| session |
{'_domain': None, '_path': '/', '_accessed_time': 1750471008.5057588, '_creation_time': 1750471008.5057588, 'initial_search_params': {'facet.field': ['organization', 'tags', 'res_format', 'license_id'], 'fq': [' owner_org:"5d8cf908-018e-4085-886f-62c28ac9772a" tags:"heteronuclear-single-quantum-coherence" -dataset_type:harvest', '+site_id:"default"', '+state:active', '+permission_labels:("public")'], 'q': '*:*', 'rows': 21, 'start': 0, 'df': 'text', 'mm': '5<-4 9<-90%', 'defType': 'edismax', 'bf': '0', 'qf': 'title^5 text', 'sort': 'score desc, metadata_modified desc', 'fl': 'id validated_data_dict', 'facet': 'true', 'facet.limit': '50', 'facet.mincount': 1, 'wt': 'json', 'tie': '0.1', 'q.op': 'AND', 'extras': {}}, 'search_results_final': {'count': 411, 'facets': {'organization': {'chemotion-repository': 411}, 'tags': {'heteronuclear-single-quantum-coherence': 411}, 'res_format': {'HTML': 411}, 'license_id': {'notspecified': 5}}, 'results': [{'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/FDLQZKYLHJJBHD-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '136.19428', 'id': '10-14272-fdlqzkylhjjbhd-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2', 'inchi_key': 'FDLQZKYLHJJBHD-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '[3-(aminomethyl)phenyl]methanamine', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-06-14T02:10:59.592842', 'metadata_modified': '2025-06-15T02:10:46.060479', 'metadata_published': '2025-06-12', 'mol_formula': 'C8H12N2', 'name': '10-14272-fdlqzkylhjjbhd-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'NCc1cccc(c1)CN', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/FDLQZKYLHJJBHD-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-06-15T02:10:46.075525', 'format': 'HTML', 'hash': '', 'id': 'fa076a07-4c77-4096-863c-a780c58c9162', 'last_modified': None, 'metadata_modified': '2025-06-15T02:10:46.065457', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-fdlqzkylhjjbhd-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/FDLQZKYLHJJBHD-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '298.064083841974 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '2025-05-24'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '05:51:42 UTC'}, {'variableMeasured_name': 'creator', 'variableMeasured_propertyID': 'NCIT_C42628', 'variableMeasured_value': 'Simone Gräßle '}, {'variableMeasured_name': 'Name', 'variableMeasured_propertyID': 'NCIT_C150832', 'variableMeasured_value': 'TopSpin'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'Avance NEO 400'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-3707'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '369528'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '31361dc6-642b-4d30-a64d-76bd0ff8af1e'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/BSKHPKMHTQYZBB-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '93.12648000000002', 'id': '10-14272-bskhpkmhtqyzbb-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3', 'inchi_key': 'BSKHPKMHTQYZBB-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '2-methylpyridine', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-06-14T02:10:55.042694', 'metadata_modified': '2025-06-15T02:10:42.363536', 'metadata_published': '2025-06-12', 'mol_formula': 'C6H7N', 'name': '10-14272-bskhpkmhtqyzbb-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'Cc1ccccn1', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/BSKHPKMHTQYZBB-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-06-15T02:10:42.376363', 'format': 'HTML', 'hash': '', 'id': 'cf508c21-263d-4ccf-882c-03bdec9c2cb9', 'last_modified': None, 'metadata_modified': '2025-06-15T02:10:42.368662', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-bskhpkmhtqyzbb-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/BSKHPKMHTQYZBB-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '298.03339289744 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '2025-05-15'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '00:38:30 UTC'}, {'variableMeasured_name': 'creator', 'variableMeasured_propertyID': 'NCIT_C42628', 'variableMeasured_value': 'Simone Gräßle '}, {'variableMeasured_name': 'Name', 'variableMeasured_propertyID': 'NCIT_C150832', 'variableMeasured_value': 'TopSpin'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'Avance NEO 400'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-3700'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '368290'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '6b341325-d286-46ab-b234-41fc0779423c'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/RCWIWNUVHNAUQC-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '124.1554632', 'id': '10-14272-rcwiwnuvhnauqc-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3', 'inchi_key': 'RCWIWNUVHNAUQC-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '1-fluoro-3,5-dimethylbenzene', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-06-14T02:10:34.305658', 'metadata_modified': '2025-06-15T02:10:23.788803', 