| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6101 | CC(N)c1ccc([N+](=O)[O-])cc1 | 2 | 2 |
| mol6102 | CCCc1ccc(C(C)N)cc1 | 2 | 2 |
| mol6103 | CC(N)c1cccc(C(F)(F)F)c1 | 2 | 2 |
| mol6104 | CCCCCC(N)c1ccccc1 | 2 | 2 |
| mol6105 | NCC(O)c1ccc(Cl)c(Cl)c1 | 2 | 2 |
| mol6106 | COc1ccc(C(O)CN)cc1OC | 2 | 2 |
| mol6107 | NCC(O)c1ccccc1O | 2 | 3 |
| mol6108 | COc1cc(C(O)CN)ccc1O | 2 | 3 |
| mol6109 | COc1cccc(OC)c1CC(N)CO | 2 | 2 |
| mol6110 | CC(C)CC(N)c1ccccc1 | 2 | 2 |
| mol6111 | CC(C)CC(N)c1ccc(Cl)cc1 | 2 | 2 |
| mol6112 | CC(C)CC(N)c1ccc(F)cc1 | 2 | 2 |
| mol6113 | CC(C)CCC(N)c1ccccc1 | 2 | 2 |
| mol6114 | CC(C)C(N)c1ccccc1 | 2 | 2 |
| mol6115 | CCCCC(N)c1ccccc1 | 2 | 2 |
| mol6116 | CCCCC(N)c1ccc(Cl)cc1 | 2 | 2 |
| mol6117 | CCCCC(N)c1ccc(F)cc1 | 2 | 2 |
| mol6118 | CCC(N)c1ccccc1 | 2 | 2 |
| mol6119 | CCC(N)c1cccc(Br)c1 | 2 | 2 |
| mol6120 | CCC(N)c1ccc(Br)cc1 | 2 | 2 |