| { | |
| "benzene": { | |
| "smarts": "c1ccccc1", | |
| "n_ref": 100 | |
| }, | |
| "pyridine": { | |
| "smarts": "c1ccncc1", | |
| "n_ref": 100 | |
| }, | |
| "naphthalene": { | |
| "smarts": "c1ccc2ccccc2c1", | |
| "n_ref": 100 | |
| }, | |
| "indole": { | |
| "smarts": "c1ccc2[nH]ccc2c1", | |
| "n_ref": 100 | |
| }, | |
| "cyclohexane": { | |
| "smarts": "C1CCCCC1", | |
| "n_ref": 100 | |
| }, | |
| "cyclopentane": { | |
| "smarts": "C1CCCC1", | |
| "n_ref": 100 | |
| } | |
| } |