Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50019044   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614876 (CHEMBL5270672) Show SMILES CC[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614869 (CHEMBL5273109) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614871 (CHEMBL5269433) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CCC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614867 (CHEMBL5274542) Show SMILES C[C@H]1CNC(=O)c2cnc3ccc(N[C@H](C)c4cc(F)ccc4O1)nn23 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614870 (CHEMBL5284765) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC(C)(C)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614871 (CHEMBL5269433) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CCC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614869 (CHEMBL5273109) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614870 (CHEMBL5284765) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC(C)(C)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614878 (CHEMBL5279319) Show SMILES Fc1ccc2OCC3(CC3)NC(=O)c3cnc4ccc(N[C@H](CC=C)c2c1)nn34 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614867 (CHEMBL5274542) Show SMILES C[C@H]1CNC(=O)c2cnc3ccc(N[C@H](C)c4cc(F)ccc4O1)nn23 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614868 (CHEMBL5269530) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614879 (CHEMBL5274362) Show SMILES C[C@H]1Nc2nn3c(cnc3cc2C)C(=O)NC2(CC2)COc2ccc(F)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614880 (CHEMBL5281719) Show SMILES CC1(C)COc2ccc(F)cc2CNc2ccc3ncc(C(=O)N1)n3n2 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614881 (CHEMBL5267497) Show SMILES CN1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614880 (CHEMBL5281719) Show SMILES CC1(C)COc2ccc(F)cc2CNc2ccc3ncc(C(=O)N1)n3n2 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614882 (CHEMBL5286123) Show SMILES CCN1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614876 (CHEMBL5270672) Show SMILES CC[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614881 (CHEMBL5267497) Show SMILES CN1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614882 (CHEMBL5286123) Show SMILES CCN1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614874 (CHEMBL5291345) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccccc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614868 (CHEMBL5269530) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614873 (CHEMBL5289155) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(Cl)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614879 (CHEMBL5274362) Show SMILES C[C@H]1Nc2nn3c(cnc3cc2C)C(=O)NC2(CC2)COc2ccc(F)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614873 (CHEMBL5289155) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(Cl)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614878 (CHEMBL5279319) Show SMILES Fc1ccc2OCC3(CC3)NC(=O)c3cnc4ccc(N[C@H](CC=C)c2c1)nn34 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614884 (CHEMBL5284909) Show SMILES CC1(C)COc2ccc(F)cc2CN(C2CC2)c2ccc3ncc(C(=O)N1)n3n2 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614884 (CHEMBL5284909) Show SMILES CC1(C)COc2ccc(F)cc2CN(C2CC2)c2ccc3ncc(C(=O)N1)n3n2 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614874 (CHEMBL5291345) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccccc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614883 (CHEMBL5290783) Show SMILES CC(C)N1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614883 (CHEMBL5290783) Show SMILES CC(C)N1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614885 (CHEMBL5267527) Show SMILES CC1(C)COc2ccc(F)cc2CN(C2CCC2)c2ccc3ncc(C(=O)N1)n3n2 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614885 (CHEMBL5267527) Show SMILES CC1(C)COc2ccc(F)cc2CN(C2CCC2)c2ccc3ncc(C(=O)N1)n3n2 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614872 (CHEMBL5289573) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4cc(F)ccc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614877 (CHEMBL5287224) Show SMILES CCC[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614875 (CHEMBL5279068) Show SMILES C[C@@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614872 (CHEMBL5289573) Show SMILES C[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4cc(F)ccc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	993	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614877 (CHEMBL5287224) Show SMILES CCC[C@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50614875 (CHEMBL5279068) Show SMILES C[C@@H]1Nc2ccc3ncc(C(=O)NC4(CC4)COc4ccc(F)cc14)n3n2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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