| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4281 | OCCNc1nc(NCCO)nc(NCCO)n1 | 2 | 3 |
| mol4282 | OCNc1nc(NCO)nc(NCO)n1 | 3 | 4 |
| mol4283 | OCCCNc1nc(NCCCO)nc(NCCCO)n1 | 2 | 3 |
| mol4284 | COCNc1nc(NCOC)nc(NCOC)n1 | 2 | 3 |
| mol4285 | c1c[nH]nn1 | 3 | 4 |
| mol4286 | Cn1ccnn1 | 2 | 3 |
| mol4287 | Cn1nccn1 | 2 | 2 |
| mol4288 | c1nc[nH]n1 | 3 | 4 |
| mol4289 | CCc1n[nH]c(CC)n1 | 3 | 4 |
| mol4290 | Cc1n[nH]c(C)n1 | 2 | 3 |
| mol4291 | O=[N+]([O-])Nc1nnc[nH]1 | 4 | 4 |
| mol4292 | c1nncnn1 | 2 | 2 |
| mol4293 | CCC1=NNC(CC)=NN1 | 2 | 2 |
| mol4294 | C1=NNC=NN1 | 2 | 2 |
| mol4295 | CC1=NNC(C)=NN1 | 2 | 2 |
| mol4296 | Nc1nnn[nH]1 | 3 | 6 |
| mol4297 | Nc1nnnn1Cc1ccccc1 | 2 | 5 |
| mol4298 | Nc1nnnn1-c1cccc(Cl)c1 | 2 | 3 |
| mol4299 | Nc1nnnn1-c1ccc(Cl)cc1 | 2 | 3 |
| mol4300 | CC(C)n1nnnc1N | 2 | 5 |