The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
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 ({'pert_id', 'gene_id'}) and 2 missing columns ({'Metadata_mmoles_per_liter', 'cell_bid'}).
This happened while the csv dataset builder was generating data using
/tmp/hf-datasets-cache/medium/datasets/74656290791168-config-parquet-and-info-liuganghuggingface-InfoAl-fea82507/downloads/76a00af91259422aaa92e91a5550f4c0bee4d20fe602d29c07f1d55ecbe3cc33
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 "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2011, in _prepare_split_single
writer.write_table(table)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 585, 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 2302, in table_cast
return cast_table_to_schema(table, schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2256, in cast_table_to_schema
raise CastError(
datasets.table.CastError: Couldn't cast
gene_id: string
mol_id: string
smiles: string
inchikey: string
pert_id: string
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 830
to
{'cell_bid': Value(dtype='string', id=None), 'mol_id': Value(dtype='string', id=None), 'smiles': Value(dtype='string', id=None), 'inchikey': Value(dtype='string', id=None), 'Metadata_mmoles_per_liter': Value(dtype='float64', id=None)}
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 1542, 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 1156, in convert_to_parquet
builder.download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1027, in download_and_prepare
self._download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1122, 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 1882, 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 2013, in _prepare_split_single
raise DatasetGenerationCastError.from_cast_error(
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 ({'pert_id', 'gene_id'}) and 2 missing columns ({'Metadata_mmoles_per_liter', 'cell_bid'}).
This happened while the csv dataset builder was generating data using
/tmp/hf-datasets-cache/medium/datasets/74656290791168-config-parquet-and-info-liuganghuggingface-InfoAl-fea82507/downloads/76a00af91259422aaa92e91a5550f4c0bee4d20fe602d29c07f1d55ecbe3cc33
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.
cell_bid
string | mol_id
string | smiles
string | inchikey
string | Metadata_mmoles_per_liter
float64 |
|---|---|---|---|---|
cb2
|
m25219
|
CNC[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C
|
FOLOUAULJSJVDY
| 4.973595
|
cb3
|
m25219
|
CNC[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C
|
FOLOUAULJSJVDY
| 4.912934
|
cb4
|
m25219
|
CNC[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C
|
FOLOUAULJSJVDY
| 5.012874
|
cb16
|
m13874
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCc2cn(nn2)CCCC1=O
|
CMMUKIKJYLMGMW
| 5.107148
|
cb17
|
m13874
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)CCC(F)(F)F
|
CMMUKIKJYLMGMW
| 5.034691
|
cb18
|
m13874
|
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)CCC(F)(F)F
|
CMMUKIKJYLMGMW
| 4.941934
|
cb20
|
m34082
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)C1CC1
|
HEIBNMHSSNMFIU
| 5.00412
|
cb21
|
m34082
|
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)C1CC1
|
HEIBNMHSSNMFIU
| 4.954627
|
cb28
|
m104318
|
CC(C)COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C
|
UOJDQXZVAPFQKD
| 5.000144
|
cb29
|
m104318
|
CC(C)COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C
|
UOJDQXZVAPFQKD
| 5.032085
|
cb30
|
m104318
|
CC(C)COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C
|
UOJDQXZVAPFQKD
| 5.011832
|
cb31
|
m49502
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2F)OCc2cn(nn2)CCCC1=O
|
JYOVEVCXPRGJRX
| 5.018675
|
cb32
|
m49502
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccccc1F
|
JYOVEVCXPRGJRX
| 5.006231
|
cb33
|
m49502
|
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)S(=O)(=O)c1ccccc1F
|
JYOVEVCXPRGJRX
| 4.977088
|
cb34
|
m49502
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccccc1F
|
JYOVEVCXPRGJRX
| 4.931146
|
cb43
|
m10239
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccnc1
|
BVMGYWBUQYFDAA
| 5.149776
|
cb44
|
m10239
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccnc1
|
BVMGYWBUQYFDAA
| 4.968992
|
cb50
|
m38344
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(O)=Nc2ccccc2)OCc2cn(nn2)CCCC1=O
