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yujieq
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TextReact

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train

The full dataset viewer is not available (click to read why). Only showing a preview of the rows.

The dataset generation failed because of a cast error

Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 1 missing columns ({'dataset'})

This happened while the csv dataset builder was generating data using

zip://RCR_TS/test.csv::/tmp/hf-datasets-cache/medium/datasets/71725403232132-config-parquet-and-info-yujieq-TextReact-101a03a9/downloads/04160d5706aa2d2d45ba8946b97b90f547ef4e9372f11f751da5091db3b732b5

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2011, in _prepare_split_single
                  writer.write_table(table)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 585, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2302, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2256, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              id: string
              corpus_id: string
              source: string
              canonical_rxn: string
              catalyst1: string
              solvent1: string
              solvent2: string
              reagent1: string
              reagent2: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1305
              to
              {'id': Value(dtype='string', id=None), 'corpus_id': Value(dtype='string', id=None), 'source': Value(dtype='string', id=None), 'canonical_rxn': Value(dtype='string', id=None), 'catalyst1': Value(dtype='string', id=None), 'solvent1': Value(dtype='string', id=None), 'solvent2': Value(dtype='string', id=None), 'reagent1': Value(dtype='string', id=None), 'reagent2': Value(dtype='string', id=None), 'dataset': Value(dtype='string', id=None)}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1321, 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 935, in convert_to_parquet
                  builder.download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1027, in download_and_prepare
                  self._download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1122, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1882, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2013, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 1 missing columns ({'dataset'})
              
              This happened while the csv dataset builder was generating data using
              
              zip://RCR_TS/test.csv::/tmp/hf-datasets-cache/medium/datasets/71725403232132-config-parquet-and-info-yujieq-TextReact-101a03a9/downloads/04160d5706aa2d2d45ba8946b97b90f547ef4e9372f11f751da5091db3b732b5
              
