| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol7801 | c1n[nH]c2c1CCC2 | 2 | 2 |
| mol7802 | c1ccn2ccnc2c1 | 2 | 2 |
| mol7803 | Cc1ccnc2[nH]ccc12 | 2 | 2 |
| mol7804 | Cc1cnc2[nH]ccc2c1 | 2 | 2 |
| mol7805 | Cc1ccc2cc[nH]c2n1 | 2 | 2 |
| mol7806 | c1ccn2nccc2c1 | 0 | 0 |
| mol7807 | c1ccn2cncc2c1 | 2 | 2 |
| mol7808 | Cn1cc2ccncc2c1 | 2 | 2 |
| mol7809 | Cc1c(C#N)c(O)nc2c1CCO2 | 2 | 2 |
| mol7810 | COc1nc2c(c(C)c1C#N)CCO2 | 0 | 0 |
| mol7811 | Cc1c2c(n(C)c(=O)c1C#N)OCC2 | 0 | 0 |
| mol7812 | Cc1cc(O)nc2c1CCO2 | 3 | 3 |
| mol7813 | COc1cc(C)c2c(n1)OCC2 | 0 | 0 |
| mol7814 | Cc1cc(=O)n(C)c2c1CCO2 | 0 | 0 |
| mol7815 | Oc1occ2c1CCCN2 | 2 | 3 |
| mol7816 | COc1occ2c1CCCN2 | 0 | 0 |
| mol7817 | CC1CCNC2=COC(=O)C21 | 0 | 0 |
| mol7818 | c1n[nH]c2c1CCCC2 | 2 | 2 |
| mol7819 | Cc1n[nH]c2c1CCCC2 | 2 | 2 |
| mol7820 | C1CN[C@@H]2CCCN[C@H]2C1 | 3 | 3 |