| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12841 | c1ccc(Nc2nnn[nH]2)cc1 | 2 | 2 |
| mol12842 | Nc1ccc(-c2nnn[nH]2)cc1 | 2 | 2 |
| mol12843 | NC(c1ncc[nH]1)c1ncc[nH]1 | 3 | 5 |
| mol12844 | CSc1nc(N)c2[nH]cnc2n1 | 3 | 6 |
| mol12845 | NC1=NS(=O)(=O)Nc2nc[nH]c21 | 4 | 6 |
| mol12846 | Cn1c(N)nc2nc[nH]c2c1=O | 3 | 5 |
| mol12847 | Cn1c(N)nc(=O)c2[nH]cnc21 | 2 | 4 |
| mol12848 | COc1nc(N)c2[nH]cnc2n1 | 3 | 6 |
| mol12849 | Cn1ccnc1-c1ccccn1 | 3 | 4 |
| mol12850 | Cc1ccn(-c2ccccn2)n1 | 3 | 4 |
| mol12851 | Cn1c(=NN)sc2ccccc21 | 2 | 3 |
| mol12852 | Cn1c2c(sc1=NN)CCCC2 | 2 | 3 |
| mol12853 | COc1ccc2c(c1)nnn2O | 2 | 2 |
| mol12854 | O=C(O)C1Cc2[nH]cnc2CN1 | 3 | 4 |
| mol12855 | O=S1(=O)N=CNc2ccncc21 | 2 | 2 |
| mol12856 | O=S1(=O)N=CNc2ncccc21 | 2 | 2 |
| mol12857 | O=S1(=O)N=CNc2cccnc21 | 2 | 2 |
| mol12858 | Cc1cc2nnn(O)c2cc1Cl | 2 | 2 |
| mol12859 | Cc1c(Cl)ccc2c1nnn2O | 2 | 2 |
| mol12860 | [N-]=[N+]=Nc1ncnc2nc[nH]c12 | 2 | 0 |