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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 6 new columns ({'dimension', 'molfile', 'smiles', 'standard_inchi', 'default_structure', 'standard_inchi_key'}) and 5 missing columns ({'language_code', 'name', 'type', 'ascii_name', 'adapted'}).
This happened while the csv dataset builder was generating data using
/tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_structures.tsv.gz, [/tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_names.tsv.gz (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_names.tsv.gz), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_structures.tsv.gz (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_structures.tsv.gz), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/enzymeengdb/enzymeengdb_v6_raw.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/enzymeengdb/enzymeengdb_v6_raw.csv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/esterase_binary.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/esterase_binary.csv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/nitrilase_binary.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/nitrilase_binary.csv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/phosphatase_chiral.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/phosphatase_chiral.csv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-chebi-smiles.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-chebi-smiles.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-directions.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-directions.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-reaction-smiles.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-reaction-smiles.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2ec.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2ec.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2uniprot_sprot.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2uniprot_sprot.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2uniprot_trembl.tsv.gz (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2uniprot_trembl.tsv.gz), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/terpene/dataset-TPS-IOCB.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/terpene/dataset-TPS-IOCB.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/python3.12/site-packages/datasets/builder.py", line 1890, in _prepare_split_single
writer.write_table(table)
File "/usr/local/lib/python3.12/site-packages/datasets/arrow_writer.py", line 760, in write_table
pa_table = table_cast(pa_table, self._schema)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2272, in table_cast
return cast_table_to_schema(table, schema)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2218, in cast_table_to_schema
raise CastError(
datasets.table.CastError: Couldn't cast
id: int64
compound_id: int64
status_id: int64
molfile: string
smiles: string
standard_inchi: string
standard_inchi_key: string
dimension: string
default_structure: bool
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1335
to
{'id': Value('int64'), 'compound_id': Value('int64'), 'name': Value('string'), 'type': Value('string'), 'status_id': Value('int64'), 'adapted': Value('bool'), 'language_code': Value('string'), 'ascii_name': Value('string')}
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 1347, 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 980, in convert_to_parquet
builder.download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 884, in download_and_prepare
self._download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 947, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1739, in _prepare_split
for job_id, done, content in self._prepare_split_single(
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1892, 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 6 new columns ({'dimension', 'molfile', 'smiles', 'standard_inchi', 'default_structure', 'standard_inchi_key'}) and 5 missing columns ({'language_code', 'name', 'type', 'ascii_name', 'adapted'}).
This happened while the csv dataset builder was generating data using
/tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_structures.tsv.gz, [/tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_names.tsv.gz (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_names.tsv.gz), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_structures.tsv.gz (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/chebi/chebi_structures.tsv.gz), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/enzymeengdb/enzymeengdb_v6_raw.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/enzymeengdb/enzymeengdb_v6_raw.csv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/esterase_binary.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/esterase_binary.csv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/nitrilase_binary.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/nitrilase_binary.csv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/phosphatase_chiral.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/goldman/phosphatase_chiral.csv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-chebi-smiles.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-chebi-smiles.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-directions.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-directions.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-reaction-smiles.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea-reaction-smiles.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2ec.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2ec.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2uniprot_sprot.tsv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2uniprot_sprot.tsv), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2uniprot_trembl.tsv.gz (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/rhea/rhea2uniprot_trembl.tsv.gz), /tmp/hf-datasets-cache/medium/datasets/90064154886228-config-parquet-and-info-autobio-contrastzyme-raw--9e4129ee/hub/datasets--autobio--contrastzyme-raw-data/snapshots/86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/terpene/dataset-TPS-IOCB.csv (origin=hf://datasets/autobio/contrastzyme-raw-data@86c4f907d96e5d31655cebfd4a7df7bc77f1a0e4/terpene/dataset-TPS-IOCB.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.
