| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4401 | CCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12 | 4 | 6 |
| mol4402 | CCN(CC)CCCNc1ccnc2ccccc12 | 3 | 6 |
| mol4403 | Cn1ccc(=N)c2ccccc21 | 2 | 2 |
| mol4404 | Cn1c(=O)ccc2ccccc21 | 2 | 2 |
| mol4405 | Cn1ccc(=O)c2ccccc21 | 2 | 2 |
| mol4406 | Cn1cccc2c(=O)cccc1-2 | 2 | 2 |
| mol4407 | Cn1cccc2ccc(=O)cc1-2 | 2 | 2 |
| mol4408 | Cn1c(=S)ccc2ccccc21 | 2 | 2 |
| mol4409 | Cn1ccc(=S)c2ccccc21 | 2 | 2 |
| mol4410 | Oc1cc(O)c2ccccc2n1 | 3 | 4 |
| mol4411 | Cc1cc2ccccc2nc1C | 2 | 2 |
| mol4412 | Cc1cc(C)c2ccccc2n1 | 2 | 2 |
| mol4413 | Cc1ccc2nc(C)ccc2c1 | 2 | 2 |
| mol4414 | Cc1ccc2ccc(C)nc2c1 | 2 | 2 |
| mol4415 | Cc1ccc2cccc(C)c2n1 | 2 | 2 |
| mol4416 | Fc1cnc2ccccc2c1 | 2 | 2 |
| mol4417 | Fc1cccc2ncccc12 | 2 | 2 |
| mol4418 | Fc1ccc2ncccc2c1 | 2 | 2 |
| mol4419 | Fc1ccc2cccnc2c1 | 2 | 2 |
| mol4420 | Fc1cccc2cccnc12 | 2 | 2 |