|
HYHIJLYQTCYSKX
| 4.915798
|
cb51
|
m38344
|
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(O)=Nc1ccccc1
|
HYHIJLYQTCYSKX
| 4.963155
|
cb52
|
m38344
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=Nc1ccccc1
|
HYHIJLYQTCYSKX
| 4.984176
|
cb53
|
m4916
|
COc1ccc(S(=O)(=O)N(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1
|
AWVASGRLDZTAAI
| 5.066855
|
cb54
|
m4916
|
COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1
|
AWVASGRLDZTAAI
| 5.08034
|
cb55
|
m4916
|
COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1
|
AWVASGRLDZTAAI
| 5.03069
|
cb63
|
m3262
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=NC1CCCCC1
|
APDMZOWNVCUUKT
| 4.955348
|
cb64
|
m3262
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=NC1CCCCC1
|
APDMZOWNVCUUKT
| 4.900951
|
cb75
|
m19343
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
|
DMKVVNQLOZTLAB
| 5.129618
|
cb76
|
m19343
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
|
DMKVVNQLOZTLAB
| 5.050917
|
cb79
|
m17596
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(O)=Nc2ccc3c(c2)OCO3)OCc2cn(nn2)CCCC1=O
|
DEGZSTUNWMGQCY
| 4.960436
|
cb80
|
m17596
|
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(O)=Nc1ccc2c(c1)OCO2
|
DEGZSTUNWMGQCY
| 5.102178
|
cb81
|
m17596
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=Nc1ccc2c(c1)OCO2
|
DEGZSTUNWMGQCY
| 5.114419
|
cb112
|
m87676
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc3ccccc3c2)OCc2cn(nn2)CCCC1=O
|
QVHCTLOUCAXGOY
| 4.99183
|
cb113
|
m87676
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccc2ccccc2c1
|
QVHCTLOUCAXGOY
| 5.042229
|
cb114
|
m87676
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccc2ccccc2c1
|
QVHCTLOUCAXGOY
| 5.089886
|
cb122
|
m74326
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3cccnc3c2)OCc2cnnn2CCCC1=O
|
OLIWWUKSUJJEPA
| 5.061489
|
cb123
|
m74326
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc2cccnc2c1
|
OLIWWUKSUJJEPA
| 5.056791
|
cb132
|
m118392
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc3c2OCCCO3)OCc2cnnn2CCCC1=O
|
XBPVHNZVBFLVIV
| 5.078081
|
cb133
|
m118392
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccc2c1OCCCO2
|
XBPVHNZVBFLVIV
| 5.137466
|
cb134
|
m118392
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccc2c1OCCCO2
|
XBPVHNZVBFLVIV
| 5.017247
|
cb144
|
m44422
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Oc2ccc3ccccc3c2)OCc2cn(nn2)CCCC1=O
|
JATGFWCPGFHVCF
| 4.997495
|
cb145
|
m44422
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Oc1ccc2ccccc2c1
|
JATGFWCPGFHVCF
| 5.036435
|
cb146
|
m114164
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)Oc1cccc2ccccc12
|
WIMCLPXWPPGBKL
| 4.974357
|
cb147
|
m114164
|
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Oc2cccc3ccccc23)OCc2cnnn2CCCC1=O
|
WIMCLPXWPPGBKL
| 4.995321
|
cb148
|
m114164
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Oc1cccc2ccccc12
|
WIMCLPXWPPGBKL
| 4.958227
|
cb149
|
m114164
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)Oc1cccc2ccccc12
|
WIMCLPXWPPGBKL
| 5.064662
|
cb150
|
m114164
|
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)Oc1cccc2ccccc12
|
WIMCLPXWPPGBKL
| 5.150687
|
cb151
|
m114164
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Oc1cccc2ccccc12
|
WIMCLPXWPPGBKL
| 5.11385
|
cb152
|
m117701
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(O)=Nc2cccc(Oc3ccccn3)c2)OCc2cn(nn2)CCCC1=O
|
WYPGSQIBOYUSAK
| 5.034041
|
cb153
|
m117701
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=Nc1cccc(Oc2ccccn2)c1
|
WYPGSQIBOYUSAK
| 5.047267
|
cb154
|
m117701
|
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(O)=Nc1cccc(Oc2ccccn2)c1
|
WYPGSQIBOYUSAK
| 4.980676
|
cb155
|
m29255
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(O)=Nc2cccc(Oc3ccccn3)c2)OCc2cnnn2CCCC1=O
|
GHLJLHKVBJDFKH
| 5.126035
|
cb156
|
m29255
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(O)=Nc1cccc(Oc2ccccn2)c1
|
GHLJLHKVBJDFKH
| 5.038213
|
cb157
|
m29255
|
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(O)=Nc2cccc(Oc3ccccn3)c2)OCc2cnnn2CCCC1=O
|
GHLJLHKVBJDFKH
| 4.978223
|
cb158
|
m29255
|
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(O)=Nc1cccc(Oc2ccccn2)c1
|
GHLJLHKVBJDFKH
| 5.078717
|
cb177
|
m15555
|
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O
|
CUSMSBFNEHNGNQ
| 5.061069
|