              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 string	corpus_id string	source string	canonical_rxn string	catalyst1 null	solvent1 string	solvent2 string	reagent1 string	reagent2 null	dataset string
US04456752_2	US04456752_2	US04456752	CCOC(=O)c1cnc2n(c1=O)C(C)CCC2(Br)Br.NNC(=O)c1ccc2c(c1)OCO2>>CCOC(=O)c1cnc2n(c1=O)C(C)CCC2=NNC(=O)c1ccc2c(c1)OCO2	null	c1ccncc1	null	null	null	test
US04038405_0	US04038405_0	US04038405	CCOC(=O)C(F)(F)F.CCOC=Nc1ccc(Cl)cc1.NN>>FC(F)(F)c1nncn1-c1ccc(Cl)cc1	null	CCO	O	null	null	test
US20140315881A1_157	US20140315881A1_157	US20140315881A1	C#CC(=O)OCC.Cc1ccc(C(NC(=O)Cc2ccc3oc(C(=O)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1>>CCOC(=O)C#CC(O)(c1cc2cc(CC(=O)NC(c3ccccc3)c3ccc(C)cc3C)ccc2o1)c1c(C)noc1C	null	C1CCOC1	null	C[Si](C)(C)[N-][Si](C)(C)C.[Li+]	null	test
US07199243B2_70	US07199243B2_70	US07199243B2	CCOC(=O)CNc1cc(C2CCCNC2)ccc1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O>>CCOC(=O)CNc1cc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)ccc1C	null	ClCCl	null	CCN=C=NCCCN(C)C	null	test
US07799814B2_18	US07799814B2_18	US07799814B2	NNC(=O)c1ccc([N+](=O)[O-])cc1.O=C(n1ccnc1)n1ccnc1>>O=[N+]([O-])c1ccc(-c2nnc(O)o2)cc1	null	CN(C)C=O	ClCCl	CCN(CC)CC	null	test
US06436171B1_0	US06436171B1_0	US06436171B1	Cc1ccccc1.NCCN.O=Cc1ccccc1O>>Oc1ccccc1C=NCCN=Cc1ccccc1O	null	Cc1ccccc1	null	CC(=O)O	null	test
US07414076B2_16	US07414076B2_16	US07414076B2	COc1cccc(CN)c1OC.O=S1(=O)CCCO1>>COc1cccc(CNCCCS(=O)(=O)O)c1OC	null	CCC(C)=O	null	null	null	test
US08143263B2_33	US08143263B2_33	US08143263B2	COC[C@H](C)OC[C@H](O)C(=O)Nc1ccc(C)cn1.Clc1ccccc1-n1ncc2c(Cl)ncnc21>>COC[C@H](C)OC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1	null	C1CCOC1	CCOC(C)=O	[H-].[Na+]	null	test
US06090846_1	US06090846_1	US06090846	CC(C)(C)OC(=O)N=COCNCCC[C@H](N)C(=O)OC(C)(C)C.Cl.Cl>>Cl.Cl.N=COCNCCC[C@H](N)C(=O)O	null	C1COCCO1	null	N#N	null	test
US20070191431A1_3	US20070191431A1_3	US20070191431A1	CN1C(=O)C(c2ccncc2)(c2cccc(-c3ccccc3)c2)N=C1N.Cl>>CN1C(=O)C(c2cccc(C3CCCCC3)c2)(C2CCNCC2)N=C1N.Cl	null	CCO	null	null	null	test
US20110301122A1_16	US20110301122A1_16	US20110301122A1	CC(C)NC(C)C.N#Cc1ccc(CBr)cc1>>CC(C)N(Cc1ccc(C#N)cc1)C(C)C	null	Cc1ccccc1	null	null	null	test
US06413995B1_26	US06413995B1_26	US06413995B1	CCOC(=O)C(F)(F)F.Nc1ccc(C=CC(=O)O)cc1>>O=C(O)C=Cc1ccc(NC(=O)C(F)(F)F)cc1	null	CO	null	CCN(CC)CC	null	test
US08927688B2_27	US08927688B2_27	US08927688B2	Nc1nnc(Br)s1.O=C(CBr)c1cc2c(OCc3csc(-c4ccccc4)n3)cc(F)cc2o1>>Fc1cc(OCc2csc(-c3ccccc3)n2)c2cc(-c3cn4nc(Br)sc4n3)oc2c1	null	CC(C)O	null	ClCCl	null	test
US06184242B2_12	US06184242B2_12	US06184242B2	Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1.O=C1CCC(=O)N1Br>>O=C(c1ccc(CBr)cc1)c1ccc([N+](=O)[O-])cc1	null	ClC(Cl)(Cl)Cl	null	null	null	test
US08440658B2_0	US08440658B2_0	US08440658B2	C[C@H](N)C(C)(C)C.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl>>C[C@H](N=C=O)C(C)(C)C	null	ClCCl	null	OC(=O)[O-].[Na+]	null	test
