| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol1341 | Cn1cc(Br)c(O)nc1=O | 0 | 0 |
| mol1342 | CNc1ncc(Br)cn1 | 2 | 3 |
| mol1343 | CCCCNc1ncccn1 | 2 | 3 |
| mol1344 | O=C(O)c1ncccn1 | 3 | 3 |
| mol1345 | CNc1nccc(Cl)n1 | 2 | 4 |
| mol1346 | Cn1ccc(O)nc1=O | 2 | 2 |
| mol1347 | COC(=O)[C@H](CC(=O)O)c1ccccc1 | 2 | 2 |
| mol1348 | CN(C)c1cc(O)ncn1 | 3 | 5 |
| mol1349 | COC(=O)C[C@@H](C(=O)O)c1ccccc1 | 2 | 2 |
| mol1350 | CNc1nc(C)cc(C)n1 | 2 | 3 |
| mol1351 | CCOc1ccnc(O)n1 | 2 | 2 |
| mol1352 | CCNc1ncccn1 | 2 | 3 |
| mol1353 | Oc1cncnc1 | 3 | 3 |
| mol1354 | COc1cncnc1O | 3 | 4 |
| mol1355 | COc1nc(C)cc(O)n1 | 3 | 4 |
| mol1356 | Cc1cc(O)ncn1 | 3 | 4 |
| mol1357 | CNc1nccc(OC)n1 | 2 | 4 |
| mol1358 | CNc1ncccn1 | 2 | 3 |
| mol1359 | CCCCCNc1ncccn1 | 2 | 3 |
| mol1360 | Cc1ccccc1O | 2 | 2 |