| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol7201 | CC(C)(C)n1cccnc1=O | 2 | 2 |
| mol7202 | CCCCc1c(O)ncnc1O | 3 | 3 |
| mol7203 | CC(C)(C)c1ccnc(O)n1 | 3 | 4 |
| mol7204 | CCCCc1nc(O)cc(S)n1 | 5 | 7 |
| mol7205 | CCCCc1c(O)ncnc1S | 4 | 6 |
| mol7206 | CCCCc1nc(O)cc(SC)n1 | 3 | 4 |
| mol7207 | CCCCc1c(O)ncnc1SC | 3 | 4 |
| mol7208 | CCCCN=c1ncccn1C | 2 | 3 |
| mol7209 | Cc1nc(=O)n(C)cc1C(N)=O | 0 | 0 |
| mol7210 | Cc1nc(=N)n(C)cc1C(N)=O | 2 | 3 |
| mol7211 | Cn1cc(C(N)=O)cnc1=N | 2 | 3 |
| mol7212 | Cc1nc(=N)n(C)c(C)c1C(N)=O | 0 | 0 |
| mol7213 | Cc1ncc(C(N)=O)c(N(C)C)n1 | 2 | 4 |
| mol7214 | CNc1nc(C)c(C(N)=O)c(C)n1 | 2 | 3 |
| mol7215 | CNc1ncc(C(N)=O)c(C)n1 | 2 | 4 |
| mol7216 | Cc1ncc(C(=O)O)c(N(C)C)n1 | 0 | 0 |
| mol7217 | Cc1cc(C)n(OCC(=O)O)c(=O)n1 | 3 | 4 |
| mol7218 | CN(C)c1cc(Cl)nc(N(C)C)n1 | 2 | 5 |
| mol7219 | OCCN(CCO)c1ccnc(Cl)n1 | 2 | 4 |
| mol7220 | CNc1cc(Cl)nc(NC)n1 | 2 | 5 |