US08110579B2_6	US08110579B2_6	US08110579B2	CCOC(=O)c1ccc(-c2c(OC)cccc2OC)c(-c2ccc(Cl)c(OCCCN(C)C)c2)n1>>COc1cccc(OC)c1-c1ccc(C(=O)O)nc1-c1ccc(Cl)c(OCCCN(C)C)c1	null	CCO	null	Cl	null	test
US09199939B2_2	US09199939B2_2	US09199939B2	O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2n1.O=C(OO)c1cccc(Cl)c1>>O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2[n+]1[O-]	null	ClCCl	null	null	null	test
US08552027B2_2	US08552027B2_2	US08552027B2	BrC(C=Nc1ccccc1)=C[NH2+]c1ccccc1.O=C(O)CS.[Br-]>>O=C(O)CSC(C=Nc1ccccc1)=C[NH2+]c1ccccc1.[Br-]	null	CO	O	Cl	null	test
US08263635B2_97	US08263635B2_97	US08263635B2	Cc1ccncc1N1CCNC1=O.Cc1nc2cc(Br)ccc2o1>>Cc1nc2cc(N3CCN(c4cnccc4C)C3=O)ccc2o1	null	C1COCCO1	null	N[C@@H]1CCCC[C@H]1N	null	test
US09255090B2_26	US09255090B2_26	US09255090B2	CC(=O)Oc1ccc(OC(C)C)cc1.O=C1CCC(=O)N1Br>>CC(=O)Oc1ccc(OC(C)C)c(Br)c1	null	CC#N	null	null	null	test
US04443466_9	US04443466_9	US04443466	Cc1ccccc1Cc1cn(Cc2ccccc2)cn1>>Cc1ccccc1Cc1c[nH]cn1	null	CCO	null	[H][H]	null	test
US04670438_0	US04670438_0	US04670438	COc1cc(OS(C)(=O)=O)ccc1-c1nc2ncccc2[nH]1.OO>>COc1cc(OS(C)(=O)=O)ccc1-c1nc2c(ccc[n+]2[O-])[nH]1	null	O=C(O)C(F)(F)F	null	null	null	test
US06521643B1_39	US06521643B1_39	US06521643B1	Cc1ccnc(C(=O)C(C)Cl)c1.NC(=S)N=C(N)N>>Cc1ccnc(-c2nc(NC(=N)N)sc2C)c1	null	CCO	null	null	null	test
US20140288051A1_82	US20140288051A1_82	US20140288051A1	Cn1ncc2c1CC(C(=O)OC(C)(C)C)CN2O.O=C1c2ccccc2C(=O)N1O>>Cn1ncc2c1CN(C(=O)OC(C)(C)C)CC2ON1C(=O)c2ccccc2C1=O	null	C1CCOC1	null	CC(C)OC(=O)/N=N/C(=O)OC(C)C	null	test
US20120059002A1_98	US20120059002A1_98	US20120059002A1	COc1ccc2c(=O)[nH]c(-c3cc(C)c(OCCO[Si](C)(C)C(C)(C)C)c(C)c3)nc2c1>>COc1ccc2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	null	O	null	CCCC[N+](CCCC)(CCCC)CCCC.[F-]	null	test
US20160264579A1_13	US20160264579A1_13	US20160264579A1	CC(C)(C)[Si](C)(C)Cl.COC(=O)c1cccn([C@@H](CO)c2ccccc2)c1=O>>COC(=O)c1cccn([C@@H](CO[Si](C)(C)C(C)(C)C)c2ccccc2)c1=O	null	ClCCl	null	c1c[nH]cn1	null	test
US20090124636A1_1	US20090124636A1_1	US20090124636A1	N[C@@H]1CCN(Cc2ccccc2)C1.O=Cc1ccccc1>>c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1	null	ClCCl	null	CC(=O)O	null	test
US08524766B2_42	US08524766B2_42	US08524766B2	Cc1ccc(S(=O)(=O)OCC2COc3c(F)cc(S(C)(=O)=O)cc3O2)cc1.NCCO>>CS(=O)(=O)c1cc(F)c2c(c1)OC(CNCCO)CO2	null	CC#N	null	null	null	test
US08846702B2_24	US08846702B2_24	US08846702B2	O=C([O-])C(F)(F)Cl.O=c1c2cc(Cc3ccc(O)nc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O>>O=c1c2cc(Cc3ccc(OC(F)F)nc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O	null	CC#N	CCOC(C)=O	CN(C)C=O	null	test
US08475937B2_2	US08475937B2_2	US08475937B2	C=CCc1ccc(C)s1.Cl[SiH](Cl)Cl>>Cc1ccc(CCC[Si](Cl)(Cl)Cl)s1	null	Cc1ccccc1	null	null	null	test
