The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
The dataset generation failed
Error code:   DatasetGenerationError
Exception:    ArrowInvalid
Message:      Failed to parse string: 'zinc_finger' as a scalar of type double
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1831, in _prepare_split_single
                  writer.write_table(table)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 644, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2272, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2223, in cast_table_to_schema
                  arrays = [
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2224, in <listcomp>
                  cast_array_to_feature(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 1795, in wrapper
                  return pa.chunked_array([func(chunk, *args, **kwargs) for chunk in array.chunks])
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 1795, in <listcomp>
                  return pa.chunked_array([func(chunk, *args, **kwargs) for chunk in array.chunks])
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2086, in cast_array_to_feature
                  return array_cast(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 1797, in wrapper
                  return func(array, *args, **kwargs)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 1949, in array_cast
                  return array.cast(pa_type)
                File "pyarrow/array.pxi", line 996, in pyarrow.lib.Array.cast
                File "/src/services/worker/.venv/lib/python3.9/site-packages/pyarrow/compute.py", line 404, in cast
                  return call_function("cast", [arr], options, memory_pool)
                File "pyarrow/_compute.pyx", line 590, in pyarrow._compute.call_function
                File "pyarrow/_compute.pyx", line 385, in pyarrow._compute.Function.call
                File "pyarrow/error.pxi", line 154, in pyarrow.lib.pyarrow_internal_check_status
                File "pyarrow/error.pxi", line 91, in pyarrow.lib.check_status
              pyarrow.lib.ArrowInvalid: Failed to parse string: 'zinc_finger' as a scalar of type double
              
              The above exception was the direct cause of the following exception:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1438, in compute_config_parquet_and_info_response
                  parquet_operations = convert_to_parquet(builder)
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1055, in convert_to_parquet
                  builder.download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 894, in download_and_prepare
                  self._download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 970, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1702, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1858, in _prepare_split_single
                  raise DatasetGenerationError("An error occurred while generating the dataset") from e
              datasets.exceptions.DatasetGenerationError: An error occurred while generating the dataset

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.

Type
string
DatasetName
null
AID
int64
ID
int64
IDType
string
SMILES
string
Absorbance
null
720,541
403
CID
Nc1ccc(O)cc1
Absorbance
null
720,541
2,794
CID
CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
Absorbance
null
720,541
3,468
CID
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1
Absorbance
null
720,541
4,485
CID
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
Absorbance
null
720,541
5,291
CID
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
Absorbance
null
720,541
6,053
CID
CN(C)c1ccc(N=Nc2ccccc2)cc1
Absorbance
null
720,541
6,706
CID
CNc1cccc2c1C(=O)c1ccccc1C2=O
Absorbance
null
720,541
7,589
CID
CCC(C)Nc1ccc(NC(C)CC)cc1
Absorbance
null
720,541
9,305
CID
N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
