| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6821 | CC(C)(C)c1ccn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 | 0 | 0 |
| mol6822 | Clc1cc[nH]n1 | 2 | 2 |
| mol6823 | Clc1cn[nH]c1 | 2 | 2 |
| mol6824 | Cc1n[nH]c(C)c1Cl | 2 | 2 |
| mol6825 | CCc1n[nH]cc1Cl | 2 | 2 |
| mol6826 | Cc1cc(Cl)n[nH]1 | 2 | 2 |
| mol6827 | Cc1n[nH]cc1Cl | 2 | 2 |
| mol6828 | Clc1cnn(-c2ccccc2)c1 | 2 | 2 |
| mol6829 | Clc1c[nH]nc1-c1ccccc1 | 2 | 2 |
| mol6830 | CCc1[nH]nc(C2CCC2)c1C | 0 | 0 |
| mol6831 | CCc1[nH]nc(C2CCCC2)c1C | 0 | 0 |
| mol6832 | c1cc(C2CC2)n[nH]1 | 2 | 2 |
| mol6833 | CCc1[nH]nc(C2CC2)c1C | 2 | 2 |
| mol6834 | Brc1c[nH]nc1Br | 2 | 2 |
| mol6835 | Cc1c(Br)c(Br)nn1C | 2 | 2 |
| mol6836 | Cc1nn(C)c(Br)c1Br | 2 | 2 |
| mol6837 | Cc1[nH]nc(Br)c1Br | 2 | 2 |
| mol6838 | CCc1n[nH]c(CC)c1C | 2 | 2 |
| mol6839 | C1=NNCC1 | 2 | 3 |
| mol6840 | CC1=NN(C)CC1 | 2 | 3 |