US20150361060A1_7	US20150361060A1_7	US20150361060A1	NCC(=O)N1C2CCCC1CC2>>NCCN1C2CCCC1CC2	null	C1CCOC1	null	[Al+3].[H-].[H-].[H-].[H-].[Li+]	null	test
US07517906B2_8	US07517906B2_8	US07517906B2	CC(C)(C)OC(=O)NC(C(=O)N1CCCC1Cc1cn(CCOCCn2cc(CC3CCCN3C(=O)C(NC(=O)OC(C)(C)C)C3CCCCC3)c3ccccc32)c2ccccc12)C1CCCCC1>>NC(C(=O)N1CCCC1Cc1cn(CCOCCn2cc(CC3CCCN3C(=O)C(N)C3CCCCC3)c3ccccc32)c2ccccc12)C1CCCCC1	null	ClCCl	null	O=C(O)C(F)(F)F	null	test
US07226923B2_8	US07226923B2_8	US07226923B2	CC(C)n1nc(Br)c2ccc(S)cc2c1=O.CI>>CSc1ccc2c(Br)nn(C(C)C)c(=O)c2c1	null	C1CCOC1	null	[H-].[Na+]	null	test
US08129361B2_138	US08129361B2_138	US08129361B2	CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccc(F)cc3F)c(C(F)(F)F)c2)COC(C)(C)OC1.Cl>>Cl.NC(CO)(CO)CCc1ccc(OCCCc2ccc(F)cc2F)c(C(F)(F)F)c1	null	CCO	null	null	null	test
US05151497_4	US05151497_4	US05151497	C[C@@H]1CC(=O)N[C@@H]1C(=O)O.NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1>>C[C@@H]1CC(=O)N[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O	null	CN(C)C=O	null	C(=NC1CCCCC1)=NC1CCCCC1	null	test
US05436229_7	US05436229_7	US05436229	CCOC(=O)NC(C)(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1>>CCOC(=O)NC(C)(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O	null	C1COCCO1	O	[Li]O	null	test
US08420684B2_3	US08420684B2_3	US08420684B2	N#CO[K].Nc1ccc2[nH]cnc2c1.O=Cc1ccc(Cl)cc1.[C-]#[N+]Cc1ccccc1>>O=C1NC(=NCc2ccccc2)C(c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1	null	CO	null	Cl	null	test
US09365540B2_265	US09365540B2_265	US09365540B2	CCOC(=O)c1nc(C(F)F)cs1>>OCc1nc(C(F)F)cs1	null	CO	null	[BH4-].[Na+]	null	test
US20060293343A1_20	US20060293343A1_20	US20060293343A1	CCOC(=O)Cc1ccc(Nc2nc(-c3ccc(C(C)=O)s3)nc(C)c2CC)cc1>>CCOC(=O)Cc1ccc(Nc2nc(-c3ccc(C(C)O)s3)nc(C)c2CC)cc1	null	CO	null	[BH4-].[Na+]	null	test
US08519136B2_19	US08519136B2_19	US08519136B2	CC(C)(C)OC(=O)NNC(=O)C1(Cc2cccc(Nc3ccnn3C(C)(C)C)n2)CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1>>CC(C)(C)n1nccc1Nc1cccc(CC2(C(=O)NN)CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)n1	null	ClC(Cl)Cl	null	O=C(O)C(F)(F)F	null	test
US20040102450A1_56	US20040102450A1_56	US20040102450A1	CC(C)(C)OC(=O)N1CCN(CCN)C(=O)C1.CN1CCOCC1.O=[N+]([O-])c1c(Cl)c(Cl)nc(Cl)c1Cl>>O=C1CNCCN1CCNc1ccncc1	null	ClCCl	null	null	null	test
US20160157491A1_32	US20160157491A1_32	US20160157491A1	CN(C)C=O.FC(F)(F)Oc1ccc(-n2ncc3c2CCc2cc(Br)ccc2-3)cc1>>O=Cc1ccc2c(c1)CCc1c-2cnn1-c1ccc(OC(F)(F)F)cc1	null	C1CCOC1	null	[Li]CCCC	null	test
US05780483_7	US05780483_7	US05780483	COc1ccsc1C(=O)O.Nc1cc([N+](=O)[O-])ccc1O.[N-]=[N+]=NP(=O)(Oc1ccccc1)Oc1ccccc1>>COc1ccsc1NC(=O)Nc1cc([N+](=O)[O-])ccc1O	null	c1ccccc1	null	CCN(CC)CC	null	test
US20160222014A1_88	US20160222014A1_88	US20160222014A1	C[C@H]1CN(c2ccc(Nc3ncc4ccn(Cc5ccccc5N(C)S(C)(=O)=O)c4n3)cc2)CCN1.C[C@H]1CO1>>C[C@H](O)CN1CCN(c2ccc(Nc3ncc4ccn(Cc5ccccc5N(C)S(C)(=O)=O)c4n3)cc2)C[C@@H]1C	null	CO	null	null	null	test
