| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4681 | COc1ccc2c(c1)NCCN2 | 3 | 4 |
| mol4682 | Cc1ccc2c(c1)NCCN2 | 3 | 4 |
| mol4683 | C1CN2CCN1CC2 | 3 | 3 |
| mol4684 | c1ccc2[nH]nnc2c1 | 3 | 4 |
| mol4685 | c1cnc2nc[nH]c2c1 | 3 | 4 |
| mol4686 | c1cc2[nH]cnc2cn1 | 3 | 4 |
| mol4687 | c1ccc2nncnc2c1 | 2 | 4 |
| mol4688 | Oc1ncnc2cccnc12 | 3 | 5 |
| mol4689 | c1cnc2nccnc2c1 | 2 | 4 |
| mol4690 | OC1=Nc2cccnc2NC1 | 4 | 6 |
| mol4691 | Oc1nc2cccnc2nc1O | 4 | 6 |
| mol4692 | Oc1cnc2cccnc2n1 | 3 | 5 |
| mol4693 | Oc1ccnc2nccnc12 | 3 | 5 |
| mol4694 | c1cc2nccnc2cn1 | 2 | 4 |
| mol4695 | OC1=Nc2cnccc2NC1 | 3 | 3 |
| mol4696 | CC1Nc2ccncc2N=C1O | 3 | 3 |
| mol4697 | Oc1nc2ccncc2nc1O | 4 | 6 |
| mol4698 | Oc1cnc2cnccc2n1 | 3 | 5 |
| mol4699 | Oc1nccc2nccnc12 | 4 | 7 |
| mol4700 | c1cnc2ncncc2n1 | 2 | 5 |