| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol7941 | Cc1nc2ccc(C#N)cc2nc1C | 0 | 0 |
| mol7942 | Cc1nc2ccccc2nc1C | 0 | 0 |
| mol7943 | COc1ccc2nc(C)c(C)nc2c1 | 0 | 0 |
| mol7944 | Cc1nc2ccc([N+](=O)[O-])cc2nc1C | 0 | 0 |
| mol7945 | CCOc1ccc2nc(C)c(C)nc2c1 | 0 | 0 |
| mol7946 | Cc1nc2ccc(F)cc2nc1C | 0 | 0 |
| mol7947 | Cc1nc2ccc(I)cc2nc1C | 0 | 0 |
| mol7948 | C[S+]([O-])c1cnc2ccccc2n1 | 2 | 3 |
| mol7949 | CS(=O)(=O)c1cnc2ccccc2n1 | 2 | 3 |
| mol7950 | Cc1ccc2nc(C)c(C)nc2c1 | 3 | 4 |
| mol7951 | Nc1nc2c(o1)CCCC2 | 2 | 3 |
| mol7952 | CN=c1oc2c(n1C)CCCC2 | 2 | 2 |
| mol7953 | CN(C)c1nc2c(o1)CCCC2 | 2 | 3 |
| mol7954 | Nc1nc2c(s1)CCCC2 | 2 | 3 |
| mol7955 | CN=c1sc2c(n1C)CCCC2 | 2 | 2 |
| mol7956 | CN(C)c1nc2c(s1)CCCC2 | 2 | 3 |
| mol7957 | Oc1scc2c1CCCN2 | 0 | 0 |
| mol7958 | COc1scc2c1CCCN2 | 2 | 2 |
| mol7959 | CC1CCNC2=CSC(=O)C21 | 0 | 0 |
| mol7960 | O=S1(=O)C=C2NCCCC2=C1O | 0 | 0 |