| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol201 | FC1CCNCC1 | 2 | 2 |
| mol202 | FC1CCCNC1 | 2 | 2 |
| mol203 | CN(C)CCCO | 2 | 2 |
| mol204 | COCCN(C)C | 2 | 2 |
| mol205 | C1CSCCN1 | 2 | 2 |
| mol206 | FC1(F)CCNC1 | 2 | 2 |
| mol207 | CN(C)CCCC#N | 2 | 2 |
| mol208 | NCCC(F)(F)F | 2 | 2 |
| mol209 | CNCC(F)(F)F | 2 | 2 |
| mol210 | CN1CCCCCC1 | 2 | 2 |
| mol211 | N#CC1CC(F)CN1 | 2 | 2 |
| mol212 | CC(=O)CCN(C)C | 2 | 2 |
| mol213 | CCOC(=O)CCN | 2 | 2 |
| mol214 | COCCCN(C)C | 2 | 2 |
| mol215 | FC1(F)CCNCC1 | 2 | 2 |
| mol216 | FC1(F)CCCNC1 | 2 | 2 |
| mol217 | CC1CCN2CCCC12 | 2 | 2 |
| mol218 | CN(C)CCCCC#N | 2 | 2 |
| mol219 | NCCCC(F)(F)F | 2 | 2 |
| mol220 | CN(C)CC(F)(F)F | 2 | 2 |