| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol5021 | c1ccc2c(c1)ccc1ncccc12 | 2 | 2 |
| mol5022 | Nc1cccc2c1ccc1ncccc12 | 2 | 3 |
| mol5023 | Nc1cccc2ccc3ncccc3c12 | 2 | 3 |
| mol5024 | Cc1cc(N)nc2ccc3ccccc3c12 | 2 | 3 |
| mol5025 | c1ccc2cc3ncccc3cc2c1 | 2 | 2 |
| mol5026 | Nc1cnc2cc3ccccc3cc2c1 | 2 | 3 |
| mol5027 | c1ccc2c(c1)ccc1cccnc12 | 2 | 2 |
| mol5028 | Cc1cc(N)nc2c1ccc1ccccc12 | 2 | 3 |
| mol5029 | c1ccc2c(c1)C1CCN2CC1 | 0 | 0 |
| mol5030 | COc1cccc2c1NC1CCCCC21 | 2 | 2 |
| mol5031 | CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12 | 2 | 2 |
| mol5032 | CN1CCC2C(=C(c3ccccc3)c3ccccc32)C1 | 2 | 2 |
| mol5033 | c1ccc2c(c1)cnc1ccccc12 | 2 | 2 |
| mol5034 | Nc1nc2ccccc2c2ccccc12 | 2 | 3 |
| mol5035 | Nc1ccc2cnc3ccccc3c2c1 | 2 | 3 |
| mol5036 | Oc1ccc2c(c1)ncc1ccccc12 | 3 | 4 |
| mol5037 | Oc1nc2ccccc2c2ccccc12 | 2 | 2 |
| mol5038 | Oc1ccc2c(cnc3ccccc32)c1 | 3 | 3 |
| mol5039 | Oc1ccc2cnc3ccccc3c2c1 | 3 | 4 |
| mol5040 | COc1nc2ccccc2c2ccccc12 | 2 | 2 |