| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12961 | NCCCc1cccnc1 | 3 | 3 |
| mol12962 | NCCCc1ccccn1 | 3 | 3 |
| mol12963 | CN(C)[C@H]1CCC[C@@H]1C#N | 2 | 2 |
| mol12964 | CCCCCn1ccnc1 | 2 | 2 |
| mol12965 | NCc1ccc(Cl)c(N)c1 | 3 | 3 |
| mol12966 | NC(=S)C1(N)CCCCC1 | 2 | 2 |
| mol12967 | NCc1cc(N)cc(Cl)c1 | 3 | 3 |
| mol12968 | C1CNCCSCCNC1 | 2 | 2 |
| mol12969 | CCCCSC1=NCCN1 | 2 | 2 |
| mol12970 | Cc1cc(C(F)(F)F)n[nH]1 | 3 | 3 |
| mol12971 | O=C1CS(=O)(=O)NC(=O)N1 | 3 | 5 |
| mol12972 | ON=C1CCCC/C1=N\O | 2 | 2 |
| mol12973 | O=[N+]([O-])Nc1ccccc1 | 2 | 2 |
| mol12974 | Cn1cc(N)cc1C(=O)O | 3 | 3 |
| mol12975 | Nc1ccncc1C(=O)O | 2 | 3 |
| mol12976 | O=C(O)/C=C\c1c[nH]cn1 | 3 | 3 |
| mol12977 | O=C(O)/C=C/c1c[nH]cn1 | 4 | 4 |
| mol12978 | O=C(O)CCc1c[nH]cn1 | 3 | 3 |
| mol12979 | CCOc1nccc(O)n1 | 3 | 4 |
| mol12980 | Cc1cc(O)nc(=O)n1C | 2 | 2 |