| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol941 | CCCCC[C@@H](C)NC | 2 | 2 |
| mol942 | CCCCCCCCN | 2 | 2 |
| mol943 | CCCCCC[C@@H](C)N | 2 | 2 |
| mol944 | C/C(=N\O)C(C)(C)CCCCCN | 2 | 3 |
| mol945 | CCCCC[C@H](O)C(C)(C)N | 2 | 2 |
| mol946 | CCCCCCCCN(C[C@@H](C)O)C[C@@H](C)O | 2 | 2 |
| mol947 | CCCCCCCCNCCCCCCCC | 2 | 2 |
| mol948 | CCCCCCCCCN | 2 | 2 |
| mol949 | CCCCCCCCCCN | 2 | 2 |
| mol950 | CCCCCCCCCCCN | 2 | 2 |
| mol951 | CCCCCCCCCCCCN | 2 | 2 |
| mol952 | N=C1CCCC1 | 2 | 2 |
| mol953 | NC1CCCCC1 | 2 | 2 |
| mol954 | N[C@H]1CCCC[C@@H]1Cl | 2 | 2 |
| mol955 | N[C@@H]1CCCC[C@H]1O | 2 | 2 |
| mol956 | C[C@H]1CCC[C@@H](O)[C@@H]1N | 2 | 2 |
| mol957 | CC1CCC(N)CC1 | 2 | 2 |
| mol958 | CCCOc1ccc(C(=O)O)cc1 | 2 | 2 |
| mol959 | C[C@@H](N)CC1CCCCC1 | 2 | 2 |
| mol960 | CN[C@H]1CCCC[C@@H]1Cl | 2 | 2 |