'metadata_published': '2025-06-10', 'mol_formula': 'C8H9F', 'name': '10-14272-rcwiwnuvhnauqc-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'Cc1cc(C)cc(c1)F', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/RCWIWNUVHNAUQC-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-06-15T02:10:23.801248', 'format': 'HTML', 'hash': '', 'id': '45508d19-a451-4642-8ac0-b9339637b6fe', 'last_modified': None, 'metadata_modified': '2025-06-15T02:10:23.793846', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-rcwiwnuvhnauqc-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/RCWIWNUVHNAUQC-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '298.074653503847 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '2025-05-15'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '09:11:55 UTC'}, {'variableMeasured_name': 'creator', 'variableMeasured_propertyID': 'NCIT_C42628', 'variableMeasured_value': 'Simone Gräßle '}, {'variableMeasured_name': 'Name', 'variableMeasured_propertyID': 'NCIT_C150832', 'variableMeasured_value': 'TopSpin'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'Avance NEO 400'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-3703'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '368295'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '3cae5d15-1e3f-4a95-961f-c6dedcaf6f62'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/MTAODLNXWYIKSO-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '97.09036320000001', 'id': '10-14272-mtaodlnxwyikso-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H', 'inchi_key': 'MTAODLNXWYIKSO-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '2-fluoropyridine', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-06-14T02:10:30.403863', 'metadata_modified': '2025-06-15T02:10:21.324202', 'metadata_published': '2025-06-10', 'mol_formula': 'C5H4FN', 'name': '10-14272-mtaodlnxwyikso-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'Fc1ccccn1', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/MTAODLNXWYIKSO-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-06-15T02:10:21.337609', 'format': 'HTML', 'hash': '', 'id': '42fe7311-fbd1-452a-883f-7fbbd018c22e', 'last_modified': None, 'metadata_modified': '2025-06-15T02:10:21.329335', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-mtaodlnxwyikso-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/MTAODLNXWYIKSO-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '298.0620477598 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '2025-05-14'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '19:53:56 UTC'}, {'variableMeasured_name': 'creator', 'variableMeasured_propertyID': 'NCIT_C42628', 'variableMeasured_value': 'Simone Gräßle '}, {'variableMeasured_name': 'Name', 'variableMeasured_propertyID': 'NCIT_C150832', 'variableMeasured_value': 'TopSpin'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'Avance NEO 400'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-3701'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '368291'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'f97eeb93-7697-4a28-8b20-3e7d4499b5c0'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Caroline Röttger', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/PRTBXQJUAQFMRV-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '405.5292399999999', 'id': '10-14272-prtbxqjuaqfmrv-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C26H31NO3/c1-3-4-10-26(11-6-5-7-12-26)21-17-23(29-2)22-16-20(25(28)30-24(22)18-21)15-19-8-13-27-14-9-19/h8-9,13-14,16-18H,3-7,10-12,15H2,1-2H3', 'inchi_key': 'PRTBXQJUAQFMRV-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '7-(1-butylcyclohexyl)-5-methoxy-3-(pyridin-4-ylmethyl)chromen-2-one', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-06-07T02:00:56.247561', 'metadata_modified': '2025-06-07T02:08:48.109592', 'metadata_published': '2025-06-02', 'mol_formula': 'C26H31NO3', 'name': '10-14272-prtbxqjuaqfmrv-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'CCCCC1(CCCCC1)c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccncc1', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/PRTBXQJUAQFMRV-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-06-07T02:08:48.123490', 'format': 'HTML', 'hash': '', 'id': '19f0283b-90cf-4413-b927-0344fe03a3be', 'last_modified': None, 'metadata_modified': '2025-06-07T02:08:48.115030', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-prtbxqjuaqfmrv-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/PRTBXQJUAQFMRV-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '298.4 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgpsisp2.3'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '4'}, {'variableMeasured_name': 'title', 'variableMeasured_propertyID': 'NCIT_C19067', 'variableMeasured_value': 'Jul12-2024'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '20240713'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '22.56 h'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'Avance