| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol28001 | N=C(N)NN=O | 5 | 7 |
| mol28002 | CNCCC(=N)N | 3 | 4 |
| mol28003 | CNC(=N)CCN | 3 | 4 |
| mol28004 | CC(C)C(=N)NO | 2 | 5 |
| mol28005 | CNC1=NCCN1C | 0 | 0 |
| mol28006 | CN(C)C(=N)CCN | 3 | 4 |
| mol28007 | CNC1=NCCS1 | 0 | 0 |
| mol28008 | CCC(C)(O)C(=N)N | 2 | 2 |
| mol28009 | N=C(NN)N[N+](=O)[O-] | 2 | 2 |
| mol28010 | N=C(N)SCCN | 2 | 3 |
| mol28011 | C/N=C(\N)S(=O)O | 2 | 2 |
| mol28012 | C1CN=C2CCCN2C1 | 2 | 2 |
| mol28013 | N=C1NCCNC(=N)N1 | 4 | 6 |
| mol28014 | CCCNC1=NCCN1 | 0 | 0 |
| mol28015 | CNC1=NCCCS1 | 0 | 0 |
| mol28016 | N=C(N)NCCCCN | 4 | 7 |
| mol28017 | N=C(NC=O)N[N+](=O)[O-] | 2 | 3 |
| mol28018 | CN(N)C(=N)N[N+](=O)[O-] | 2 | 3 |
| mol28019 | N=C(N)SCCCN | 2 | 3 |
| mol28020 | N=C(N)c1ccc(O)cc1 | 3 | 4 |