{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "LENIOLISIB", "compound_smiles": "CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1", "compound_inchikey": "MWKYMZXCGYXLPL-ZDUSSCGKSA-N", "target_uniprot": "P17252", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: LENIOLISIB\nSMILES: CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1\nTarget: P17252, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0000"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(2-((4-(1-(3-(1H-imidazole-1-yl)benzyl)piperidin-4-yl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide", "compound_smiles": "COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-n5ccnc5)c4)CC3)cc2)cc1OC", "compound_inchikey": "ZPFLSSWYPDZJQP-UHFFFAOYSA-N", "target_uniprot": "Q92887", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(2-((4-(1-(3-(1H-imidazole-1-yl)benzyl)piperidin-4-yl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide\nSMILES: COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-n5ccnc5)c4)CC3)cc2)cc1OC\nTarget: Q92887, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0001"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4256458", "compound_smiles": "OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21", "compound_inchikey": "WTGSVBSOJQMRQK-UHFFFAOYSA-N", "target_uniprot": "Q9NSA0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4256458\nSMILES: OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21\nTarget: Q9NSA0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0002"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "5-chloro-3-(N-(3,4-diethoxyphenyl)-N-methylsulfamoyl)-N-(3-(methylsulfonyl)phenyl)thiophene-2-carboxamide", "compound_smiles": "CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1OCC", "compound_inchikey": "HSVQRKVBYUXPBX-UHFFFAOYSA-N", "target_uniprot": "Q13133", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 5-chloro-3-(N-(3,4-diethoxyphenyl)-N-methylsulfamoyl)-N-(3-(methylsulfonyl)phenyl)thiophene-2-carboxamide\nSMILES: CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1OCC\nTarget: Q13133, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0003"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "BROMOSPORINE", "compound_smiles": "CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12", "compound_inchikey": "UYBRROMMFMPJAN-UHFFFAOYSA-N", "target_uniprot": "Q6PL18", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2019, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: BROMOSPORINE\nSMILES: CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12\nTarget: Q6PL18, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0004"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-(5-((4-bromo-2-hydroxy-5-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)pyridin-3-yl)nicotinamide", "compound_smiles": "CN1C(=O)S/C(=C\\c2cc(OCc3cncc(NC(=O)c4cccnc4)c3)c(O)cc2Br)C1=O", "compound_inchikey": "WEFFDYRHLBBLHD-SCDVKCJHSA-N", "target_uniprot": "Q8N884", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(5-((4-bromo-2-hydroxy-5-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)pyridin-3-yl)nicotinamide\nSMILES: CN1C(=O)S/C(=C\\c2cc(OCc3cncc(NC(=O)c4cccnc4)c3)c(O)cc2Br)C1=O\nTarget: Q8N884, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0005"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "2-(3-amino-1-phenyl-1H-1,2,4-triazol-5-ylthio)-N-methyl-N-phenylacetamide", "compound_smiles": "CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1", "compound_inchikey": "PLAZEIXTUPQVGE-UHFFFAOYSA-N", "target_uniprot": "Q14432", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 2-(3-amino-1-phenyl-1H-1,2,4-triazol-5-ylthio)-N-methyl-N-phenylacetamide\nSMILES: CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1\nTarget: Q14432, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0006"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "5H-dibenzo[b,e][1,4]diazepin-11(10H)-one", "compound_smiles": "O=C1Nc2ccccc2Nc2ccccc21", "compound_inchikey": "KVVFXAAMMFTLGN-UHFFFAOYSA-N", "target_uniprot": "Q07820", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 5H-dibenzo[b,e][1,4]diazepin-11(10H)-one\nSMILES: O=C1Nc2ccccc2Nc2ccccc21\nTarget: Q07820, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0007"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "SGC-CLK-1N", "compound_smiles": "COc1cc(Nc2nc(C)cc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1", "compound_inchikey": "BJVQXSHZMUFJBQ-UHFFFAOYSA-N", "target_uniprot": "Q86Z02", "target_gene": "HIPK1", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SGC-CLK-1N\nSMILES: COc1cc(Nc2nc(C)cc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1\nTarget: HIPK1 (Q86Z02), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0008"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "FOSTAMATINIB", "compound_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC", "compound_inchikey": "GKDRMWXFWHEQQT-UHFFFAOYSA-N", "target_uniprot": "Q16644", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: FOSTAMATINIB\nSMILES: COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC\nTarget: Q16644, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0009"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "8-chloro-7,9-dimethyl-N-((2-methylpyrimidin-5-yl)methyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine hydrochloride", "compound_smiles": "Cc1ncc(CNc2ncnc3c2sc2nc(C)c(Cl)c(C)c23)cn1.Cl", "compound_inchikey": "BIEJRYOISKHRCI-UHFFFAOYSA-N", "target_uniprot": "P08173", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 8-chloro-7,9-dimethyl-N-((2-methylpyrimidin-5-yl)methyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine hydrochloride\nSMILES: Cc1ncc(CNc2ncnc3c2sc2nc(C)c(Cl)c(C)c23)cn1.Cl\nTarget: P08173, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0010"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "1H-indol-5-ol", "compound_smiles": "Oc1ccc2[nH]ccc2c1", "compound_inchikey": "LMIQERWZRIFWNZ-UHFFFAOYSA-N", "target_uniprot": "O00459", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 