US09096580B2_3	US09096580B2_3	US09096580B2	CC(C)(C)OC(=O)N1CC(NS(=O)C(C)(C)C)(C(=N)N)C1.CN(C)/C=C/C=O>>CC(C)(C)OC(=O)N1CC(NS(=O)C(C)(C)C)(c2ncccn2)C1	null	CO	null	C[O-].[Na+]	null	test
US20100125087A1_8	US20100125087A1_8	US20100125087A1	BrCCC1OCCO1.COC(=O)c1cccc(O)c1>>COC(=O)c1cccc(OCCC2OCCO2)c1	null	CN(C)C=O	null	[H-].[Na+]	null	test
US08242125B2_27	US08242125B2_27	US08242125B2	CC1c2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)c2CCN1C(=O)OC(C)(C)C>>CC1NCCc2c(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)ncnc21	null	ClCCl	null	O=C(O)C(F)(F)F	null	test
US07435837B2_3	US07435837B2_3	US07435837B2	COc1ccc(CC(O)COS(=O)(=O)c2ccc(C)cc2)c(OCc2ccccc2)c1>>COc1ccc(CC(O)COS(=O)(=O)c2ccc(C)cc2)c(O)c1	null	CCO	null	null	null	test
US05114944_14	US05114944_14	US05114944	CN.Cc1ccc(-c2nn3cccnc3c2CC(=O)n2ccnc2)cc1>>CNC(=O)Cc1c(-c2ccc(C)cc2)nn2cccnc12	null	C1CCOC1	O	null	null	test
US06348474B1_85	US06348474B1_85	US06348474B1	CCOC(=O)c1ccc2[nH]c(=O)c(=O)n(Cc3ccc(Cl)cc3Cl)c2c1.CI>>CCOC(=O)c1ccc2c(c1)n(Cc1ccc(Cl)cc1Cl)c(=O)c(=O)n2C	null	CC(C)=O	null	O=C([O-])[O-].[K+].[K+]	null	test
US07109354B2_63	US07109354B2_63	US07109354B2	COC(=O)CC(=O)Cl.CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2N)c1>>COC(=O)CC(=O)Nc1cccc(C)c1-c1cccc(S(=O)(=O)c2cc(C(=N)NC(=O)OC(C)(C)C)sc2SC)c1	null	CCOC(C)=O	null	C1CCOC1	null	test
US20160002224A1_72	US20160002224A1_72	US20160002224A1	C[Si](C)(C)CCOCn1c(Cl)cc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc21.O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O>>C[Si](C)(C)CCOCn1c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc21	null	CCOC(C)=O	CS(C)=O	C1COCCO1	null	test
US09062078B2_32	US09062078B2_32	US09062078B2	Cc1cc(C)nc(NC2CC3CCC2N3C(=O)OC(C)(C)C)n1>>Cc1cc(C)nc(NC2CC3CCC2N3)n1	null	ClCCl	null	O=C(O)C(F)(F)F	null	test
US20150191478A1_30	US20150191478A1_30	US20150191478A1	CCOC(OCC)c1cc2cncc(-c3cccc(Oc4cncnc4)c3)c2o1>>O=Cc1cc2cncc(-c3cccc(Oc4cncnc4)c3)c2o1	null	C1CCOC1	null	Cl	null	test
US09173396B2_8	US09173396B2_8	US09173396B2	Brc1cccc(-c2ncccn2)n1.CC1(C)OB(c2coc(-c3cccnc3)c2)OC1(C)C>>c1cnc(-c2cccc(-c3coc(-c4cccnc4)c3)n2)nc1	null	C1COCCO1	null	O	null	test
US20100311790A1_5	US20100311790A1_5	US20100311790A1	C=CCCCCCCBr.O=C(NCc1cccc(O)c1F)c1ccc2ncccc2c1>>C=CCCCCCCOc1cccc(CNC(=O)c2ccc3ncccc3c2)c1F	null	O	null	CN(C)C=O	null	test
US20100144786A1_19	US20100144786A1_19	US20100144786A1	CCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(C#N)cc1.FC(F)Cl>>CCc1nc2c(Cl)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(C#N)cc1	null	CN(C)C=O	null	O=C([O-])[O-].[K+].[K+]	null	test
US20120208819A1_120	US20120208819A1_120	US20120208819A1	CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2ccc(-c3ccc([N+](=O)[O-])s3)cc12>>CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2ccc(-c3ccc(N)s3)cc12	null	CO	null	null	null	test