id int64 | compound_id int64 | name string | type string | status_id int64 | adapted bool | language_code string | ascii_name string |
|---|---|---|---|---|---|---|---|
8 | 3 | ((R)-3-Hydroxybutanoyl)(n-2) | SYNONYM | 3 | false | en | ((R)-3-Hydroxybutanoyl)(n-2) |
61,706 | 7 | 1α,6α-car-3-ene | IUPAC NAME | 1 | false | en | 1alpha,6alpha-car-3-ene |
61,701 | 7 | (1<i>S</i>)-(+)-3-carene | SYNONYM | 1 | false | en | (1S)-(+)-3-carene |
61,702 | 7 | (<i>S</i>)-(+)-3-carene | SYNONYM | 1 | false | en | (S)-(+)-3-carene |
61,703 | 7 | (1<i>S</i>,6<i>R</i>)-(+)-3-carene | SYNONYM | 1 | false | en | (1S,6R)-(+)-3-carene |
16 | 7 | (+)-3-Carene | SYNONYM | 1 | false | en | (+)-3-Carene |
61,704 | 7 | (+)-Δ<small><sup>3</small></sup>-carene | SYNONYM | 1 | false | en | (+)-Delta(3)-carene |
61,700 | 7 | (1<i>S</i>)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene | SYNONYM | 1 | false | en | (1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
61,699 | 7 | (1<i>S</i>,6<i>R</i>)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene | IUPAC NAME | 1 | false | en | (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
835,521 | 7 | (+)-car-3-ene | UNIPROT NAME | 1 | false | en | (+)-car-3-ene |
899,760 | 7 | (+)-α-carene | SYNONYM | 1 | false | en | (+)-alpha-carene |
890,956 | 7 | Isodiprene | SYNONYM | 1 | false | en | Isodiprene |
90,658 | 8 | 7β<em>H</em>-cadina-1,3,5-trien-2-ol | IUPAC NAME | 1 | false | en | 7betaH-cadina-1,3,5-trien-2-ol |
17 | 8 | (+)-8-Hydroxycalamenene | SYNONYM | 1 | false | en | (+)-8-Hydroxycalamenene |
90,643 | 8 | (5<i>R</i>,8<i>S</i>)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol | IUPAC NAME | 1 | false | en | (5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol |
827,701 | 8 | (+)-hydroxycalamenene | SYNONYM | 1 | false | en | (+)-hydroxycalamenene |
18 | 9 | (+)-Adlumine | SYNONYM | 3 | false | en | (+)-Adlumine |
19 | 10 | (+)-Atherospermoline | SYNONYM | 3 | false | en | (+)-Atherospermoline |
20 | 11 | (+)-Bebeerine | SYNONYM | 3 | false | en | (+)-Bebeerine |
21 | 11 | Bebeerine | SYNONYM | 3 | false | en | Bebeerine |
32 | 17 | (+)-Cassythicine | SYNONYM | 3 | false | en | (+)-Cassythicine |
37 | 19 | (+)-Chrysanthenone | SYNONYM | 3 | false | en | (+)-Chrysanthenone |
98,702 | 20 | (1<i>R</i>,4<i>S</i>)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane | SYNONYM | 1 | false | en | (1R,4S)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane |
98,705 | 20 | <em>d</em>-camphene | SYNONYM | 1 | true | en | d-camphene |
98,706 | 20 | (1<i>R</i>,4<i>S</i>)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane | IUPAC NAME | 1 | false | en | (1R,4S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane |
98,703 | 20 | (1<i>R</i>,4<i>S</i>)-(+)-camphene | SYNONYM | 1 | true | en | (1R,4S)-(+)-camphene |
39 | 20 | (+)-Camphene | SYNONYM | 1 | false | en | (+)-Camphene |
38 | 20 | (+)-Comphene | SYNONYM | 1 | false | en | (+)-Comphene |
98,704 | 20 | (1<i>R</i>)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane | SYNONYM | 1 | true | en | (1R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane |
835,535 | 20 | (1<i>R</i>,4<i>S</i>)-camphene | UNIPROT NAME | 1 | false | en | (1R,4S)-camphene |
42 | 22 | (+)-Elaeocarpine | SYNONYM | 3 | false | en | (+)-Elaeocarpine |
43 | 23 | (+)-Eudesmin | SYNONYM | 3 | false | en | (+)-Eudesmin |
890,881 | 23 | Pinoresinol dimethyl ether | SYNONYM | 3 | false | en | Pinoresinol dimethyl ether |