NEO'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CSR-284'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '315179'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CD2Cl2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'a77c5f53-72c0-4136-95df-3e7b5a0772be'}, {'key': 'harvest_source_id', 'value': '495039f8-f23d-49bf-9b7c-d2c89de4d3d1'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger'}]}, {'author': 'Caroline Röttger', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/HLHBABUSHMMJMG-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '405.5292399999999', 'id': '10-14272-hlhbabushmmjmg-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C26H31NO3/c1-3-4-11-26(12-7-5-8-13-26)20-17-23(29-2)22-16-19(25(28)30-24(22)18-20)15-21-10-6-9-14-27-21/h6,9-10,14,16-18H,3-5,7-8,11-13,15H2,1-2H3', 'inchi_key': 'HLHBABUSHMMJMG-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '7-(1-butylcyclohexyl)-5-methoxy-3-(pyridin-2-ylmethyl)chromen-2-one', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-06-07T02:00:42.063802', 'metadata_modified': '2025-06-07T02:08:34.046667', 'metadata_published': '2025-06-02', 'mol_formula': 'C26H31NO3', 'name': '10-14272-hlhbabushmmjmg-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'CCCCC1(CCCCC1)c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccccn1', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/HLHBABUSHMMJMG-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-06-07T02:08:34.060303', 'format': 'HTML', 'hash': '', 'id': '58ea5194-a871-4ebf-865c-20cc1e425c0e', 'last_modified': None, 'metadata_modified': '2025-06-07T02:08:34.052730', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-hlhbabushmmjmg-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/HLHBABUSHMMJMG-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '298.0 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgpsisp2.3'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '4'}, {'variableMeasured_name': 'title', 'variableMeasured_propertyID': 'NCIT_C19067', 'variableMeasured_value': 'Aug07-2024'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '20240808'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '5.38 h'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'Avance NEO'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CSR-302'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '317348'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CD2Cl2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '6d522fa1-0568-43ff-af08-3e8592d856a3'}, {'key': 'harvest_source_id', 'value': '495039f8-f23d-49bf-9b7c-d2c89de4d3d1'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/YJTXQLYMECWULH-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '112.1050032', 'id': '10-14272-yjtxqlymecwulh-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)', 'inchi_key': 'YJTXQLYMECWULH-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '5-fluoropyridin-2-amine', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-05-25T02:18:30.249139', 'metadata_modified': '2025-05-25T02:30:38.989420', 'metadata_published': '2025-05-21', 'mol_formula': 'C5H5FN2', 'name': '10-14272-yjtxqlymecwulh-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'Nc1ccc(cn1)F', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/YJTXQLYMECWULH-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-05-25T02:30:39.004297', 'format': 'HTML', 'hash': '', 'id': 'eed3af82-a54e-4a24-b9e1-bd6b02a251c7', 'last_modified': None, 'metadata_modified': '2025-05-25T02:30:38.995787', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-yjtxqlymecwulh-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/YJTXQLYMECWULH-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '1ae3e011-257f-4ba3-b675-3fc811aaaa62'}, {'key': 'harvest_source_id', 'value': '495039f8-f23d-49bf-9b7c-d2c89de4d3d1'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/ZLMKEENUYIUKKC-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '232.06153', 'id': '10-14272-zlmkeenuyiukkc-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3', 'inchi_key': 'ZLMKEENUYIUKKC-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '1-iodo-3,5-dimethylbenzene', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-05-18T02:13:41.270592', 'metadata_modified': '2025-05-18T02:19:41.494860', 'metadata_published': '2025-05-16', 'mol_formula': 'C8H9I', 'name': '10-14272-zlmkeenuyiukkc-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'Cc1cc(C)cc(c1)I', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/ZLMKEENUYIUKKC-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-05-18T02:19:41.508979', 'format': 'HTML', 'hash': '', 'id': 'b9aba59f-9b49-42ac-bde1-87384445ca38', 'last_modified': None, 'metadata_modified': '2025-05-18T02:19:41.500397', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-zlmkeenuyiukkc-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/ZLMKEENUYIUKKC-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '298.033752206059 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '2025-05-15'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '03:11:54 