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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 ({'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)
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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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