| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol7021 | CNc1cc(Cl)nc(N)n1 | 2 | 5 |
| mol7022 | CNc1nc(Cl)nc(C)c1N | 2 | 5 |
| mol7023 | Nc1ncc(-c2ccc(Cl)cc2)cn1 | 2 | 3 |
| mol7024 | N#Cc1cnc(N)nc1 | 2 | 3 |
| mol7025 | N#Cc1cncnc1N | 2 | 4 |
| mol7026 | Cc1nc(N)nc(C)c1C#N | 2 | 3 |
| mol7027 | Cc1nc(N)ncc1C#N | 2 | 4 |
| mol7028 | Cc1ncc(C#N)c(N)n1 | 2 | 4 |
| mol7029 | Cn1cnc(=O)c(NCC#N)c1N | 2 | 4 |
| mol7030 | CCN(CC)c1c(N)ncnc1O | 3 | 6 |
| mol7031 | Cn1cnc(N)c([N+](=O)[O-])c1=N | 0 | 0 |
| mol7032 | CNc1nc(N)n(C)c(=O)c1[N+](=O)[O-] | 2 | 4 |
| mol7033 | Cn1c(N)nccc1=S | 2 | 3 |
| mol7034 | Nc1nc(O)cc(O)n1 | 3 | 4 |
| mol7035 | Nc1cc(O)nc(O)n1 | 4 | 7 |
| mol7036 | Nc1cnc(O)nc1O | 3 | 6 |
| mol7037 | Nc1c(O)nc(O)nc1NCCO | 2 | 4 |
| mol7038 | Cc1c(N)nc(O)nc1O | 3 | 6 |
| mol7039 | COc1cc(N)nc(OC)n1 | 2 | 4 |
| mol7040 | Cc1cc(N)nc(C)n1 | 3 | 5 |