UTC'}, {'variableMeasured_name': 'creator', 'variableMeasured_propertyID': 'NCIT_C42628', 'variableMeasured_value': 'Simone Gräßle '}, {'variableMeasured_name': 'Name', 'variableMeasured_propertyID': 'NCIT_C150832', 'variableMeasured_value': 'TopSpin'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'Avance NEO 400'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-3702'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '368293'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '5c43a361-8548-4bc2-a03d-37713ba71d5a'}, {'key': 'harvest_source_id', 'value': '495039f8-f23d-49bf-9b7c-d2c89de4d3d1'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/QVTPWONEVZJCCS-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '131.1314', 'id': '10-14272-qvtpwonevzjccs-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H', 'inchi_key': 'QVTPWONEVZJCCS-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '2-formylbenzonitrile', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-04-26T02:03:51.329528', 'metadata_modified': '2025-04-27T02:13:12.043153', 'metadata_published': '2025-04-24', 'mol_formula': 'C8H5NO', 'name': '10-14272-qvtpwonevzjccs-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'N#Cc1ccccc1C=O', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/QVTPWONEVZJCCS-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-27T02:13:12.057176', 'format': 'HTML', 'hash': '', 'id': 'e02aa14f-0ce4-4f4b-ab4a-cbfef7e9c847', 'last_modified': None, 'metadata_modified': '2025-04-27T02:13:12.048520', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-qvtpwonevzjccs-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/QVTPWONEVZJCCS-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'c753fc20-3ac4-49bf-b534-4e2a86a69089'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/WBPAOUHWPONFEQ-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '189.03864000000002', 'id': '10-14272-wbpaouhwponfeq-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3', 'inchi_key': 'WBPAOUHWPONFEQ-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '1-(3,4-dichlorophenyl)ethanone', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-04-26T02:03:38.466791', 'metadata_modified': '2025-04-27T02:13:01.418536', 'metadata_published': '2025-04-24', 'mol_formula': 'C8H6Cl2O', 'name': '10-14272-wbpaouhwponfeq-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'CC(=O)c1ccc(c(c1)Cl)Cl', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/WBPAOUHWPONFEQ-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-27T02:13:01.432138', 'format': 'HTML', 'hash': '', 'id': '26099cdb-cdab-4a2a-844d-0d5bfda40147', 'last_modified': None, 'metadata_modified': '2025-04-27T02:13:01.423865', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-wbpaouhwponfeq-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/WBPAOUHWPONFEQ-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'd03a6d1d-c5c3-49b0-9eeb-d5f060353c73'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/MZBXSQBQPJWECM-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '277.94064', 'id': '10-14272-mzbxsqbqpjwecm-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2', 'inchi_key': 'MZBXSQBQPJWECM-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '2-bromo-1-(3-bromophenyl)ethanone', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-04-26T02:03:25.208324', 'metadata_modified': '2025-04-27T02:12:50.761134', 'metadata_published': '2025-04-24', 'mol_formula': 'C8H6Br2O', 'name': '10-14272-mzbxsqbqpjwecm-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'BrCC(=O)c1cccc(c1)Br', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/MZBXSQBQPJWECM-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-27T02:12:50.774084', 'format': 'HTML', 'hash': '', 'id': 'c1532101-c3fc-4d54-9026-86162ad6432f', 'last_modified': None, 'metadata_modified': '2025-04-27T02:12:50.766139', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-mzbxsqbqpjwecm-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/MZBXSQBQPJWECM-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'e8d121d9-e767-45e7-8244-f981d0e005f1'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '55.0785', 'id': '10-14272-jkanavgodyycqf-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2', 'inchi_key': 'JKANAVGODYYCQF-UHFFFAOYSA-N', 'isopen': False, 'iupacName': 'prop-2-yn-1-amine', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-04-26T02:03:15.085830', 'metadata_modified': '2025-04-27T02:12:41.649117', 'metadata_published': '2025-04-24', 'mol_formula': 'C3H5N', 'name': '10-14272-jkanavgodyycqf-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'NCC#C', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-27T02:12:41.662362', 'format': 'HTML', 'hash': '', 'id': '3634f7e2-1069-4d04-98be-1a2ededb1643', 'last_modified': None, 'metadata_modified': '2025-04-27T02:12:41.654763', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-jkanavgodyycqf-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '27fe4d1e-5ea9-424f-a09c-e485d68697b3'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/UFPBMVRONDLOGK-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '138.13898319999998', 