| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol14021 | CC1NOCc2ccccc21 | 2 | 2 |
| mol14022 | CC1ONCc2ccccc21 | 2 | 2 |
| mol14023 | COc1ccc2c(c1)CCN2 | 2 | 2 |
| mol14024 | COc1ccc(C2CN2)cc1 | 2 | 2 |
| mol14025 | CC1=Nc2ccccc2CO1 | 2 | 2 |
| mol14026 | Cc1ccc(O)c2[n+]1CCS2 | 2 | 2 |
| mol14027 | CNc1ncnc2nc[nH]c12 | 4 | 9 |
| mol14028 | Nc1nc(S)c2[nH]cnc2n1 | 3 | 4 |
| mol14029 | Oc1nc(O)c2[nH]nnc2n1 | 3 | 6 |
| mol14030 | c1ccc(-c2ccn[nH]2)nc1 | 3 | 4 |
| mol14031 | Cc1n[nH]c2c(N)cccc12 | 2 | 3 |
| mol14032 | Cc1n[nH]c2cc(N)ccc12 | 2 | 3 |
| mol14033 | Cc1n[nH]c2ccc(N)cc12 | 2 | 3 |
| mol14034 | c1ccc(-n2cccn2)nc1 | 3 | 4 |
| mol14035 | O/N=C1\CCCc2nonc21 | 2 | 2 |
| mol14036 | Nc1ccc2[nH]c(=O)[nH]c2c1 | 3 | 4 |
| mol14037 | On1nnc2c(Cl)cccc21 | 2 | 2 |
| mol14038 | On1nnc2cc(Cl)ccc21 | 2 | 2 |
| mol14039 | On1nnc2ccc(Cl)cc21 | 2 | 2 |
| mol14040 | On1nnc2ccc(Br)cc21 | 2 | 2 |