| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol16021 | CN[C@H]1C[C@H]1NC | 0 | 0 |
| mol16022 | CN[C@H]1C[C@@H]1NC | 2 | 2 |
| mol16023 | CC1NCCCN1 | 3 | 3 |
| mol16024 | Cc1nccn1C | 2 | 2 |
| mol16025 | Nc1ncc(Cl)s1 | 2 | 3 |
| mol16026 | Nc1ncc(Br)s1 | 2 | 3 |
| mol16027 | Cn1cc(Cl)cn1 | 2 | 2 |
| mol16028 | SCc1ncc[nH]1 | 3 | 4 |
| mol16029 | Cc1cnc(N)s1 | 2 | 3 |
| mol16030 | SCc1c[nH]cn1 | 3 | 4 |
| mol16031 | C[n+]1ccsc1N | 2 | 2 |
| mol16032 | NC1CONC1=O | 3 | 3 |
| mol16033 | Cc1cc(O)n[nH]1 | 3 | 4 |
| mol16034 | CC1CCCNC1 | 2 | 2 |
| mol16035 | CC1=NCCCC1 | 2 | 2 |
| mol16036 | CCC1=NCCC1 | 2 | 2 |
| mol16037 | O=C(O)C1CCN1 | 3 | 3 |
| mol16038 | N[C@H]1CCC[C@@H]1O | 2 | 2 |
| mol16039 | O[n+]1ccccc1 | 2 | 2 |
| mol16040 | O=C1COC(=O)N1 | 2 | 3 |