44 | 24 | (+)-Galbacin | SYNONYM | 3 | false | en | (+)-Galbacin |
45,631 | 25 | (1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-methyl-5-[(1<i>R</i>)-1-methyl-2-oxoethyl]cyclopentanecarbaldehyde | IUPAC NAME | 1 | false | en | (1R,2S,5R)-2-methyl-5-[(1R)-1-methyl-2-oxoethyl]cyclopentanecarbaldehyde |
45 | 25 | (+)-Iridodial | SYNONYM | 1 | false | en | (+)-Iridodial |
45,632 | 26 | (1<i>R</i>,4a<i>S</i>,7<i>S</i>,7a<i>R</i>)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[<em>c</em>]pyran-1-ol | IUPAC NAME | 1 | false | en | (1R,4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol |
46 | 26 | (+)-Iridodial | SYNONYM | 1 | false | en | (+)-Iridodial |
1,013,674 | 26 | (+)-<i>cis</i>-<i>trans</i>-nepetalactol | UNIPROT NAME | 1 | false | en | (+)-cis-trans-nepetalactol |
60,849 | 28 | (3<i>R</i>)-3,7-dimethyl-1,6-octadien-3-ol | SYNONYM | 1 | false | en | (3R)-3,7-dimethyl-1,6-octadien-3-ol |
64,910 | 28 | (-)-Linalool | SYNONYM | 1 | false | en | (-)-Linalool |
60,848 | 28 | (<i>R</i>)-3,7-dimethyl-1,6-octadien-3-ol | SYNONYM | 1 | false | en | (R)-3,7-dimethyl-1,6-octadien-3-ol |
60,841 | 28 | (3<i>R</i>)-3,7-dimethylocta-1,6-dien-3-ol | IUPAC NAME | 1 | false | en | (3R)-3,7-dimethylocta-1,6-dien-3-ol |
60,847 | 28 | (−)-3,7-dimethyl-1,6-octadien-3-ol | SYNONYM | 1 | false | en | (-)-3,7-dimethyl-1,6-octadien-3-ol |
64,911 | 28 | (R)-(-)-Linalool | SYNONYM | 1 | false | en | (R)-(-)-Linalool |
890,957 | 28 | (3R)-Linalool | SYNONYM | 1 | false | en | (3R)-Linalool |
754,744 | 28 | (<i>R</i>)-linalool | UNIPROT NAME | 1 | false | en | (R)-linalool |
50 | 29 | (+)-Luguine | SYNONYM | 3 | false | en | (+)-Luguine |
51 | 30 | (+)-Mecambroline | SYNONYM | 3 | false | en | (+)-Mecambroline |
64,543 | 31 | (2<i>R</i>,5<i>S</i>)-5-methyl-2-(propan-2-yl)cyclohexanone | IUPAC NAME | 1 | false | en | (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexanone |
64,541 | 31 | (2<i>R</i>,5<i>S</i>)-2-isopropyl-5-methylcyclohexanone | SYNONYM | 1 | false | en | (2R,5S)-2-isopropyl-5-methylcyclohexanone |
52 | 31 | (+)-Menthone | SYNONYM | 1 | false | en | (+)-Menthone |
64,542 | 31 | (1<i>S</i>,4<i>R</i>)-<em>p</em>-menthan-3-one | SYNONYM | 1 | false | en | (1S,4R)-p-menthan-3-one |
1,001,813 | 31 | (1<i>S</i>,4<i>R</i>)-menthone | UNIPROT NAME | 1 | false | en | (1S,4R)-menthone |
83,798 | 32 | (2<i>S</i>)-1-methyl-2-propylpiperidine | IUPAC NAME | 1 | false | en | (2S)-1-methyl-2-propylpiperidine |
53 | 32 | (+)-N-Methylconiine | SYNONYM | 1 | false | en | (+)-N-Methylconiine |
83,799 | 32 | Methylconiine | SYNONYM | 1 | false | en | Methylconiine |
828,873 | 32 | (<i>S</i>)-1-methyl-2-propylpiperidine | SYNONYM | 1 | false | en | (S)-1-methyl-2-propylpiperidine |
54 | 33 | (+)-Neomatatabiol | SYNONYM | 3 | false | en | (+)-Neomatatabiol |
57 | 36 | (+)-norephedrin | SYNONYM | 1 | false | en | (+)-norephedrin |
941,498 | 36 | (1<i>S</i>,2<i>R</i>)-2-amino-1-phenylpropan-1-ol | IUPAC NAME | 1 | false | en | (1S,2R)-2-amino-1-phenylpropan-1-ol |
941,492 | 36 | (+)-(1<i>S</i>,2<i>R</i>)-norephedrine | SYNONYM | 1 | false | en | (+)-(1S,2R)-norephedrine |
941,493 | 36 | <em>d</em>-phenylpropanolamine | SYNONYM | 1 | false | en | d-phenylpropanolamine |
941,495 | 36 | (1<i>S</i>,2<i>R</i>)-2-amino-1-phenyl-1-propanol | SYNONYM | 1 | false | en | (1S,2R)-2-amino-1-phenyl-1-propanol |
941,499 | 36 | <i>erythro</i>-α-(1-aminoethyl)benzyl alcohol | SYNONYM | 1 | false | en | erythro-alpha-(1-aminoethyl)benzyl alcohol |
