| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol5821 | C[SH]=C(N)Nc1ccccc1 | 0 | 0 |
| mol5822 | NC(N)=O | 3 | 3 |
| mol5823 | C=CCOC(=N)N | 2 | 2 |
| mol5824 | CCCCOC(=N)N | 2 | 2 |
| mol5825 | N=C(N)OC1CCCCC1 | 2 | 2 |
| mol5826 | CC(C)COC(=N)N | 2 | 2 |
| mol5827 | CC(C)CCOC(=N)N | 2 | 2 |
| mol5828 | CNC(N)=O | 2 | 2 |
| mol5829 | COC(=N)N | 2 | 2 |
| mol5830 | N=C(N)OCCc1ccccc1 | 2 | 2 |
| mol5831 | NC(=O)Nc1ccccc1 | 4 | 5 |
| mol5832 | NCCNCCNCCNCCN | 6 | 15 |
| mol5833 | N=C(CCN)NO | 3 | 5 |
| mol5834 | CC[Si](C)(C)CN | 2 | 2 |
| mol5835 | C[Se]CCN | 2 | 2 |
| mol5836 | NCC[SeH] | 3 | 3 |
| mol5837 | OCCNCCNCCO | 3 | 3 |
| mol5838 | CNCCC#N | 2 | 2 |
| mol5839 | CCOP(=S)(OCC)OCCN(C)C | 2 | 2 |
| mol5840 | CCOP(=O)(CN(CC)CC)C(C)O | 2 | 2 |