| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4181 | CN(C)c1ccnc(O)n1 | 3 | 5 |
| mol4182 | COc1nccc(N(C)C)n1 | 2 | 4 |
| mol4183 | COc1cc(N(C)C)ncn1 | 2 | 4 |
| mol4184 | CNc1nccc(N(C)C)n1 | 2 | 5 |
| mol4185 | CNc1cc(N(C)C)ncn1 | 2 | 5 |
| mol4186 | Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 | 5 | 12 |
| mol4187 | CCNc1ccnc(O)n1 | 2 | 4 |
| mol4188 | CCNc1ccnc(S)n1 | 3 | 5 |
| mol4189 | CCn1cccnc1=N | 2 | 3 |
| mol4190 | CCc1cnc(=N)n(C)c1 | 2 | 3 |
| mol4191 | CCSc1nccc(=O)n1C | 0 | 0 |
| mol4192 | CNc1nc(O)ncc1F | 0 | 0 |
| mol4193 | CCCCCCCNc1ncccn1 | 2 | 3 |
| mol4194 | CCCCCCCn1cccnc1=N | 2 | 3 |
| mol4195 | Cc1cc(=O)n(C)c(NN)n1 | 2 | 4 |
| mol4196 | Cc1cc(O)nc(NN)n1 | 2 | 5 |
| mol4197 | COc1cc(C)nc(NN)n1 | 2 | 4 |
| mol4198 | Oc1ncccn1 | 3 | 3 |
| mol4199 | CNc1ccnc(O)n1 | 3 | 5 |
| mol4200 | CNc1cc(O)ncn1 | 3 | 5 |