'id': '10-14272-ufpbmvrondlogk-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C8H7FO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3', 'inchi_key': 'UFPBMVRONDLOGK-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '3-fluoro-4-methylbenzaldehyde', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-04-13T02:13:14.599531', 'metadata_modified': '2025-04-13T02:13:14.599536', 'metadata_published': '2025-04-10', 'mol_formula': 'C8H7FO', 'name': '10-14272-ufpbmvrondlogk-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'O=Cc1ccc(c(c1)F)C', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/UFPBMVRONDLOGK-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-13T02:13:14.606203', 'format': 'HTML', 'hash': '', 'id': '50f06c7a-2324-4df2-97f0-19f88273c333', 'last_modified': None, 'metadata_modified': '2025-04-13T02:13:14.595072', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-ufpbmvrondlogk-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/UFPBMVRONDLOGK-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '300.1 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'title', 'variableMeasured_propertyID': 'NCIT_C19067', 'variableMeasured_value': 'CCP-3828'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '20250214'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '17.55 h'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'spect'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-3672'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '344565'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'chloroform-D1 (CDCl3)'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'fd476e66-10e1-4071-8e3c-d356ff1b1f74'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Fabian Schönle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/SHNUBALDGXWUJI-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '109.12588000000001', 'id': '10-14272-shnubaldgxwuji-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2', 'inchi_key': 'SHNUBALDGXWUJI-UHFFFAOYSA-N', 'isopen': False, 'iupacName': 'pyridin-2-ylmethanol', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-04-06T02:03:48.589058', 'metadata_modified': '2025-04-06T02:18:52.291099', 'metadata_published': '2025-04-05', 'mol_formula': 'C6H7NO', 'name': '10-14272-shnubaldgxwuji-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'OCc1ccccn1', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/SHNUBALDGXWUJI-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-06T02:18:52.304176', 'format': 'HTML', 'hash': '', 'id': '6b4bf80e-e21d-45c9-88e4-df99a22e0d65', 'last_modified': None, 'metadata_modified': '2025-04-06T02:18:52.296535', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-shnubaldgxwuji-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/SHNUBALDGXWUJI-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '8d146dfd-88f2-4131-83fd-54738733142a'}, {'key': 'harvest_source_id', 'value': '495039f8-f23d-49bf-9b7c-d2c89de4d3d1'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger'}]}, {'author': 'Fabian Schönle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/KJOQMWRTNVBXEV-UHFFFAOYSA-N/CHMO0000604.1', 'exactmass': '283.89249', 'id': '10-14272-kjoqmwrtnvbxev-uhfffaoysa-n-chmo0000604-1', 'inchi': 'InChI=1S/C5H3BrIN/c6-4-2-1-3-5(7)8-4/h1-3H', 'inchi_key': 'KJOQMWRTNVBXEV-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '2-bromo-6-iodopyridine', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-04-06T02:00:26.540245', 'metadata_modified': '2025-04-06T02:15:24.596649', 'metadata_published': '2025-04-02', 'mol_formula': 'C5H3BrIN', 'name': '10-14272-kjoqmwrtnvbxev-uhfffaoysa-n-chmo0000604-1', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'Brc1cccc(n1)I', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/KJOQMWRTNVBXEV-UHFFFAOYSA-N/CHMO0000604.1', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-06T02:15:24.609476', 'format': 'HTML', 'hash': '', 'id': '3a0c76ea-7660-474a-afa0-722c86848a34', 'last_modified': None, 'metadata_modified': '2025-04-06T02:15:24.601745', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-kjoqmwrtnvbxev-uhfffaoysa-n-chmo0000604-1', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/KJOQMWRTNVBXEV-UHFFFAOYSA-N/CHMO0000604.1', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'ac7c5851-995e-4054-831f-a00f388d42ca'}, {'key': 'harvest_source_id', 'value': '495039f8-f23d-49bf-9b7c-d2c89de4d3d1'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger'}]}, {'author': 'Laura Holzhauer', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '287.35837999999995', 'id': '10-14272-bhexwvnddwqkfm-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C19H17N3/c1-13(2)18-19-20-12-17(14-8-4-3-5-9-14)22(19)16-11-7-6-10-15(16)21-18/h3-13H,1-2H3', 'inchi_key': 'BHEXWVNDDWQKFM-UHFFFAOYSA-N', 'isopen': False, 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-03-15T03:12:08.442716', 