| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol1581 | C/C=C(\C)N1CCCCC1 | 2 | 2 |
| mol1582 | CN1CC(C)(C)CC(C)(C)C1 | 2 | 2 |
| mol1583 | CC1(C)CNCC(C)(C)C1 | 2 | 2 |
| mol1584 | C[C@H]1CCN(C)[C@@H](C)C1 | 2 | 2 |
| mol1585 | C[C@@H]1C[C@H](C)CN(C)C1 | 2 | 2 |
| mol1586 | Nc1cccc(Br)n1 | 2 | 3 |
| mol1587 | Nc1cc(Cl)ccn1 | 2 | 3 |
| mol1588 | N#Cc1ccc(N)nc1 | 2 | 3 |
| mol1589 | CCOC(=O)c1cccnc1N | 2 | 3 |
| mol1590 | CCOC(=O)c1ccnc(N)c1 | 2 | 3 |
| mol1591 | Nc1cnccc1O | 4 | 6 |
| mol1592 | COc1cccc(N)n1 | 2 | 3 |
| mol1593 | COC(=O)c1cccnc1N | 2 | 3 |
| mol1594 | COC(=O)c1ccnc(N)c1 | 2 | 3 |
| mol1595 | Cc1cc([N+](=O)[O-])cnc1N | 2 | 3 |
| mol1596 | Cc1cnc(N)c([N+](=O)[O-])c1 | 2 | 3 |
| mol1597 | Nc1ncccc1[N+](=O)[O-] | 2 | 3 |
| mol1598 | CC(C)CN1CCOCC1 | 2 | 2 |
| mol1599 | CCCCCN1CCOCC1 | 2 | 2 |
| mol1600 | O=C(O)c1ncc(-c2ccc(Cl)cc2)o1 | 2 | 2 |