US08835420B2_1	US08835420B2_1	US08835420B2	Brc1cnc2cc[nH]c2c1.Cc1ccc(S(=O)(=O)Cl)cc1>>Cc1ccc(S(=O)(=O)n2ccc3ncc(Br)cc32)cc1	null	CN(C)C=O	ClCCl	[H-].[Na+]	null	test
US20050020559A1_5	US20050020559A1_5	US20050020559A1	C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C.COCCOCCN>>C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCOCCOC)C(CCC(=O)OC)C3C	null	ClCCl	null	null	null	test
US06528543B1_7	US06528543B1_7	US06528543B1	CO.O=C(O)C(CC1CCCC1)c1ccc(Br)cc1>>COC(=O)C(CC1CCCC1)c1ccc(Br)cc1	null	null	null	null	null	test
US08247569B2_19	US08247569B2_19	US08247569B2	COc1ccc(NN)cc1.Cc1ccc(C(=O)C#CC2(COCc3ccccc3)CCC3(CC2)OCCO3)cc1>>COc1ccc(-n2nc(C3(COCc4ccccc4)CCC4(CC3)OCCO4)cc2-c2ccc(C)cc2)cc1	null	CCO	null	CCN(CC)CC	null	test
US20130225591A1_4	US20130225591A1_4	US20130225591A1	Cl.O=[N+]([O-])c1ncn2c(C(F)(F)F)csc12>>Cl.Nc1ncn2c(C(F)(F)F)csc12	null	CCOCC	null	CCOC(C)=O	null	test
US07465731B2_32	US07465731B2_32	US07465731B2	CCOC(=O)/C=C/c1ccc(N(C(=O)OC(C)(C)C)[C@@H]2CCN(C(c3ccccc3)c3ccccc3)C2)nc1>>CC(C)(C)OC(=O)N(c1ccc(/C=C/C(=O)O)cn1)[C@@H]1CCN(C(c2ccccc2)c2ccccc2)C1	null	CO	null	[Na+].[OH-]	null	test
US09199982B2_127	US09199982B2_127	US09199982B2	CCOc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1C1CN(C(=O)OC(C)(C)C)C1.Cl.ClCCl>>CCOc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1C1CNC1.Cl.Cl	null	ClCCl	null	C1COCCO1	null	test
US06172057B2_7	US06172057B2_7	US06172057B2	BrCc1ccccc1.CCOC(=O)CS(=O)(=O)c1ccc(OC)cc1>>CCOC(=O)C(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1	null	CC(C)=O	null	C1COCCOCCOCCOCCOCCO1	null	test
US07919628B2_68	US07919628B2_68	US07919628B2	BrC(Br)(Br)Br.OCc1ccc(Br)nc1>>BrCc1ccc(Br)nc1	null	ClCCl	null	c1ccc(P(c2ccccc2)c2ccccc2)cc1	null	test
US20080241943A1_0	US20080241943A1_0	US20080241943A1	Br[Mg]c1ccccc1.O=C1OC(=O)c2ccccc21.c1ccccc1>>O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21	null	c1ccccc1	null	Cl	null	test
US07459472B2_8	US07459472B2_8	US07459472B2	COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N[C@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)N(C)OC.C[Mg]Br>>COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N[C@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(C)=O	null	C1CCOC1	null	null	null	test
US07858646B2_6	US07858646B2_6	US07858646B2	N#Cc1ccc(Cl)nc1.O=C(O)c1cccc(S)c1>>N#Cc1ccc(Sc2cccc(C(=O)O)c2)nc1	null	CN(C)C=O	null	Cl	null	test
US09029545B2_87	US09029545B2_87	US09029545B2	Cc1cc(N)c2c(Br)c(C)sc2n1.O=S(=O)(Cl)c1cccc(Cl)c1>>Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)c2c(Br)c(C)sc2n1	null	C1CCOC1	null	CC(C)(C)[O-].[K+]	null	test
US20140235863A1_10	US20140235863A1_10	US20140235863A1	NC(=S)NN=C1CCN(Cc2ccccc2)CC1.O=C(CBr)c1cccnc1>>c1ccc(CN2CCC(=NNc3nc(-c4cccnc4)cs3)CC2)cc1	null	C1CCOC1	null	null	null	test