Absorbance
null
720,541
14,749
CID
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c1C2=O
Absorbance
null
720,541
16,414
CID
CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21
Absorbance
null
720,541
16,888
CID
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(O)cc2S(=O)(=O)O)cc1
Absorbance
null
720,541
21,796
CID
COc1ccccc1N1CCN(CCc2c[nH]c3cc4c(cc23)OCO4)CC1.O=C(O)C(O)C(O)C(=O)O
Absorbance
null
720,541
26,248
CID
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
Absorbance
null
720,541
61,336
CID
CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1
Absorbance
null
720,541
63,204
CID
O=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1
Absorbance
null
720,541
67,954
CID
CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1
Absorbance
null
720,541
68,939
CID
[O-][S+](c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O
Absorbance
null
720,541
81,124
CID
O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21
Absorbance
null
720,541
83,650
CID
O=C1c2cccc(Sc3ccccc3)c2C(=O)c2c(Sc3ccccc3)cccc21
Absorbance
null
720,541
86,911
CID
CN(C)c1ccc(N=Nc2ccnc3ccccc23)cc1
Absorbance
null
720,541
95,307
CID
O=C(O)c1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O
Absorbance
null
720,541
115,824
CID
Oc1ccccc1C=NC1CCCCC1N=Cc1ccccc1O
Absorbance
null
720,541
124,496
CID
CN(C)CCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23
Absorbance
null
720,541
159,917
CID
COc1cc(C=NO)nc(-c2ccccn2)c1
Absorbance
null
720,541
224,068
CID
CN(C)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1
Absorbance
null
720,541
246,666
CID
Nc1ccc2c(c1Cl)C(=O)c1ccc(N)c(Cl)c1C2=O
Absorbance
null
720,541
256,073
CID
O=C(Cc1ccccc1)c1ccccn1
Absorbance
null
720,541
260,550
CID
CNc1ccc(C=C2c3ccccc3-c3ccccc32)cc1
Absorbance
null
720,541
267,862
CID
CN(C)c1ccc2c(c1)C(=NO)c1ccccc1-2
Absorbance
null
720,541
273,436
CID
CC(=O)Oc1cccc2c1C(=O)C1CC=CC(OC(C)=O)C1C2=O
Absorbance
null
720,541
274,127
CID
O=C(O)CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12
Absorbance
null
720,541
274,337
CID
OCCN(Cc1cccnc1)Cc1ccccn1
Absorbance
null
720,541
277,054
CID
COc1cc2c(cc1N)-c1ccc(N)cc1C2=O
Absorbance
null
720,541
278,037
CID
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[nH]c(=O)c1ccccc12
Absorbance
null
720,541
278,718
CID
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1
Absorbance
null
720,541
279,589
CID
COc1cc(N(C(C)=O)c2ccc(O)c(C(=O)O)c2)c2ncccc2c1
Absorbance
null
720,541
283,447
CID
CC1=CC(=O)Nc2ncccc2O1
Absorbance
null
720,541
291,365
CID
O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21
Absorbance
null
720,541
296,003
CID
O=c1oc(-c2ccco2)nc2ccccc12
Absorbance
null
720,541
320,334
CID
COc1ccc(-c2c(N)cnc(C(=O)O)c2C)c(OCc2ccccc2)c1OC
Absorbance
null
720,541
328,145
CID
CN(C)c1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1
Absorbance
null
720,541
330,973
CID
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)CC(=O)O[C@H]3[C@@H]4C(=C)C(=O)O[C@@H]4C[C@@H](C)[C@@H]4C=CC(=O)[C@]43C)[C@H]12
Absorbance
null
720,541
371,509
CID
CN(C)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23
Absorbance
null
720,541
378,196
CID
O=C1C=CC(=O)c2c(O)c(N3CCN(CCOCCO)CC3)c(Br)c(O)c21
Absorbance
null
720,541
396,090
CID
O=c1c2ccccc2oc2nc3n(c(=O)c12)CCCS3
Absorbance
null
720,541
565,801
CID
NNC(=O)c1nc[nH]c1C(=O)Nc1ccccn1
Absorbance
null
720,541
584,972
CID
CCOC(=O)c1ncccc1NC(=O)CC(=O)Nc1cccnc1C(=O)OCC
Absorbance
null
720,541
631,429
CID
CN(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccccc1
Absorbance
null
720,541
636,397
CID
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1
Absorbance
null
720,541
654,122
CID
COc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1
Absorbance
null
720,541
655,444
CID
COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCn1nnc2ccccc21
Absorbance
null
720,541
662,304
CID
COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1OC
