| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4561 | Nc1cc2ccc(Cl)cc2nn1 | 2 | 4 |
| mol4562 | CN1C=C(O)c2ccccc2N1 | 0 | 0 |
| mol4563 | CN1C=C(S)c2ccccc2N1 | 0 | 0 |
| mol4564 | Sc1cnnc2ccccc12 | 3 | 5 |
| mol4565 | COc1cnnc2ccccc12 | 2 | 3 |
| mol4566 | CSc1cnnc2ccccc12 | 2 | 3 |
| mol4567 | c1cc2c(nn1)CCCC2 | 2 | 3 |
| mol4568 | Cc1nnc2c(c1C)CCCC2 | 2 | 3 |
| mol4569 | Cc1cc2c(nn1)CCCC2 | 2 | 3 |
| mol4570 | Cc1cc2c(nn1)CCCCC2 | 2 | 3 |
| mol4571 | c1cc2c(nn1)CCC2 | 2 | 3 |
| mol4572 | Cc1nnc2c(c1C)CCC2 | 2 | 3 |
| mol4573 | Cc1cc2c(nn1)CCC2 | 2 | 3 |
| mol4574 | c1cnc2cc[nH]c2c1 | 2 | 2 |
| mol4575 | c1cc2[nH]ccc2cn1 | 2 | 2 |
| mol4576 | c1cc2cc[nH]c2cn1 | 2 | 2 |
| mol4577 | C1CN2CCCN2C1 | 2 | 2 |
| mol4578 | c1ccc2[nH]ncc2c1 | 3 | 3 |
| mol4579 | Nc1n[nH]c2ccccc12 | 2 | 3 |
| mol4580 | Nc1cccc2[nH]ncc12 | 2 | 3 |