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The dataset generation failed because of a cast error
Error code: DatasetGenerationCastError
Exception: DatasetGenerationCastError
Message: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 2 new columns ({'6.93', 'CCCCN(CC)c1nc(C)nc2c1n(CC1CC1)c(=O)n2-c1ccc(C(C)C)cc1Br'}) and 2 missing columns ({'COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1', '5.7'}).
This happened while the csv dataset builder was generating data using
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'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL338.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL339.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL344.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3473.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3510.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3571.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3594.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3602.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3650.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3706.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3717.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3729.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3759.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3769.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3798.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3836.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3837.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL3952.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4005.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4036.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4072.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4101.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4124.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4153.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4203.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4225.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4308.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4354.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4361.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4409.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4429.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4471.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4482.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4501.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4550.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4552.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4561.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4588.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4608.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4630.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4644.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4708.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4722.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4777.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4792.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4794.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4822.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4852.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4860.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4893.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4900.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4908.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4975.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4980.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5071.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5102.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5112.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5113.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5136.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5261.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5330.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5373.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5407.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5518.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5888.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL6166.csv']
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback: Traceback (most recent call last):
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1848, in _prepare_split_single
writer.write_table(table)
~~~~~~~~~~~~~~~~~~^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 765, in write_table
self._write_table(pa_table, writer_batch_size=writer_batch_size)
~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 773, in _write_table
pa_table = table_cast(pa_table, self._schema)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2378, in table_cast
return cast_table_to_schema(table, schema)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2306, in cast_table_to_schema
raise CastError(
...<3 lines>...
)
datasets.table.CastError: Couldn't cast
CCCCN(CC)c1nc(C)nc2c1n(CC1CC1)c(=O)n2-c1ccc(C(C)C)cc1Br: string
6.93: double
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 599
to
{'COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1': Value('string'), '5.7': Value('float64')}
because column names don't match
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1369, in compute_config_parquet_and_info_response
parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
~~~~~~~~~~~~~~~~~~~~~~~~~^
builder, max_dataset_size_bytes=max_dataset_size_bytes
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
)
^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1694, in _prepare_split
for job_id, done, content in self._prepare_split_single(
~~~~~~~~~~~~~~~~~~~~~~~~~~^
gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
):
^
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1850, in _prepare_split_single
raise DatasetGenerationCastError.from_cast_error(
...<4 lines>...
)
datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 2 new columns ({'6.93', 'CCCCN(CC)c1nc(C)nc2c1n(CC1CC1)c(=O)n2-c1ccc(C(C)C)cc1Br'}) and 2 missing columns ({'COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1', '5.7'}).
This happened while the csv dataset builder was generating data using
hf://datasets/KagakuLab/chembl_200/chembl_200/CHEMBL1800.csv (at revision de881a84bbb6a94de7692b3b10f2e8a5b3023098), ['hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1075104.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1800.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1801.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1821.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1833.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1844.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1855.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1862.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1867.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1871.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1875.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1889.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1898.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1899.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1907589.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1907596.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL1908389.csv', 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'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4561.