| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol3801 | CC[N+](C)(C)Cc1ccccn1 | 2 | 2 |
| mol3802 | CNc1cccc[n+]1OC | 0 | 0 |
| mol3803 | C[N+]1(Cc2cccnc2)CCCCC1 | 2 | 2 |
| mol3804 | C[N+]1(Cc2cccnc2)CCCC1 | 2 | 2 |
| mol3805 | CCC(=O)N[n+]1cc([O-])c(C)c(-c2ccccc2)c1 | 0 | 0 |
| mol3806 | C[N+](C)(C)CCc1ccccn1 | 2 | 2 |
| mol3807 | C[N+](C)(C)CCc1cccnc1 | 2 | 2 |
| mol3808 | C[N+](C)(C)Cc1ccccn1 | 2 | 2 |
| mol3809 | C[N+](C)(C)Cc1cccnc1 | 2 | 2 |
| mol3810 | C[N+](C)(C)Cc1ccncc1 | 2 | 2 |
| mol3811 | ON=Cc1ccccn1 | 3 | 4 |
| mol3812 | CCCON=Cc1ccccn1 | 2 | 3 |
| mol3813 | O/N=C/c1cccnc1 | 3 | 4 |
| mol3814 | CCCON=Cc1cccnc1 | 2 | 3 |
| mol3815 | ON=Cc1ccncc1 | 3 | 4 |
| mol3816 | CCCON=Cc1ccncc1 | 2 | 3 |
| mol3817 | [O-][n+]1ccccc1 | 0 | 0 |
| mol3818 | CC(=O)Nc1cccc[n+]1[O-] | 0 | 0 |
| mol3819 | CC(=O)Nc1ccc[n+]([O-])c1 | 2 | 2 |
| mol3820 | CC(=O)Nc1cc[n+]([O-])cc1 | 2 | 2 |