| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol7861 | ClCc1ncc2ccccc2n1 | 2 | 3 |
| mol7862 | Cc1nc(Cl)nc2ccccc12 | 2 | 3 |
| mol7863 | N#Cc1ncc2ccccc2n1 | 2 | 3 |
| mol7864 | C1CC[C@H]2NCNC[C@@H]2C1 | 3 | 4 |
| mol7865 | C1CC[C@@H]2NCNC[C@@H]2C1 | 3 | 4 |
| mol7866 | Nc1nc(N)c2ccccc2n1 | 2 | 5 |
| mol7867 | Nc1nc(N)c2c(Cl)ccc(Cl)c2n1 | 2 | 5 |
| mol7868 | CCc1cccc2c(N)nc(N)nc12 | 2 | 5 |
| mol7869 | ClC(Cl)c1ncc2ccccc2n1 | 2 | 3 |
| mol7870 | Cc1nc(C(Cl)Cl)nc2ccccc12 | 2 | 3 |
| mol7871 | CC1=Nc2ccc(C)cc2C(O)N1 | 2 | 2 |
| mol7872 | CC(C)C1=Nc2ccccc2C(O)N1 | 2 | 2 |
| mol7873 | COc1cccc2c1C(O)NC=N2 | 2 | 2 |
| mol7874 | COc1ccc2c(c1)C(O)NC=N2 | 2 | 2 |
| mol7875 | COc1ccc2c(c1)N=CNC2O | 2 | 2 |
| mol7876 | COc1cccc2c1N=CNC2O | 2 | 2 |
| mol7877 | COc1ccc2c(c1)N=C(C)NC2O | 2 | 2 |
| mol7878 | CC1=Nc2ccccc2C(O)N1 | 2 | 2 |
| mol7879 | Cc1cccc2c1C(O)NC=N2 | 2 | 2 |
| mol7880 | Cc1ccc2c(c1)N=CNC2O | 2 | 2 |