US06087380_64	US06087380_64	US06087380	CCOC(=O)CCN(C(=O)c1ccc(NC)c(N)c1)c1ccccn1.N#Cc1ccc(CCC(=O)O)s1>>CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CCc1ccc(C#N)s1)n2C)c1ccccn1	null	CO	ClCCl	null	null	test
US05580986_14	US05580986_14	US05580986	CCOC=C(C#N)C#N.Cn1nc(NN)cc1OC(F)F>>Cn1nc(-n2ncc(C#N)c2N)cc1OC(F)F	null	CCO	null	null	null	test
US20120101134A1_159	US20120101134A1_159	US20120101134A1	CCOC(=O)CCCc1cccc(-c2nsc(-c3ccc(OC(C)C)c(C#N)c3)n2)c1CC>>CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C#N)c2)n1	null	CC(C)O	O	Cl	null	test
US09045486B2_56	US09045486B2_56	US09045486B2	N#CCc1cccc(Cl)c1Cl.[Cl-].[NH4+]>>Cl.N=C(N)Cc1cccc(Cl)c1Cl	null	Cc1ccccc1	null	C[Al](C)C	null	test
US05869519_7	US05869519_7	US05869519	C[C@H](N)C(=O)N[C@H](C=O)CC(=NNC(N)=O)OC(C)(C)C.O=C(O)c1cc2ccccc2n1Cc1ccccc1>>C[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)C(=O)N[C@H](C=O)CC(=NNC(N)=O)OC(C)(C)C	null	CCOC(C)=O	ClCCl	CCN=C=NCCCN(C)C	null	test
US07687637B2_45	US07687637B2_45	US07687637B2	CC(=O)NC(N)=S.COc1cc(C(Br)C(C)=O)ccc1F>>COc1cc(-c2sc(NC(C)=O)nc2C)ccc1F	null	CCO	null	null	null	test
US20080280868A1_10	US20080280868A1_10	US20080280868A1	C1CCOC1.CO.Cl[Mg]C1CCCC1.N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O.NC(=O)c1cccnc1>>O=C(NCC1CCOCC1)c1cnc(Cl)cc1C1CCCC1	null	C1CCOC1	null	null	null	test
US20060292079A1_2	US20060292079A1_2	US20060292079A1	COCCn1ccc(C(=O)NC(COc2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)OC)c(OCc2ccccc2)c1=O>>COCCn1ccc(C(=O)NC(COc2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)O)c(OCc2ccccc2)c1=O	null	CO	null	Cl	null	test
US09233098B2_63	US09233098B2_63	US09233098B2	CCOC(=O)Cc1nn(Cc2ccc(N)cc2)c2ccccc12.Cc1ccc(C(=O)Cl)cn1>>CCOC(=O)Cc1nn(Cc2ccc(NC(=O)c3ccc(C)nc3)cc2)c2ccccc12	null	ClCCl	null	CCN(CC)CC	null	test
US08759342B2_6	US08759342B2_6	US08759342B2	COC(=O)c1cc(Cl)ccc1C1=CCN(C(=O)OC(C)(C)C)CC1>>COC(=O)c1cc(Cl)ccc1C1CCN(C(=O)OC(C)(C)C)CC1	null	CC(=O)O	CCO	[H][H]	null	test
US20110281854A1_19	US20110281854A1_19	US20110281854A1	CC(C)(C)C(=O)Nc1nc(Cl)ccc1C=O.C[C@@H]1CN[C@H](c2ccccc2)CO1>>C[C@@H]1CN(c2ccc(C=O)c(NC(=O)C(C)(C)C)n2)[C@H](c2ccccc2)CO1	null	CN(C)C=O	null	CCN(C(C)C)C(C)C	null	test
US07919518B2_8	US07919518B2_8	US07919518B2	COc1ccc(Cn2nc(CO)c3ccccc32)cc1.O=C(O)CBr>>COc1ccc(Cn2nc(COCC(=O)O)c3ccccc32)cc1	null	C1CCOC1	O	[H-].[Na+]	null	test
US20160159820A1_111	US20160159820A1_111	US20160159820A1	CCN1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1.N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12>>CCN1CCN(Cc2ccc(C(=O)N[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CNC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)CC1	null	CN(C)C=O	null	CCN(C(C)C)C(C)C	null	test
