| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12981 | Cc1cc(O)n(C)c(=O)n1 | 2 | 2 |
| mol12982 | Cc1csc(S(N)(=O)=O)n1 | 2 | 2 |
| mol12983 | CC(=O)N1CCN(C)CC1 | 2 | 2 |
| mol12984 | Cc1[nH]nc(O)c1C(C)C | 2 | 2 |
| mol12985 | C=CCc1c(O)n[nH]c1C | 2 | 2 |
| mol12986 | CCCc1c(O)n[nH]c1C | 2 | 2 |
| mol12987 | CC(C)(C)c1cc(O)[nH]n1 | 2 | 2 |
| mol12988 | CCc1c(C)nn(C)c1O | 2 | 2 |
| mol12989 | CNC(=O)c1ccncc1 | 2 | 2 |
| mol12990 | NC(=O)Cc1ccncc1 | 2 | 2 |
| mol12991 | CNC(=O)c1ccccn1 | 2 | 2 |
| mol12992 | CNC(=O)C1CCCCN1 | 2 | 2 |
| mol12993 | NC(=O)Cc1ccccn1 | 2 | 2 |
| mol12994 | NC(=O)Cc1cccnc1 | 2 | 2 |
| mol12995 | Cc1cccc(/C=N/O)n1 | 2 | 2 |
| mol12996 | Cc1cccnc1/C=N/O | 2 | 2 |
| mol12997 | COCCc1nc(C)c[nH]1 | 2 | 2 |
| mol12998 | CCCn1ccnc1C=O | 2 | 2 |
| mol12999 | CCCn1ccnc1CO | 2 | 2 |
| mol13000 | CC(=O)[n+]1ccc(N)cc1 | 0 | 0 |