889,831 | 36 | <em>d</em>-norephedrine | SYNONYM | 1 | false | en | d-norephedrine |
1,105,222 | 36 | (1<i>S</i>,2<i>R</i>)-(+)-2-amino-1-phenyl-1-propanol | SYNONYM | 1 | false | en | (1S,2R)-(+)-2-amino-1-phenyl-1-propanol |
1,105,217 | 36 | (+)-phenylpropanolamine | SYNONYM | 1 | false | en | (+)-phenylpropanolamine |
1,105,218 | 36 | (1<i>S</i>,2<i>R</i>)-norephedrine | SYNONYM | 1 | false | en | (1S,2R)-norephedrine |
1,105,219 | 36 | (2<i>R</i>,3<i>S</i>)-3-phenyl-3-hydroxy-2-aminopropane | SYNONYM | 1 | false | en | (2R,3S)-3-phenyl-3-hydroxy-2-aminopropane |
1,105,220 | 36 | (1<i>S</i>,2<i>R</i>)-(+)-norephedrine | SYNONYM | 1 | false | en | (1S,2R)-(+)-norephedrine |
1,105,221 | 36 | (1<i>S</i>,2<i>R</i>)-(+)-phenylpropanolamine | SYNONYM | 1 | false | en | (1S,2R)-(+)-phenylpropanolamine |
1,105,216 | 36 | <small>D</small>-(+)-norephedrine | SYNONYM | 1 | false | en | D-(+)-norephedrine |
59 | 37 | (+)-Nornicotine | SYNONYM | 3 | false | en | (+)-Nornicotine |
944,476 | 37 | (S)-2-(3-Pyridyl)pyrrolidine | SYNONYM | 3 | false | en | (S)-2-(3-Pyridyl)pyrrolidine |
944,474 | 37 | (+-)-1'-Demethylnicotine | SYNONYM | 3 | false | en | (+-)-1'-Demethylnicotine |
944,482 | 37 | Dl-Norcitine | SYNONYM | 3 | false | en | Dl-Norcitine |
944,481 | 37 | S-(-)-Nornicotine | SYNONYM | 3 | false | en | S-(-)-Nornicotine |
944,480 | 37 | L-Nor-nicotine | SYNONYM | 3 | false | en | L-Nor-nicotine |
944,479 | 37 | (+-)-Nornicotine | SYNONYM | 3 | false | en | (+-)-Nornicotine |
944,478 | 37 | 2-(3-Pyridyl)pyrrolidine | SYNONYM | 3 | false | en | 2-(3-Pyridyl)pyrrolidine |
944,477 | 37 | 3-(2-Pyrrolidinyl)pyridine | SYNONYM | 3 | false | en | 3-(2-Pyrrolidinyl)pyridine |
944,473 | 37 | (R)-3-(Pyrrolidin-2-yl)pyridine | SYNONYM | 3 | false | en | (R)-3-(Pyrrolidin-2-yl)pyridine |
944,475 | 37 | (+-)-3-(2-Pyrrolidinyl)pyridine | SYNONYM | 3 | false | en | (+-)-3-(2-Pyrrolidinyl)pyridine |
944,469 | 37 | 3-(pyrrolidin-2-yl)pyridine | SYNONYM | 3 | false | en | 3-(pyrrolidin-2-yl)pyridine |
944,470 | 37 | (R,S)-Nornicotine | SYNONYM | 3 | false | en | (R,S)-Nornicotine |
944,471 | 37 | Nornicotin | SYNONYM | 3 | false | en | Nornicotin |
944,472 | 37 | (+-)-1'-demethyl-Nicotine | SYNONYM | 3 | false | en | (+-)-1'-demethyl-Nicotine |
60 | 38 | (+)-O-Methylthalicberine | SYNONYM | 3 | false | en | (+)-O-Methylthalicberine |
61 | 38 | Thalmidine | SYNONYM | 3 | false | en | Thalmidine |
63 | 39 | Dextropimaric acid | SYNONYM | 3 | false | en | Dextropimaric acid |
62 | 39 | (+)-Pimaric acid | SYNONYM | 3 | false | en | (+)-Pimaric acid |
843,574 | 40 | 4,4'-(1<i>S</i>,3a<i>R</i>,4<i>S</i>,6a<i>R</i>)-tetrahydro-1<em>H</em>,3<em>H</em>-furo[3,4-<em>c</em>]furan-1,4-diylbis(2-methoxyphenol) | SYNONYM | 1 | false | en | 4,4'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol) |
843,577 | 40 | (7α,7'α,8α,8'α)-3,3'-dimethoxy-7,9':7',9-diepoxylignane-4,4'-diol | IUPAC NAME | 1 | false | en | (7alpha,7'alpha,8alpha,8'alpha)-3,3'-dimethoxy-7,9':7',9-diepoxylignane-4,4'-diol |
843,573 | 40 | pinoresinol | SYNONYM | 1 | true | en | pinoresinol |
843,549 | 40 | (+)-pinoresinol | UNIPROT NAME | 1 | false | en | (+)-pinoresinol |
92,310 | 41 | (<i>S</i>)-piperitone | SYNONYM | 1 | false | en | (S)-piperitone |
65 | 41 | (+)-Piperitone | SYNONYM | 1 | false | en | (+)-Piperitone |
66 | 41 | d-Piperitone | SYNONYM | 1 | false | en | d-Piperitone |
92,308 | 41 | alpha-Piperitone | SYNONYM | 1 | true | en | alpha-Piperitone |
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