| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol25781 | O=C(O)N1C=NN(C(=O)O)C=N1 | 2 | 2 |
| mol25782 | CNc1cc(Cl)[n+](C)c(N)n1 | 0 | 0 |
| mol25783 | CNc1nc(N)cc(Cl)[n+]1C | 0 | 0 |
| mol25784 | CN(C)/C=N/c1nccnc1C#N | 2 | 4 |
| mol25785 | Sc1nc(S)nc(S)n1 | 0 | 0 |
| mol25786 | C[n+]1cnc(O)c(NCC#N)c1N | 2 | 2 |
| mol25787 | CNc1nc(C)c(C)nc1C(=O)O | 2 | 4 |
| mol25788 | CC(C)(C)Nc1nc(N)nc(O)n1 | 3 | 8 |
| mol25789 | CCNc1nc(O)nc(NCC)n1 | 3 | 6 |
| mol25790 | Nc1cc(Nc2ccccc2)ncn1 | 0 | 0 |
| mol25791 | Nc1cnc(-c2ccccc2)nc1N | 2 | 5 |
| mol25792 | C[n+]1cc(Br)cnc1N | 0 | 0 |
| mol25793 | CN(C)c1cc(Cl)[n+](C)c(N)n1 | 0 | 0 |
| mol25794 | Nc1nc(N)nc(-c2ccccc2)n1 | 0 | 0 |
| mol25795 | C=CCNc1cc(NCC=C)ncn1 | 0 | 0 |
| mol25796 | Nc1cc(N2CCCCCC2)ncn1 | 0 | 0 |
| mol25797 | CCCCCCC[n+]1cccnc1N | 0 | 0 |
| mol25798 | Clc1cc(N2CCCCC2)ncn1 | 0 | 0 |
| mol25799 | CCNc1nc(O)nc(NC(C)C)n1 | 3 | 9 |
| mol25800 | CNc1nccc[n+]1Cc1ccccc1 | 0 | 0 |