US08252820B2_8	US08252820B2_8	US08252820B2	COC(=O)CN(c1c(F)cc(Br)cc1OCc1ccccc1)S(=O)(=O)NC(=O)OC(C)(C)C>>COC(=O)CN(c1c(F)cc(Br)cc1OCc1ccccc1)S(N)(=O)=O	null	ClCCl	null	O=C(O)C(F)(F)F	null	test
US07402684B2_51	US07402684B2_51	US07402684B2	Cc1ccc(S(=O)(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1.O=C(c1ccccc1)c1ccc(O)cc1>>CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(C(=O)c2ccccc2)cc1	null	CN(C)C=O	null	[H-].[Na+]	null	test
US20060069110A1_51	US20060069110A1_51	US20060069110A1	CNc1ccnc(N(CCc2cccnc2)c2ccnc(Cl)n2)n1.OB(O)c1ccccc1F>>CN(c1ccnc(NCCc2cccnc2)n1)c1ccnc(-c2ccccc2F)n1	null	COCCOC	null	O=C([O-])[O-].[Na+].[Na+]	null	test
US08569535B2_183	US08569535B2_183	US08569535B2	CCOC(=O)C1(NC(=O)c2c(N)ccc(C)c2C=C(C)C)Cc2ccccc2C1>>CC(C)=Cc1c(C)ccc(N)c1C(=O)NC1(C(=O)O)Cc2ccccc2C1	null	CCO	null	O	null	test
US04329353_1	US04329353_1	US04329353	CCOC(=O)N1CCC(C#N)(Nc2ccc(F)cc2)CC1.O=S(=O)(O)O>>CCOC(=O)N1CCC(Nc2ccc(F)cc2)(C(N)=O)CC1	null	O	null	[Na+].[OH-]	null	test
US08975250B2_7	US08975250B2_7	US08975250B2	Fc1nc(F)nc(F)n1.O=C(O)C1(Cl)N=C(NC2CCCC2)C=CN1>>O=C(F)C1(Cl)N=C(NC2CCCC2)C=CN1	null	ClCCl	null	CCN(CC)CC	null	test
US08722690B2_3	US08722690B2_3	US08722690B2	Cc1cccnc1N.ClCc1cnc(Cl)s1>>Cc1cccnc1NCc1cnc(Cl)s1	null	CN1CCCC1=O	null	OC(=O)[O-].[Na+]	null	test
US08071584B2_65	US08071584B2_65	US08071584B2	CCOC(=O)c1cc(Br)cc2c(CC3CCCS(=O)(=O)C3)c[nH]c12>>O=C(O)c1cc(Br)cc2c(CC3CCCS(=O)(=O)C3)c[nH]c12	null	CO	null	[Li+].[OH-]	null	test
US06156700_87	US06156700_87	US06156700	Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(CC#N)c3c2)c1=O.O=C1CCC(=O)N1Br>>Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(Br)C#N)c3c2)c1=O	null	ClCCCl	null	null	null	test
US20130072487A1_10	US20130072487A1_10	US20130072487A1	CCOC(=O)c1c(O)n(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O.NCC(=O)O>>O=C(O)CNC(=O)c1c(O)n(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O	null	CCO	null	C1CCC2=NCCCN2CC1	null	test
US08173650B2_16	US08173650B2_16	US08173650B2	CN(C1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1>>CN(C1CCNCC1)C1CCOCC1	null	ClCCl	null	O=C(O)C(F)(F)F	null	test
US04315858_6	US04315858_6	US04315858	COC(=O)Cl.Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1>>COC(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1	null	ClCCl	null	CCN(CC)CC	null	test
US06320051B1_4	US06320051B1_4	US06320051B1	CC(C)(CN)CN.CCC(N)N.COc1cc(Cl)nc2ccccc12>>COc1cc(NCC(C)(C)CN)nc2ccccc12.N	null	CCOC(C)=O	null	OC(=O)[O-].[Na+]	null	test
US08569299B2_4	US08569299B2_4	US08569299B2	Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(-c2ccc(F)c(Cl)c2)n1.O=C(O)C(F)(F)F>>Cc1cc(C2CCNCC2)n(-c2ccc(F)c(Cl)c2)n1.O=C(O)C(F)(F)F	null	ClCCl	null	null	null	test
US05811459_46	US05811459_46	US05811459	COC(=O)c1ccc(CCc2cccnc2OCc2ccccc2)cc1>>O=C(O)c1ccc(CCc2cccnc2OCc2ccccc2)cc1	null	CCO	null	[Na+].[OH-]	null	test

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