cb178
|
m15555
|
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
|
CUSMSBFNEHNGNQ
| 5.133731
|
cb179
|
m9586
|
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(O)=NCC3CCCCC3)CC[C@H]21
|
BSKZHQCAOYVBFU
| 5.041411
|
cb180
|
m9586
|
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(O)=NCC3CCCCC3)CC[C@H]21
|
BSKZHQCAOYVBFU
| 4.974543
|
cb181
|
m9586
|
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(O)=NCC3CCCCC3)CC[C@@H]21
|
BSKZHQCAOYVBFU
| 5.02425
|
cb182
|
m9586
|
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(O)=NCC3CCCCC3)CC[C@@H]21
|
BSKZHQCAOYVBFU
| 4.956548
|
cb183
|
m9586
|
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(O)=NCC3CCCCC3)CC[C@H]21
|
BSKZHQCAOYVBFU
| 5.005746
|
cb184
|
m9586
|
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(O)=NCC3CCCCC3)CC[C@@H]21
|
BSKZHQCAOYVBFU
| 4.998815
|
cb185
|
m9586
|
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(O)=NCC3CCCCC3)CC[C@H]21
|
BSKZHQCAOYVBFU
| 5.021769
|
cb193
|
m30781
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCC)N(Cc3cocn3)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCC)N(Cc3cocn3)[C@@H]21
|
GOSQUEMGCNFWKR
| 5.01289
|
cb194
|
m30781
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCC)N(Cc3cocn3)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCC)N(Cc3cocn3)[C@H]21
|
GOSQUEMGCNFWKR
| 5.003229
|
cb195
|
m87694
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCOC)[C@@H]2N1Cc1nccs1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCOC)[C@@H]2N1Cc1nccs1
|
QVJUFKVGYWDMAL
| 5.050051
|
cb196
|
m87694
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCOC)[C@H]2N1Cc1nccs1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCOC)[C@H]2N1Cc1nccs1
|
QVJUFKVGYWDMAL
| 4.976527
|
cb199
|
m15883
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CCOCC1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CCOCC1
|
CWELBPBUWGSKQY
| 4.984858
|
cb200
|
m15883
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CCOCC1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CCOCC1
|
CWELBPBUWGSKQY
| 5.047031
|
cb201
|
m63493
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC(F)(F)F)N(C(=O)c3cccnc3)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC(F)(F)F)N(C(=O)c3cccnc3)[C@@H]21
|
MMSVXHZGTZHGPG
| 5.068956
|
cb202
|
m63493
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC(F)(F)F)N(C(=O)c3cccnc3)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC(F)(F)F)N(C(=O)c3cccnc3)[C@H]21
|
MMSVXHZGTZHGPG
| 4.982435
|
cb203
|
m11816
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3cc(F)cc(F)c3)[C@H]2N1S(C)(=O)=O.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3cc(F)cc(F)c3)[C@H]2N1S(C)(=O)=O
|
CCZGDERCCJEOFJ
| 4.993372
|
cb204
|
m40324
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1N[C@H]2[C@H](C(O)=NCc2ccc3c(c2)OCO3)[C@H]1CO.C/C=C\c1ccc2n(c1=O)C[C@@H]1N[C@H]2[C@H](C(O)=NCc2ccc3c(c2)OCO3)[C@H]1CO
|
IHPZOKOAQWUWOA
| 5.058472
|
cb205
|
m40324
|
C/C=C/c1ccc2n(c1=O)C[C@H]1N[C@@H]2[C@@H](C(O)=NCc2ccc3c(c2)OCO3)[C@@H]1CO.C/C=C\c1ccc2n(c1=O)C[C@H]1N[C@@H]2[C@@H](C(O)=NCc2ccc3c(c2)OCO3)[C@@H]1CO
|
IHPZOKOAQWUWOA
| 5.005379
|
cb208
|
m75157
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1S(=O)(=O)c1cccc(C)c1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1S(=O)(=O)c1cccc(C)c1
|
OPJCSXFNIRQLBQ
| 4.970894
|
cb209
|
m75157
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1S(=O)(=O)c1cccc(C)c1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1S(=O)(=O)c1cccc(C)c1
|
OPJCSXFNIRQLBQ
| 5.046707
|
cb210
|
m33105
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCc3cccc(OC)c3)N[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCc3cccc(OC)c3)N[C@@H]21
|
GZTMFBFGJVKLKE
| 5.004025
|
cb211
|
m33105
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3cccc(OC)c3)N[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3cccc(OC)c3)N[C@H]21
|
GZTMFBFGJVKLKE
| 5.003749
|
cb214
|
m61000
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NC3CCC3)[C@@H]2N1S(=O)(=O)c1cn(C)cn1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NC3CCC3)[C@@H]2N1S(=O)(=O)c1cn(C)cn1
|
MAYPJGPMDPCVRU
| 5.013725
|
cb215
|
m61000
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NC3CCC3)[C@H]2N1S(=O)(=O)c1cn(C)cn1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NC3CCC3)[C@H]2N1S(=O)(=O)c1cn(C)cn1
|
MAYPJGPMDPCVRU
