| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol1281 | O=C(O)CCc1ccccc1[N+](=O)[O-] | 2 | 2 |
| mol1282 | O=C(O)/C=C/c1ccccc1[N+](=O)[O-] | 2 | 2 |
| mol1283 | c1ccc(CCN2CCCCC2)nc1 | 3 | 3 |
| mol1284 | c1cc(CCN2CCCCC2)ccn1 | 3 | 3 |
| mol1285 | c1cncc(CN2CCCCC2)c1 | 3 | 3 |
| mol1286 | c1cc(CN2CCCCC2)ccn1 | 3 | 3 |
| mol1287 | c1ccc([C@H]2CCCCN2)nc1 | 2 | 2 |
| mol1288 | c1ccc(CCN2CCCC2)nc1 | 3 | 3 |
| mol1289 | c1cncc(CCN2CCCC2)c1 | 3 | 3 |
| mol1290 | c1cc(CCN2CCCC2)ccn1 | 3 | 3 |
| mol1291 | c1ccc(CN2CCCC2)nc1 | 3 | 3 |
| mol1292 | c1cncc(CN2CCCC2)c1 | 3 | 3 |
| mol1293 | c1cc(CN2CCCC2)ccn1 | 3 | 3 |
| mol1294 | CC1=CCCCN1 | 2 | 2 |
| mol1295 | COc1ccc(CC(=O)O)cc1OC | 2 | 2 |
| mol1296 | O=C(O)c1cc[n+]([O-])cc1 | 3 | 3 |
| mol1297 | [O-][n+]1ccc(O)cc1 | 3 | 3 |
| mol1298 | COc1ccccc1/C=C/C(=O)O | 2 | 2 |
| mol1299 | c1ccc(CN2CCCC2)cc1 | 2 | 2 |
| mol1300 | c1ccc(C[C@@H]2CCCN2)cc1 | 2 | 2 |