| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6801 | Cc1c(Br)c(=O)n(-c2ccccc2)n1C | 0 | 0 |
| mol6802 | BrC1=NNC2(CCCC2)C1 | 2 | 3 |
| mol6803 | BrC1=NNC2(CCC2)C1 | 2 | 3 |
| mol6804 | Cc1nn(C)cc1Br | 2 | 2 |
| mol6805 | Cc1c(Br)cnn1C | 2 | 2 |
| mol6806 | Cc1n[nH]c(C)c1Br | 2 | 2 |
| mol6807 | Cc1cc(Br)n(C)n1 | 2 | 2 |
| mol6808 | CCc1n[nH]cc1Br | 2 | 2 |
| mol6809 | Cc1c[nH]nc1Br | 2 | 2 |
| mol6810 | Cc1cc(Br)n[nH]1 | 2 | 2 |
| mol6811 | Cn1cc(Br)cn1 | 2 | 2 |
| mol6812 | Cc1n[nH]cc1Br | 2 | 2 |
| mol6813 | Cc1n[nH]c(-c2ccccc2)c1Br | 2 | 2 |
| mol6814 | Brc1cnn(-c2ccccc2)c1 | 2 | 2 |
| mol6815 | Brc1cn[nH]c1-c1ccccc1 | 2 | 2 |
| mol6816 | Cc1nn(C)c(C)c1Br | 2 | 2 |
| mol6817 | CC(C)(C)n1cccn1 | 2 | 2 |
| mol6818 | CC(C)(C)c1cc[nH]n1 | 2 | 2 |
| mol6819 | CC(C)(C)C1=NNCC1 | 2 | 3 |
| mol6820 | CC(C)(C)C1=NN(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 | 0 | 0 |