| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol7961 | COC1=C2CCCNC2=CS1(=O)=O | 0 | 0 |
| mol7962 | CC1CCNC2=CS(=O)(=O)C(=O)C21 | 0 | 0 |
| mol7963 | COc1ccc2c(c1)C=NOC=N2 | 2 | 3 |
| mol7964 | C1CCN2CCNC2=NC1 | 2 | 2 |
| mol7965 | C1CN2CCNC2=N1 | 2 | 2 |
| mol7966 | O=C1CNC2=NCCN12 | 2 | 2 |
| mol7967 | O=c1nccc2n1CCN2CCO | 2 | 3 |
| mol7968 | Nc1nccn2cncc12 | 2 | 4 |
| mol7969 | Nc1nccn2c(S)ncc12 | 3 | 6 |
| mol7970 | Cn1cnc2ncccc21 | 0 | 0 |
| mol7971 | Clc1nccc2[nH]cnc12 | 3 | 4 |
| mol7972 | Clc1cc2[nH]cnc2cn1 | 3 | 4 |
| mol7973 | Oc1nc2cnc(Cl)cc2[nH]1 | 4 | 6 |
| mol7974 | Sc1nc2cnc(Cl)cc2[nH]1 | 4 | 6 |
| mol7975 | Cn1cnc2cnc(Cl)cc21 | 3 | 4 |
| mol7976 | CSc1nc2cnc(Cl)cc2[nH]1 | 3 | 4 |
| mol7977 | Clc1cc2[nH]c(Cl)nc2cn1 | 3 | 4 |
| mol7978 | Oc1nc2cnccc2[nH]1 | 3 | 5 |
| mol7979 | Sc1nc2cnccc2[nH]1 | 3 | 6 |
| mol7980 | Cn1c(S)nc2cnccc21 | 3 | 5 |