| 4.994823
|
cb216
|
m65679
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1C(=O)c1ccc(F)cc1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1C(=O)c1ccc(F)cc1
|
MWRJRRDCKGAZGY
| 5.025057
|
cb217
|
m65679
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1C(=O)c1ccc(F)cc1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1C(=O)c1ccc(F)cc1
|
MWRJRRDCKGAZGY
| 4.997863
|
cb218
|
m17434
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC)[C@@H]2N1Cc1cccc(Cl)c1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC)[C@@H]2N1Cc1cccc(Cl)c1
|
DDLCGIHGNSZQJS
| 5.013044
|
cb219
|
m17434
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC)[C@H]2N1Cc1cccc(Cl)c1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC)[C@H]2N1Cc1cccc(Cl)c1
|
DDLCGIHGNSZQJS
| 5.009739
|
cb220
|
m5891
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC)N(Cc3ccccc3Cl)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC)N(Cc3ccccc3Cl)[C@@H]21
|
BBJDFTMDCDCETN
| 4.980708
|
cb221
|
m5891
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC)N(Cc3ccccc3Cl)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC)N(Cc3ccccc3Cl)[C@H]21
|
BBJDFTMDCDCETN
| 5.044683
|
cb222
|
m38021
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)N(CCc3ccccc3)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)N(CCc3ccccc3)[C@@H]21
|
HWXVAOXZBVDFCJ
| 4.999661
|
cb223
|
m38021
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)N(CCc3ccccc3)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)N(CCc3ccccc3)[C@H]21
|
HWXVAOXZBVDFCJ
| 4.994211
|
cb224
|
m115136
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCc3cn(C)cn3)[C@@H]2N1C(=O)CC.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCc3cn(C)cn3)[C@@H]2N1C(=O)CC
|
WMZNZTBMFPTLSB
| 5.007921
|
cb225
|
m115136
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCc3cn(C)cn3)[C@H]2N1C(=O)CC.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCc3cn(C)cn3)[C@H]2N1C(=O)CC
|
WMZNZTBMFPTLSB
| 5.015007
|
cb226
|
m64942
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC3CCCCC3)[C@@H]2N1C(C)=O.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC3CCCCC3)[C@@H]2N1C(C)=O
|
MTFSLJXEIRKOKM
| 5.013939
|
cb227
|
m64942
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC3CCCCC3)[C@H]2N1C(C)=O.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC3CCCCC3)[C@H]2N1C(C)=O
|
MTFSLJXEIRKOKM
| 5.006081
|
cb230
|
m59020
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=Nc3nccs3)N(Cc3cc(F)ccc3F)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=Nc3nccs3)N(Cc3cc(F)ccc3F)[C@@H]21
|
LROWCOSISYCRIQ
| 5.047529
|
cb231
|
m59020
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=Nc3nccs3)N(Cc3cc(F)ccc3F)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=Nc3nccs3)N(Cc3cc(F)ccc3F)[C@H]21
|
LROWCOSISYCRIQ
| 5.007773
|
cb232
|
m84316
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCC)[C@@H]2N1C(O)=Nc1cc(F)ccc1F.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCC)[C@@H]2N1C(O)=Nc1cc(F)ccc1F
|
QFZYXZULAIJTQK
| 4.993766
|
cb233
|
m84316
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCC)[C@H]2N1C(O)=Nc1cc(F)ccc1F.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCC)[C@H]2N1C(O)=Nc1cc(F)ccc1F
|
QFZYXZULAIJTQK
| 4.998789
|
cb234
|
m37932
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NC3CCC3)[C@@H]2N1C(=O)c1ccccn1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NC3CCC3)[C@@H]2N1C(=O)c1ccccn1
|
HWNQSPGDBFKSOQ
| 5.005149
|
cb235
|
m37932
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NC3CCC3)[C@H]2N1C(=O)c1ccccn1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NC3CCC3)[C@H]2N1C(=O)c1ccccn1
|
HWNQSPGDBFKSOQ
| 5.058564
|
cb238
|
m29024
|
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCc3ccc(F)cc3)[C@@H]2N1CCC.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCc3ccc(F)cc3)[C@@H]2N1CCC
|
GGIDMMYQUXUKCO
| 5.034635
|
cb239
|
m29024
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3ccc(F)cc3)[C@H]2N1CCC.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3ccc(F)cc3)[C@H]2N1CCC
|
GGIDMMYQUXUKCO
| 5.018146
|
cb242
|
m86093
|
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=N[C@@H](C)c3ccccc3)[C@H]2N1CC.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=N[C@@H](C)c3ccccc3)[C@H]2N1CC
|
QNYIUHHVJKFROO
| 4.963266
|
End of preview.
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