| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol2061 | Cc1ccccc1NC(C)(C)C | 2 | 2 |
| mol2062 | Clc1ccc(/C=N/c2ccccc2)cc1 | 2 | 2 |
| mol2063 | COc1cc(N)cc(Cl)c1 | 2 | 2 |
| mol2064 | CN(C)c1cccc(C#N)c1 | 2 | 2 |
| mol2065 | CN(c1ccccc1)C1CCCCC1 | 2 | 2 |
| mol2066 | Nc1ccc(Br)cc1Br | 2 | 2 |
| mol2067 | Nc1ccc(Cl)cc1Cl | 2 | 2 |
| mol2068 | CCN(CC)c1ccccc1 | 2 | 2 |
| mol2069 | Cc1cccc(N)c1C | 2 | 2 |
| mol2070 | Cc1cccc(C)c1N | 2 | 2 |
| mol2071 | Cc1cc(C)cc(N)c1 | 2 | 2 |
| mol2072 | O=C(O)c1cccc(Br)c1CO | 2 | 2 |
| mol2073 | Cc1c(N)ccc([N+](=O)[O-])c1C | 2 | 2 |
| mol2074 | CCOC(=O)c1ccc(N)cc1 | 2 | 2 |
| mol2075 | CCOC(=O)c1ccccc1N(C)C | 2 | 2 |
| mol2076 | CCc1cccc(N)c1 | 2 | 2 |
| mol2077 | CCNc1ccccc1C | 2 | 2 |
| mol2078 | CCNc1ccc(C)cc1 | 2 | 2 |
| mol2079 | CCC(C)(CC)Nc1ccccc1 | 2 | 2 |
| mol2080 | CCCN(CC)c1ccccc1 | 2 | 2 |