Absorbance
null
720,541
665,043
CID
CSc1nc(NCCOCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4
Absorbance
null
720,541
688,489
CID
N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1
Absorbance
null
720,541
691,744
CID
COc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OC
Absorbance
null
720,541
697,303
CID
Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
Absorbance
null
720,541
700,996
CID
N#Cc1c(N)n(-c2cccc(C(=O)O)c2)c2nc3ccccc3nc12
Absorbance
null
720,541
701,172
CID
Oc1c(Cl)cc(CN2CCOCC2)c2cccnc12
Absorbance
null
720,541
701,842
CID
O=C(/C=C/c1ccccc1)Oc1cccc2cccnc12
Absorbance
null
720,541
705,209
CID
N#Cc1c(N)n(-c2ccc(C(=O)O)cc2)c2nc3ccccc3nc12
Absorbance
null
720,541
706,057
CID
Cc1sc2nc3ccc(N4CCCCC4)nn3c(=O)c2c1C
Absorbance
null
720,541
709,605
CID
CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1
Absorbance
null
720,541
711,946
CID
CCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1
Absorbance
null
720,541
721,647
CID
CCOC(=O)c1cnc2c(C#N)cnn2c1N
Absorbance
null
720,541
741,311
CID
O=c1c(CO)cc(CO)cc(CO)c1O
Absorbance
null
720,541
751,394
CID
Cc1cccc(C)c1Nc1c(-c2ccccn2)nc2ccccn12
Absorbance
null
720,541
767,585
CID
O=c1nc2c(O)cccn2c2c1c(=O)[nH]c1ccccc12
Absorbance
null
720,541
774,142
CID
O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
Absorbance
null
720,541
776,361
CID
CCNc1ccc2noc3c2c1C(=O)c1ccccc1-3
Absorbance
null
720,541
778,948
CID
O=C(/C=C/c1ccco1)Oc1cccc2cccnc12
Absorbance
null
720,541
784,642
CID
O=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)O
Absorbance
null
720,541
788,569
CID
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1
Absorbance
null
720,541
795,616
CID
CC(=O)c1ccc(OC(=O)/C=C/c2ccccc2)cc1
Absorbance
null
720,541
817,320
CID
Cc1cccc(NC(=S)NC(=O)c2ccco2)n1
Absorbance
null
720,541
817,337
CID
CCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
Absorbance
null
720,541
823,571
CID
Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NN)cc1
Absorbance
null
720,541
824,040
CID
O=C(Nc1cccc(O)c1)c1cccc(C(=O)Nc2cccc(O)c2)c1
Absorbance
null
720,541
828,102
CID
COC(=O)c1cc2c(ccc3ccccc32)oc1=O
Absorbance
null
720,541
829,849
CID
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1C(=O)O
Absorbance
null
720,541
838,386
CID
CN(C)c1ccc(N=c2sc3ccccc3n2C)cc1
Absorbance
null
720,541
841,628
CID
NC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2
Absorbance
null
720,541
844,733
CID
Cn1nc([N+](=O)[O-])nc1Sc1cccc2cccnc12
Absorbance
null
720,541
848,481
CID
Cc1cn2c(nc(=O)c3cccnc32)s1
Absorbance
null
720,541
852,940
CID
CCc1cc2c(=O)[nH]c(-c3ccccn3)nc2s1
Absorbance
null
720,541
866,317
CID
O=C(NC1CC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
Absorbance
null
720,541
877,413
CID
Cc1ccc(NC(=O)CSc2cccc3cccnc23)c(C)c1
Absorbance
null
720,541
878,844
CID
Nc1[nH]nc2ncc3cc4ccccc4nc3c12
Absorbance
null
720,541
888,046
CID
Cc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1
Absorbance
null
720,541
899,295
CID
CCc1nnc2c(N(C)C)nc3ccccc3n12
Absorbance
null
720,541
938,368
CID
COC1=C(Nc2ccc(OC)cc2)C(=O)c2ccccc2C1=O
Absorbance
null
720,541
945,686
CID
COc1cc2c(cc1OC)-c1cc(Nc3ccccc3)nc(=O)n1CC2
Absorbance
null
720,541
950,852
CID
Oc1ccc(Cl)cc1CNc1cccc2cccnc12
Absorbance
null
720,541
972,847
CID
COc1ccc(CCNc2nc(-c3ccccn3)cs2)cc1OC
Absorbance
null
720,541
983,525
CID
O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1
Absorbance
null
720,541
992,589
CID
CCOc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1
Absorbance
null
720,541
1,013,432
CID
O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1
Absorbance
null
720,541
1,069,848
CID
NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br
Absorbance
null
720,541
1,072,899
CID
O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCC1
Absorbance
null
720,541
1,077,179
CID
CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1
End of preview.