'metadata_modified': '2025-03-16T03:11:14.310743', 'metadata_published': '2025-03-14', 'mol_formula': 'C19H17N3', 'name': '10-14272-bhexwvnddwqkfm-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'CC(c1nc2ccccc2n2c1ncc2c1ccccc1)C', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-03-16T03:11:14.334205', 'format': 'HTML', 'hash': '', 'id': '8afae671-d89d-4c78-9c65-99372ba4935c', 'last_modified': None, 'metadata_modified': '2025-03-16T03:11:14.319343', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-bhexwvnddwqkfm-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '300.1 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'title', 'variableMeasured_propertyID': 'NCIT_C19067', 'variableMeasured_value': 'KSS-R21-5-8'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '20231207'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '7.22 h'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'spect'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'KSS-60'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '285110'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'chloroform-D1 (CDCl3)'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '59349a58-1453-4acc-998f-a04b422f34c0'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/OTXINXDGSUFPNU-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '162.22825999999998', 'id': '10-14272-otxinxdgsufpnu-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3', 'inchi_key': 'OTXINXDGSUFPNU-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '4-tert-butylbenzaldehyde', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-03-02T03:11:04.059875', 'metadata_modified': '2025-03-02T03:11:04.059883', 'metadata_published': '2025-02-28', 'mol_formula': 'C11H14O', 'name': '10-14272-otxinxdgsufpnu-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'O=Cc1ccc(cc1)C(C)(C)C', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/OTXINXDGSUFPNU-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-03-02T03:11:04.062613', 'format': 'HTML', 'hash': '', 'id': '9d2e9310-a073-4882-8a32-c6a2b6054230', 'last_modified': None, 'metadata_modified': '2025-03-02T03:11:04.054475', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-otxinxdgsufpnu-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/OTXINXDGSUFPNU-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '300.1 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'title', 'variableMeasured_propertyID': 'NCIT_C19067', 'variableMeasured_value': 'CCP-913'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '20250213'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '20.20 h'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'spect'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-877'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '138113'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'chloroform-D1 (CDCl3)'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '4455fd16-6207-4d15-9249-2ff41db4d4ea'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/BYQFBFWERHXONI-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '202.24752', 'id': '10-14272-byqfbfwerhxoni-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3', 'inchi_key': 'BYQFBFWERHXONI-UHFFFAOYSA-N', 'isopen': False, 'iupacName': 'diethyl 2-propan-2-ylpropanedioate', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-03-02T03:10:42.868487', 'metadata_modified': '2025-03-02T03:10:42.868494', 'metadata_published': '2025-02-28', 'mol_formula': 'C10H18O4', 'name': '10-14272-byqfbfwerhxoni-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'CCOC(=O)C(C(=O)OCC)C(C)C', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/BYQFBFWERHXONI-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-03-02T03:10:42.871158', 'format': 'HTML', 'hash': '', 'id': '8a1a92af-ca0a-40b2-8913-89cc21df312e', 'last_modified': None, 'metadata_modified': '2025-03-02T03:10:42.863260', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-byqfbfwerhxoni-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/BYQFBFWERHXONI-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '0ffcbfb2-cd72-4f51-ba83-ee2a6776f8e3'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/NRFKZFFVTGGEQF-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '138.13898319999998', 'id': '10-14272-nrfkzffvtggeqf-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3', 'inchi_key': 'NRFKZFFVTGGEQF-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '4-fluoro-3-methylbenzaldehyde', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-03-02T03:10:30.162640', 'metadata_modified': '2025-03-02T03:10:30.162647', 'metadata_published': '2025-02-28', 'mol_formula': 'C8H7FO', 'name': '10-14272-nrfkzffvtggeqf-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'O=Cc1ccc(c(c1)C)F', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/NRFKZFFVTGGEQF-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-03-02T03:10:30.176597', 'format': 'HTML', 'hash': '', 'id': '24c141c7-1b98-4320-af3d-5a43ffd76419', 'last_modified': None, 