| mol4639 | Cc1ncc2ccccc2n1 | 2 | 3 |
| mol4640 | Cc1ncnc2ccccc12 | 3 | 4 |