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4588.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4608.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4630.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4644.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4708.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4722.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4777.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4792.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4794.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4822.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4852.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4860.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4893.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4900.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4908.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4975.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL4980.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5071.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5102.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5112.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5113.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5136.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5261.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5330.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5373.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5407.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5518.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL5888.csv', 'hf://datasets/KagakuLab/chembl_200@de881a84bbb6a94de7692b3b10f2e8a5b3023098/chembl_200/CHEMBL6166.csv']
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 string | 5.7 float64 |
|---|---|
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 | 6.2 |
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC | 7.5 |
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5n[nH]cc45)nc(N4CCOCC4)c3s2)CC1 | 5.6 |
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 | 6.5 |
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 | 6 |
CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1 | 7.5 |
Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1 | 6.3 |
O=C(O)c1csc2c1NCCNC2=O | 4.7 |
COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C | 6 |
COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12 | 5.9 |
Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12 | 6 |
N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 | 7.05 |
COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O | 5.7 |
NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1 | 6.7 |
N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2 | 5.9 |
OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1 | 7.5 |
NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1 | 7 |
Nc1ncnc2c1N=C(c1ccccc1)CCN2 | 5.7 |
CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12 | 7.8 |
CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1 | 6.85 |
Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1 | 6.8 |
CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12 | 6.8 |
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2 | 8.1 |
NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1 | 7 |
Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1 | 6.3 |
Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12 | 5.9 |
COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC | 6.6 |
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1 | 7.2 |
Cc1nnc(-c2ccccc2)c(C#N)n1 | 4.1 |
Nc1[nH]nc2nc(Cl)sc12 | 4.8 |
COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12 | 6.1 |
CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1 | 4.9 |
Oc1cnc2ccc(-c3ccncc3)cc2c1 | 6 |
CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1 | 7.7 |
O=C1NCc2c(Br)cccc21 | 4.5 |
CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1 | 7.7 |
Nc1nnc2cccc(Cl)n12 | 4 |
CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12 | 7.6 |
CC(=O)c1ccccc1-c1ncnc2[nH]ccc12 | 4.9 |
CC(=O)Nc1cc2ccccn2n1 | 4.6 |
c1ccc(-c2c[nH]c3ncnc(N4CCCCC4)c23)cc1 | 7.7 |
CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12 | 4.4 |
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12 | 7.6 |
Fc1cccc(CNc2ncnc3nc[nH]c23)c1 | 5.7 |
NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 | 8.7 |
CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12 | 5.9 |
Nc1noc2cccc(-c3cccc(O)c3)c12 | 5.5 |
N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1 | 6.1 |
CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12 | 5.7 |
CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1 | 5.7 |
CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C | 5.7 |
c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1 | 8 |
O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Br)c1 | 6.1 |
Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1 | 9.2 |
CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12 | 7 |
Nc1ncnc2sccc12 | 4.9 |
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1 | 7.4 |
O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1 | 5.8 |
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1 | 6.3 |
O=c1[nH]c2cc(Br)cnc2[nH]1 | 5.4 |
O=c1[nH]n2ccccc2c1Br | 5.6 |
CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N | 4.1 |
Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1 | 5.8 |
Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1 | 5.6 |
NC(=O)c1cc2ccncc2s1 | 5 |
O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1 | 5.8 |
COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC | 7.2 |
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O | 5.6 |
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1 | 6.2 |
OCc1cc(-c2ccc3n[nH]cc3c2)on1 | 5.4 |
O=C1Nc2ccccc2C1=Cc1ccc[nH]1 | 6.45 |
NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl | 6.5 |
COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC | 5.6 |
CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12 | 6.5 |
Nc1nc2c(s1)Cc1ccccc1-2 | 4.5 |
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21 | 7 |
O=C1NS(=O)(=O)c2ccc(Cl)cc21 | 4.3 |
CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | 9.4 |
Cc1cc(-c2ncnc3[nH]ccc23)ccc1F | 6.4 |
COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O | 5.8 |
CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1 | 6.3 |
CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1 | 7.7 |
O=C(Cc1cccs1)Nc1nc2ccccc2s1 | 6.1 |
COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C | 6.3 |
Nc1nnc2cncc(Cl)n12 | 4.3 |
Nc1ncnc2c1C(=O)NCCN2 | 4.5 |
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 5.7 |
CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12 | 6 |
COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O | 6.1 |
O=c1nc[nH]c2c(Cl)cccc12 | 5.8 |
O=C1Nc2ccccc2Nc2ccccc21 | 4.5 |
CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1 | 5.6 |
CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1 | 5.9 |
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F | 7.1 |
NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1 | 6.9 |
Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1 | 7 |
CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1 | 8.9 |
OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 | 8.1 |
CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1 | 7.8 |
CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12 | 6.7 |
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