'metadata_modified': '2025-03-02T03:10:30.157103', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-nrfkzffvtggeqf-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/NRFKZFFVTGGEQF-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '300.1 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'title', 'variableMeasured_propertyID': 'NCIT_C19067', 'variableMeasured_value': 'CCP-3825'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '20250214'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '11.05 h'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'spect'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-3669'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '344562'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'chloroform-D1 (CDCl3)'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '2539886f-6fb9-4d83-a16f-d2e896fac531'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}, {'author': 'Simone Gräßle', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.14272/JPHKMYXKNKLNDF-UHFFFAOYSA-N/CHMO0000604', 'exactmass': '142.10286639999998', 'id': '10-14272-jphkmyxknklndf-uhfffaoysa-n-chmo0000604', 'inchi': 'InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H', 'inchi_key': 'JPHKMYXKNKLNDF-UHFFFAOYSA-N', 'isopen': False, 'iupacName': '3,4-difluorobenzaldehyde', 'language': 'english', 'license_title': None, 'maintainer': 'Chemotion Repository', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000604', 'metadata_created': '2025-03-02T03:10:17.455577', 'metadata_modified': '2025-03-02T03:10:17.455584', 'metadata_published': '2025-02-28', 'mol_formula': 'C7H4F2O', 'name': '10-14272-jphkmyxknklndf-uhfffaoysa-n-chmo0000604', 'notes': 'dataset for heteronuclear single quantum coherence (HSQC)\\n\\n', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '5d8cf908-018e-4085-886f-62c28ac9772a', 'name': 'chemotion-repository', 'title': 'Chemotion - Repository ', 'type': 'repository', 'description': 'The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and 1913 Mass Spectra) of 2881 unique compounds and 1162 reactions', 'image_url': 'Chemotion-ELN-V1.png', 'created': '2022-04-29T09:38:43.469202', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '5d8cf908-018e-4085-886f-62c28ac9772a', 'private': False, 'related_molecule': '[]', 'smiles': 'O=Cc1ccc(c(c1)F)F', 'state': 'active', 'title': 'heteronuclear single quantum coherence (HSQC)', 'type': 'dataset', 'url': 'https://www.chemotion-repository.net/inchikey/JPHKMYXKNKLNDF-UHFFFAOYSA-N/CHMO0000604', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-03-02T03:10:17.467473', 'format': 'HTML', 'hash': '', 'id': 'b18a89b8-30aa-421e-9598-478c5f977603', 'last_modified': None, 'metadata_modified': '2025-03-02T03:10:17.450140', 'mimetype': None, 'mimetype_inner': None, 'name': 'heteronuclear single quantum coherence (HSQC)', 'package_id': '10-14272-jphkmyxknklndf-uhfffaoysa-n-chmo0000604', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://www.chemotion-repository.net/inchikey/JPHKMYXKNKLNDF-UHFFFAOYSA-N/CHMO0000604', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'temperature', 'variableMeasured_propertyID': 'NMR:1400025', 'variableMeasured_value': '300.1 K'}, {'variableMeasured_name': 'PULPROG', 'variableMeasured_propertyID': 'NMR:1400037', 'variableMeasured_value': 'hsqcedetgp'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'title', 'variableMeasured_propertyID': 'NCIT_C19067', 'variableMeasured_value': 'CCP-3826'}, {'variableMeasured_name': 'date', 'variableMeasured_propertyID': 'NCIT_C25164', 'variableMeasured_value': '20250214'}, {'variableMeasured_name': 'starting time', 'variableMeasured_propertyID': 'NCIT_C25207', 'variableMeasured_value': '14.45 h'}, {'variableMeasured_name': 'instrument', 'variableMeasured_propertyID': 'NMR:1000463', 'variableMeasured_value': 'spect'}, {'variableMeasured_name': 'label', 'variableMeasured_propertyID': 'NCIT_C45561', 'variableMeasured_value': 'CCP-3670'}, {'variableMeasured_name': 'id', 'variableMeasured_propertyID': 'NCIT_C25364', 'variableMeasured_value': '344563'}, {'variableMeasured_name': 'Solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'chloroform-D1 (CDCl3)'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '831e544b-41cf-4470-99f9-6a12fa1989f2'}, {'key': 'harvest_source_id', 'value': 'a80a470f-c9df-49da-84c6-3e6a7a84fecb'}, {'key': 'harvest_source_title', 'value': 'chemotion-repo-swagger-2.0'}]}], 'sort': 'score desc, metadata_modified desc', 'search_facets': {'organization': {'title': 'organization', 'items': [{'name': 'chemotion-repository', 'display_name': 'Chemotion - Repository ', 'count': 411}]}, 'tags': {'title': 'tags', 'items': [{'name': 'heteronuclear-single-quantum-coherence', 'display_name': 'heteronuclear-single-quantum-coherence', 'count': 411}]}, 'res_format': {'title': 'res_format', 'items': [{'name': 'HTML', 'display_name': 'HTML', 'count': 411}]}, 'license_id': {'title': 'license_id', 'items': [{'name': 'notspecified', 'display_name': 'License Not Specified', 'count': 5}]}}}, 'search_params': None} |