1H-indol-5-ol\nSMILES: Oc1ccc2[nH]ccc2c1\nTarget: O00459, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0011"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "COPANLISIB", "compound_smiles": "COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21", "compound_inchikey": "PZBCKZWLPGJMAO-UHFFFAOYSA-N", "target_uniprot": "P22736", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: COPANLISIB\nSMILES: COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21\nTarget: P22736, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0012"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "US9688615, 38", "compound_smiles": "NCc1nc2cc(C(F)(F)F)c(C(F)(F)F)cc2[nH]1", "compound_inchikey": "ZPWAXDDBIKLHQM-UHFFFAOYSA-N", "target_uniprot": "Q00975", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US9688615, 38\nSMILES: NCc1nc2cc(C(F)(F)F)c(C(F)(F)F)cc2[nH]1\nTarget: Q00975, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0013"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4259551", "compound_smiles": "C=CCNc1nc(N2CCCC2)nc2ccccc12", "compound_inchikey": "ZHBZKSPOQFXRSY-UHFFFAOYSA-N", "target_uniprot": "Q9BRX2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4259551\nSMILES: C=CCNc1nc(N2CCCC2)nc2ccccc12\nTarget: Q9BRX2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0014"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "DALFAMPRIDINE", "compound_smiles": "Nc1ccncc1", "compound_inchikey": "NUKYPUAOHBNCPY-UHFFFAOYSA-N", "target_uniprot": "Q9BVK2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: DALFAMPRIDINE\nSMILES: Nc1ccncc1\nTarget: Q9BVK2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0015"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID852593", "compound_smiles": "C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1", "compound_inchikey": "MZXQZQFSQQBJOG-UHFFFAOYSA-N", "target_uniprot": "P07382", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID852593\nSMILES: C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1\nTarget: P07382, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0016"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(1-(4-chlorobenzyl)piperidin-4-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine", "compound_smiles": "Clc1ccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)cc1", "compound_inchikey": "HIVNTSBODORYCD-UHFFFAOYSA-N", "target_uniprot": "P52333", "target_gene": "JAK3", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(1-(4-chlorobenzyl)piperidin-4-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine\nSMILES: Clc1ccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)cc1\nTarget: JAK3 (P52333), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0017"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4265138", "compound_smiles": "O=C(O)C1CCCCC1C(=O)NCCc1cccc(Cl)c1", "compound_inchikey": "LYYAGVSPDZKKHJ-UHFFFAOYSA-N", "target_uniprot": "Q16543", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4265138\nSMILES: O=C(O)C1CCCCC1C(=O)NCCc1cccc(Cl)c1\nTarget: Q16543, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0018"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "DEXIBUPROFEN", "compound_smiles": "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1", "compound_inchikey": "HEFNNWSXXWATRW-JTQLQIEISA-N", "target_uniprot": "O60341", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: DEXIBUPROFEN\nSMILES: CC(C)Cc1ccc([C@H](C)C(=O)O)cc1\nTarget: O60341, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0019"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "6-Methyl-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine", "compound_smiles": "CC1=Nn2c(nnc2-c2cc(-c3ccccc3)[nH]n2)SC1", "compound_inchikey": "QQVGHUIRXGIOEX-UHFFFAOYSA-N", "target_uniprot": "O43865", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 6-Methyl-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine\nSMILES: CC1=Nn2c(nnc2-c2cc(-c3ccccc3)[nH]n2)SC1\nTarget: O43865, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0020"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID851942", "compound_smiles": "CCc1ccc2nc(SCC(=O)N(CC)CC)c(C#N)cc2c1", "compound_inchikey": "XUSQAHSCPIIXTC-UHFFFAOYSA-N", "target_uniprot": "Q14432", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851942\nSMILES: CCc1ccc2nc(SCC(=O)N(CC)CC)c(C#N)cc2c1\nTarget: Q14432, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0021"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4240504", "compound_smiles": "Cc1ccc(C(C(=O)NC2CCCCC2)N2CCCC2)cc1", "compound_inchikey": "IWLNQHMTSAKSQU-UHFFFAOYSA-N", "target_uniprot": "Q9NS69", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4240504\nSMILES: Cc1ccc(C(C(=O)NC2CCCCC2)N2CCCC2)cc1\nTarget: Q9NS69, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0022"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-(4-hydroxy-3-methoxybenzylidene)-6-((10-hydroxydecyl)oxy)benzofuran-3(2H)-one", "compound_smiles": "COc1cc(/C=C2\\Oc3cc(OCCCCCCCCCCO)ccc3C2=O)ccc1O", "compound_inchikey": "FRXXTMYVUNTBBF-UQQQWYQISA-N", "target_uniprot": "P16233", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(4-hydroxy-3-methoxybenzylidene)-6-((10-hydroxydecyl)oxy)benzofuran-3(2H)-one\nSMILES: COc1cc(/C=C2\\Oc3cc(OCCCCCCCCCCO)ccc3C2=O)ccc1O\nTarget: P16233, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0023"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SID24789741", "compound_smiles": "Oc1c(CN2CCOCC2)ccc2ccccc12", "compound_inchikey": "XJKMEOFFCYJCGT-UHFFFAOYSA-N", "target_uniprot": "P09488", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2010, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SID24789741\nSMILES: Oc1c(CN2CCOCC2)ccc2ccccc12\nTarget: P09488, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0024"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone", "compound_smiles": "Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCONC(=N)N", "compound_inchikey": "IDCKXHIGLKQWMM-UHFFFAOYSA-N", "target_uniprot": "P00747", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2010, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone\nSMILES: Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCONC(=N)N\nTarget: P00747, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0025"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(R)-ethyl 5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)piperidin-1-yl)nicotinate", "compound_smiles": "CCOC(=O)c1cncc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c1", "compound_inchikey": "WORSZPDWEGVQNR-HXUWFJFHSA-N", "target_uniprot": "Q86TI2", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (R)-ethyl 5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)piperidin-1-yl)nicotinate\nSMILES: CCOC(=O)c1cncc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c1\nTarget: Q86TI2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0026"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7974904", "compound_smiles": "CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O", "compound_inchikey": "HXPXGZMWNCTIDE-UHFFFAOYSA-N", "target_uniprot": "Q9NYK1", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7974904\nSMILES: CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O\nTarget: Q9NYK1, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0027"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID861956", "compound_smiles": "CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N", "compound_inchikey": "WHSZCOMPIJHMGX-UHFFFAOYSA-N", "target_uniprot": "Q9BY41", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID861956\nSMILES: CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N\nTarget: Q9BY41, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0028"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7968125", "compound_smiles": "Cc1cccc(C2CC(c3ccc(Cl)cc3)Nc3nc(N)nn32)c1", "compound_inchikey": "GTKGJGNVDZACDC-UHFFFAOYSA-N", "target_uniprot": "O14880", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7968125\nSMILES: Cc1cccc(C2CC(c3ccc(Cl)cc3)Nc3nc(N)nn32)c1\nTarget: O14880, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0029"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SOTRASTAURIN", "compound_smiles": "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1", "compound_inchikey": "OAVGBZOFDPFGPJ-UHFFFAOYSA-N", "target_uniprot": "P21709", "target_gene": "EPHA1", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SOTRASTAURIN\nSMILES: CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1\nTarget: EPHA1 (P21709), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0030"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "BMS-911543", "compound_smiles": "CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21", "compound_inchikey": "JCINBYQJBYJGDM-UHFFFAOYSA-N", "target_uniprot": "O75496", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: BMS-911543\nSMILES: CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21\nTarget: O75496, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0031"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "PF-03814735", "compound_smiles": "CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1c1ccc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)cc12", "compound_inchikey": "RYYNGWLOYLRZLK-RBUKOAKNSA-N", "target_uniprot": "Q04759", "target_gene": "PRKCQ", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: PF-03814735\nSMILES: CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1c1ccc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)cc12\nTarget: PRKCQ (Q04759), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0032"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "KW-2449", "compound_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "compound_inchikey": "YYLKKYCXAOBSRM-JXMROGBWSA-N", "target_uniprot": "P43490", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: KW-2449\nSMILES: O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1\nTarget: P43490, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0033"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "PH-797804", "compound_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "compound_inchikey": "KCAJXIDMCNPGHZ-UHFFFAOYSA-N", "target_uniprot": "Q15746", "target_gene": "MYLK", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: PH-797804\nSMILES: CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1\nTarget: MYLK (Q15746), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0034"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4246687", "compound_smiles": "CCOc1ccccc1NS(=O)(=O)c1c(C)noc1C", "compound_inchikey": "KVYXBKHSZZTZTB-UHFFFAOYSA-N", "target_uniprot": "P48147", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4246687\nSMILES: CCOc1ccccc1NS(=O)(=O)c1c(C)noc1C\nTarget: P48147, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0035"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "KW-2449", "compound_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "compound_inchikey": "YYLKKYCXAOBSRM-JXMROGBWSA-N", "target_uniprot": "Q9NYW5", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: KW-2449\nSMILES: O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1\nTarget: Q9NYW5, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0036"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-((5-cyano-4-(3,4-dimethoxyphenyl)-6-hydroxypyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide", "compound_smiles": "COc1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(O)c2C#N)cc1OC", "compound_inchikey": "UAQVLUUSXPLBBU-UHFFFAOYSA-N", "target_uniprot": "P00915", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-((5-cyano-4-(3,4-dimethoxyphenyl)-6-hydroxypyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide\nSMILES: COc1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(O)c2C#N)cc1OC\nTarget: P00915, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0037"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(E)-3-(3-((E)-3,5-dihydroxystyryl)-4-hydroxyphenyl)-N-methylacrylamide", "compound_smiles": "CNC(=O)/C=C/c1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1", "compound_inchikey": "POFRAZKBBNZSQQ-XIIDOLPRSA-N", "target_uniprot": "Q96FA3", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (E)-3-(3-((E)-3,5-dihydroxystyryl)-4-hydroxyphenyl)-N-methylacrylamide\nSMILES: CNC(=O)/C=C/c1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1\nTarget: Q96FA3, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0038"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID850986", "compound_smiles": "CC1Oc2ccccc2N(Cc2ccccc2Cl)C1=O", "compound_inchikey": "XESORBQACFGSND-UHFFFAOYSA-N", "target_uniprot": "Q9UBN7", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID850986\nSMILES: CC1Oc2ccccc2N(Cc2ccccc2Cl)C1=O\nTarget: Q9UBN7, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0039"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-((S)-3-(naphthalen-2-yl)-1-oxo-1-(piperidin-1-yl)propan-2-yl)-3-phenylpropanamide", "compound_smiles": "COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCCCC2)c(C)c1C", "compound_inchikey": "XKMVXVURNWQHFT-LQJZCPKCSA-N", "target_uniprot": "P47901", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-((S)-3-(naphthalen-2-yl)-1-oxo-1-(piperidin-1-yl)propan-2-yl)-3-phenylpropanamide\nSMILES: COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCCCC2)c(C)c1C\nTarget: P47901, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0040"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7976733", "compound_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=N/O", "compound_inchikey": "BFBMAYWZMKDZFY-KAQIVPQOSA-N", "target_uniprot": "O09178", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7976733\nSMILES: CC(C)=CCC/C(C)=C/CC/C(C)=N/O\nTarget: O09178, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0041"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "4'-((2,3-dimethyl-5-(2-phenylbutanamido)-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid", "compound_smiles": "CCC(C(=O)Nc1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1", "compound_inchikey": "LZKKDOUXFIOQEM-UHFFFAOYSA-N", "target_uniprot": "Q03181", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2010, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4'-((2,3-dimethyl-5-(2-phenylbutanamido)-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid\nSMILES: CCC(C(=O)Nc1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1\nTarget: Q03181, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0042"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(4-methylpiperazin-1-yl)(4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)phenyl)-methanone", "compound_smiles": "CN1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1", "compound_inchikey": "MNYTWBQGSPDBNG-UHFFFAOYSA-N", "target_uniprot": "Q92769", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (4-methylpiperazin-1-yl)(4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)phenyl)-methanone\nSMILES: CN1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1\nTarget: Q92769, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0043"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "TRYPTOPHAN", "compound_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "compound_inchikey": "QIVBCDIJIAJPQS-VIFPVBQESA-N", "target_uniprot": "P16615", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: TRYPTOPHAN\nSMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O\nTarget: P16615, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0044"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "TRYPTOPHAN", "compound_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "compound_inchikey": "QIVBCDIJIAJPQS-VIFPVBQESA-N", "target_uniprot": "Q7Z5P4", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: TRYPTOPHAN\nSMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O\nTarget: Q7Z5P4, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0045"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4245126", "compound_smiles": "COc1ccc(NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1", "compound_inchikey": "HOFGJNIUBPELBO-UHFFFAOYSA-N", "target_uniprot": "Q8TD30", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4245126\nSMILES: COc1ccc(NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1\nTarget: Q8TD30, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0046"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(2S)-N-[(1S)-1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-3-methyl-2-[[(2S)-2-(3-phenylpropanoylamino)-3-thiazol-4-yl-propanoyl]amino]butanamide", "compound_smiles": "CC(C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1", "compound_inchikey": "JFPVABWUQNRDDL-VBOOUTDYSA-N", "target_uniprot": "P09958", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (2S)-N-[(1S)-1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-3-methyl-2-[[(2S)-2-(3-phenylpropanoylamino)-3-thiazol-4-yl-propanoyl]amino]butanamide\nSMILES: CC(C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1\nTarget: P09958, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0047"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID851443", "compound_smiles": "COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1", "compound_inchikey": "JFWDNKVXUWYRPK-UHFFFAOYSA-N", "target_uniprot": "Q07889", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851443\nSMILES: COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1\nTarget: Q07889, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0048"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "HERNIARIN", "compound_smiles": "COc1ccc2ccc(=O)oc2c1", "compound_inchikey": "LIIALPBMIOVAHH-UHFFFAOYSA-N", "target_uniprot": "Q9UKU0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: HERNIARIN\nSMILES: COc1ccc2ccc(=O)oc2c1\nTarget: Q9UKU0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0049"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(1-(2-chlorobenzyl)piperidin-4-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine", "compound_smiles": "Clc1ccccc1CN1CCC(Nc2c(-c3cc[nH]c3)cnc3[nH]ccc23)CC1", "compound_inchikey": "PQXDDGQOGFWGIJ-UHFFFAOYSA-N", "target_uniprot": "P29597", "target_gene": "TYK2", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(1-(2-chlorobenzyl)piperidin-4-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine\nSMILES: Clc1ccccc1CN1CCC(Nc2c(-c3cc[nH]c3)cnc3[nH]ccc23)CC1\nTarget: TYK2 (P29597), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0050"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl)acrylate", "compound_smiles": "COc1cc(O)c(/C=C\\C(=O)O)cc1[C@@H](O)CC(C)C", "compound_inchikey": "KXEZMFMTEVLUPQ-ZFDPJTLLSA-N", "target_uniprot": "Q9Y2D0", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2009, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl)acrylate\nSMILES: COc1cc(O)c(/C=C\\C(=O)O)cc1[C@@H](O)CC(C)C\nTarget: Q9Y2D0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0051"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7975579", "compound_smiles": "O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1", "compound_inchikey": "KZSMQYCOVOZCSB-UHFFFAOYSA-N", "target_uniprot": "P22303", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7975579\nSMILES: O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1\nTarget: P22303, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0052"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID851746", "compound_smiles": "CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1", "compound_inchikey": "IQCYXVVYQZHFTF-UHFFFAOYSA-N", "target_uniprot": "Q9NRA2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851746\nSMILES: CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1\nTarget: Q9NRA2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0053"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID3711260", "compound_smiles": "O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1", "compound_inchikey": "CFPAPTHPFYHAJT-UHFFFAOYSA-N", "target_uniprot": "Q8TAV3", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3711260\nSMILES: O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1\nTarget: Q8TAV3, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0054"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "LESTAURTINIB", "compound_smiles": "C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O", "compound_inchikey": "UIARLYUEJFELEN-LROUJFHJSA-N", "target_uniprot": "Q8NG66", "target_gene": "NEK11", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: LESTAURTINIB\nSMILES: C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O\nTarget: NEK11 (Q8NG66), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0055"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "DECERNOTINIB", "compound_smiles": "CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F", "compound_inchikey": "ASUGUQWIHMTFJL-QGZVFWFLSA-N", "target_uniprot": "P29466", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: DECERNOTINIB\nSMILES: CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F\nTarget: P29466, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0056"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(6-((2',4'-Dimethyl-[4,5'-bithiazol]-2-yl)amino)pyridin-3-yl)(7-(5-(trifluoromethyl)pyrimidin-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone", "compound_smiles": "Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5COCC4CN(c4ncc(C(F)(F)F)cn4)C5)cn3)n2)s1", "compound_inchikey": "ZXFIPDSZKYQWDF-UHFFFAOYSA-N", "target_uniprot": "Q8NER1", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (6-((2',4'-Dimethyl-[4,5'-bithiazol]-2-yl)amino)pyridin-3-yl)(7-(5-(trifluoromethyl)pyrimidin-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone\nSMILES: Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5COCC4CN(c4ncc(C(F)(F)F)cn4)C5)cn3)n2)s1\nTarget: Q8NER1, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0057"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4261905", "compound_smiles": "O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc21", "compound_inchikey": "SOBFZOBFFWHUPL-UHFFFAOYSA-N", "target_uniprot": "O60885", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4261905\nSMILES: O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc21\nTarget: O60885, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0058"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "2-(4'-methyl-biphenyl-4-yloxy)-1-morpholin-4-yl-ethanone", "compound_smiles": "Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1", "compound_inchikey": "ZVVXZCOLSNAVEP-UHFFFAOYSA-N", "target_uniprot": "Q8WWX8", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 2-(4'-methyl-biphenyl-4-yloxy)-1-morpholin-4-yl-ethanone\nSMILES: Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1\nTarget: Q8WWX8, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0059"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-hydroxy-2-pivaloylisoindoline-5-carboxamide", "compound_smiles": "CC(C)(C)C(=O)N1Cc2ccc(C(=O)NO)cc2C1", "compound_inchikey": "HMJYQUAVTIECII-UHFFFAOYSA-N", "target_uniprot": "O15379", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2013, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-hydroxy-2-pivaloylisoindoline-5-carboxamide\nSMILES: CC(C)(C)C(=O)N1Cc2ccc(C(=O)NO)cc2C1\nTarget: O15379, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0060"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "2-(4-Diethylamino-2-hydroxy-phenyl)-1H-benzoimidazole-5-carboxamidine", "compound_smiles": "CCN(CC)c1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)c(O)c1", "compound_inchikey": "WCAHISANJALHOR-UHFFFAOYSA-N", "target_uniprot": "P00742", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2001, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(4-Diethylamino-2-hydroxy-phenyl)-1H-benzoimidazole-5-carboxamidine\nSMILES: CCN(CC)c1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)c(O)c1\nTarget: P00742, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0061"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "BUTYLPARABEN", "compound_smiles": "CCCCOC(=O)c1ccc(O)cc1", "compound_inchikey": "QFOHBWFCKVYLES-UHFFFAOYSA-N", "target_uniprot": "P43236", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: BUTYLPARABEN\nSMILES: CCCCOC(=O)c1ccc(O)cc1\nTarget: P43236, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0062"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "[5-(4-Nitrophenyl)-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)-Methanone", "compound_smiles": "O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2ccccc2C1", "compound_inchikey": "XAPSINUNBDPEQI-UHFFFAOYSA-N", "target_uniprot": "Q08499", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2018, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: [5-(4-Nitrophenyl)-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)-Methanone\nSMILES: O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2ccccc2C1\nTarget: Q08499, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0063"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "7-((3-Methoxybenzyl)oxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one", "compound_smiles": "COc1cccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)c1", "compound_inchikey": "ROJAXROLRVQJKB-UHFFFAOYSA-N", "target_uniprot": "Q9NUW8", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2016, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 7-((3-Methoxybenzyl)oxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one\nSMILES: COc1cccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)c1\nTarget: Q9NUW8, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0064"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4247617", "compound_smiles": "Cc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C", "compound_inchikey": "RISOMZYXVKYFBK-UHFFFAOYSA-N", "target_uniprot": "P30405", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4247617\nSMILES: Cc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C\nTarget: P30405, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0065"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(S)-3-(1,3,6-trichloro-9H-carbazol-9-yl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid", "compound_smiles": "O=C(O)[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)cc(Cl)c21)N1C(=O)c2ccccc2C1=O", "compound_inchikey": "YEBBNJGBFNBLTF-IBGZPJMESA-N", "target_uniprot": "P26358", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-3-(1,3,6-trichloro-9H-carbazol-9-yl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid\nSMILES: O=C(O)[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)cc(Cl)c21)N1C(=O)c2ccccc2C1=O\nTarget: P26358, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0066"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "5-[3-(dimethylamino)propyl]benzo[c][1]benzazocin-6-one", "compound_smiles": "CN(C)CCCN1C(=O)c2ccccc2/C=C\\c2ccccc21", "compound_inchikey": "ICFPYUXAAOVPIJ-SEYXRHQNSA-N", "target_uniprot": "P50406", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2020, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 5-[3-(dimethylamino)propyl]benzo[c][1]benzazocin-6-one\nSMILES: CN(C)CCCN1C(=O)c2ccccc2/C=C\\c2ccccc21\nTarget: P50406, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0067"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-(4-(5-chlorobenzo[d]oxazol-2-yl)phenyl)-2-(2-fluorophenoxy)acetamide", "compound_smiles": "O=C(COc1ccccc1F)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1", "compound_inchikey": "RPKUSUNFXKQAES-UHFFFAOYSA-N", "target_uniprot": "P11597", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2010, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(4-(5-chlorobenzo[d]oxazol-2-yl)phenyl)-2-(2-fluorophenoxy)acetamide\nSMILES: O=C(COc1ccccc1F)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1\nTarget: P11597, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0068"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "TECALCET HYDROCHLORIDE", "compound_smiles": "COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl", "compound_inchikey": "YJXUXANREVNZLH-PFEQFJNWSA-N", "target_uniprot": "P13945", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: TECALCET HYDROCHLORIDE\nSMILES: COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl\nTarget: P13945, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0069"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7968125", "compound_smiles": "Cc1cccc(C2CC(c3ccc(Cl)cc3)Nc3nc(N)nn32)c1", "compound_inchikey": "GTKGJGNVDZACDC-UHFFFAOYSA-N", "target_uniprot": "P06870", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7968125\nSMILES: Cc1cccc(C2CC(c3ccc(Cl)cc3)Nc3nc(N)nn32)c1\nTarget: P06870, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0070"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID843320", "compound_smiles": "CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1[nH]nc(C)c12", "compound_inchikey": "XPDWAHFUKFWMRD-UHFFFAOYSA-N", "target_uniprot": "P35372", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID843320\nSMILES: CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1[nH]nc(C)c12\nTarget: P35372, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0071"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "FLURBIPROFEN", "compound_smiles": "CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "compound_inchikey": "SYTBZMRGLBWNTM-UHFFFAOYSA-N", "target_uniprot": "Q9UKV0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: FLURBIPROFEN\nSMILES: CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1\nTarget: Q9UKV0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0072"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SUNITINIB", "compound_smiles": "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C", "compound_inchikey": "WINHZLLDWRZWRT-ATVHPVEESA-N", "target_uniprot": "Q9NSE4", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SUNITINIB\nSMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C\nTarget: Q9NSE4, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0073"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "DINACICLIB", "compound_smiles": "CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12", "compound_inchikey": "PIMQWRZWLQKKBJ-SFHVURJKSA-N", "target_uniprot": "P54619", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: DINACICLIB\nSMILES: CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12\nTarget: P54619, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0074"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(5-amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)(4-(4-isopropyl-1,4-diazepan-1-yl)naphthalen-1-yl)methanone", "compound_smiles": "CC(C)N1CCCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1", "compound_inchikey": "QMKLOIDZBNHGIV-UHFFFAOYSA-N", "target_uniprot": "P03952", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (5-amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)(4-(4-isopropyl-1,4-diazepan-1-yl)naphthalen-1-yl)methanone\nSMILES: CC(C)N1CCCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1\nTarget: P03952, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0075"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4254746", "compound_smiles": "COC(=O)c1ccc(Nc2nc(C)cc(O)n2)cc1", "compound_inchikey": "UTNSVGAYDHWYON-UHFFFAOYSA-N", "target_uniprot": "Q9HBL8", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4254746\nSMILES: COC(=O)c1ccc(Nc2nc(C)cc(O)n2)cc1\nTarget: Q9HBL8, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0076"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID26667619", "compound_smiles": "COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1", "compound_inchikey": "FYANNMRFPSTTNG-UHFFFAOYSA-N", "target_uniprot": "Q9Y4X0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID26667619\nSMILES: COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1\nTarget: Q9Y4X0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0077"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)-phenoxy)methyl)-1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic Acid", "compound_smiles": "Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12", "compound_inchikey": "XMVAWGSQPHFXKU-UHFFFAOYSA-N", "target_uniprot": "P10415", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)-phenoxy)methyl)-1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic Acid\nSMILES: Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12\nTarget: P10415, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0078"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "BMS-777607", "compound_smiles": "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1", "compound_inchikey": "VNBRGSXVFBYQNN-UHFFFAOYSA-N", "target_uniprot": "Q14680", "target_gene": "MELK", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: BMS-777607\nSMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1\nTarget: MELK (Q14680), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0079"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "MK-5108", "compound_smiles": "O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1", "compound_inchikey": "LCVIRAZGMYMNNT-VVONHTQRSA-N", "target_uniprot": "P61073", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: MK-5108\nSMILES: O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1\nTarget: P61073, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0080"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "COPANLISIB", "compound_smiles": "COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21", "compound_inchikey": "PZBCKZWLPGJMAO-UHFFFAOYSA-N", "target_uniprot": "P20671", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: COPANLISIB\nSMILES: COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21\nTarget: P20671, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0081"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "3-(benzo[d][1,3]dioxol-5-yl)isoquinolin-7-ol", "compound_smiles": "Oc1ccc2cc(-c3ccc4c(c3)OCO4)ncc2c1", "compound_inchikey": "XZVFOYWLOGTJRN-UHFFFAOYSA-N", "target_uniprot": "P48775", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-(benzo[d][1,3]dioxol-5-yl)isoquinolin-7-ol\nSMILES: Oc1ccc2cc(-c3ccc4c(c3)OCO4)ncc2c1\nTarget: P48775, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0082"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(R)-3-(((6-(methyl(phenyl)amino)-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)amino)isonicotinic acid", "compound_smiles": "CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O", "compound_inchikey": "XSMABFRQESMONQ-SFHVURJKSA-N", "target_uniprot": "Q8NFU7", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (R)-3-(((6-(methyl(phenyl)amino)-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)amino)isonicotinic acid\nSMILES: CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O\nTarget: Q8NFU7, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0083"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "TENOXICAM", "compound_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O", "compound_inchikey": "LZNWYQJJBLGYLT-UHFFFAOYSA-N", "target_uniprot": "Q9Y572", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: TENOXICAM\nSMILES: CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O\nTarget: Q9Y572, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0084"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(S)-5-(2-(cyclopropanecarboxamido)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-(3-fluorophenyl)ethyl)-1-methyl-1H-indole-3-carboxamide", "compound_smiles": "C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)cc12)c1cccc(F)c1", "compound_inchikey": "MMHXIUIFLQILFX-INIZCTEOSA-N", "target_uniprot": "P57078", "target_gene": "RIPK4", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-5-(2-(cyclopropanecarboxamido)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-(3-fluorophenyl)ethyl)-1-methyl-1H-indole-3-carboxamide\nSMILES: C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)cc12)c1cccc(F)c1\nTarget: RIPK4 (P57078), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0085"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID859301", "compound_smiles": "Cl.O=C(CCN(CCO)Cc1ccccc1)Nc1ccc(Br)cc1", "compound_inchikey": "BOABSECIFVDQRE-UHFFFAOYSA-N", "target_uniprot": "Q15633", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID859301\nSMILES: Cl.O=C(CCN(CCO)Cc1ccccc1)Nc1ccc(Br)cc1\nTarget: Q15633, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0086"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile", "compound_smiles": "CC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O", "compound_inchikey": "DHXKRMSKXLDZGY-UHFFFAOYSA-N", "target_uniprot": "O43151", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile\nSMILES: CC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O\nTarget: O43151, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0087"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "US9688668, 34", "compound_smiles": "CCCCCCCCc1ccc([C@H]2CC[C@H](NC(=N)N)CC2)cc1", "compound_inchikey": "KSXMEDZHDUYIIA-MXVIHJGJSA-N", "target_uniprot": "Q9NYA1", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US9688668, 34\nSMILES: CCCCCCCCc1ccc([C@H]2CC[C@H](NC(=N)N)CC2)cc1\nTarget: Q9NYA1, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0088"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-((1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl)methyl)-3-(piperidin-1-yl)propanamide hydrochloride", "compound_smiles": "Cl.O=C(CCN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1", "compound_inchikey": "WOIDFGUEVKUZBC-UHFFFAOYSA-N", "target_uniprot": "P41143", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-((1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl)methyl)-3-(piperidin-1-yl)propanamide hydrochloride\nSMILES: Cl.O=C(CCN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1\nTarget: P41143, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0089"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID3711353", "compound_smiles": "O=C(Cc1nnc(O)c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1", "compound_inchikey": "JRCICVPQCULWQR-UHFFFAOYSA-N", "target_uniprot": "Q6R6M4", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3711353\nSMILES: O=C(Cc1nnc(O)c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1\nTarget: Q6R6M4, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0090"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "3-(2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)-5-(thiophen-2-ylmethylene)thiazolidine-2,4-dione", "compound_smiles": "O=C(CN1C(=O)S/C(=C\\c2cccs2)C1=O)c1cc2ccccc2oc1=O", "compound_inchikey": "SUDHZNHUHNIFIK-SXGWCWSVSA-N", "target_uniprot": "P00918", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-(2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)-5-(thiophen-2-ylmethylene)thiazolidine-2,4-dione\nSMILES: O=C(CN1C(=O)S/C(=C\\c2cccs2)C1=O)c1cc2ccccc2oc1=O\nTarget: P00918, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0091"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID861330", "compound_smiles": "C/C(NC1CCCC1)=C(/C#N)C(N)=O", "compound_inchikey": "JTIKDXJBMLPXIZ-VQHVLOKHSA-N", "target_uniprot": "Q8IXJ6", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID861330\nSMILES: C/C(NC1CCCC1)=C(/C#N)C(N)=O\nTarget: Q8IXJ6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0092"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4252111", "compound_smiles": "O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1", "compound_inchikey": "BNABOEWFWSCFTJ-UHFFFAOYSA-N", "target_uniprot": "Q15788", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4252111\nSMILES: O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1\nTarget: Q15788, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0093"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "7-butyl-8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione", "compound_smiles": "CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C", "compound_inchikey": "CYKISVYTUCOJRU-UHFFFAOYSA-N", "target_uniprot": "O14727", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 7-butyl-8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione\nSMILES: CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C\nTarget: O14727, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0094"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "TRIACETYLRESVERATROL", "compound_smiles": "CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1", "compound_inchikey": "PDAYUJSOJIMKIS-SNAWJCMRSA-N", "target_uniprot": "P09960", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: TRIACETYLRESVERATROL\nSMILES: CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1\nTarget: P09960, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0095"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-3-methylbutanoic acid", "compound_smiles": "CC(C)[C@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O", "compound_inchikey": "MHYPVWJJBIITGJ-LURJTMIESA-N", "target_uniprot": "P15121", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2016, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-3-methylbutanoic acid\nSMILES: CC(C)[C@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O\nTarget: P15121, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0096"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2,2,2-trichloroethyl (1R)-1-(4-bromophenyl)-2-(2-(2,6-dioxopiperidin-3-yl)-3-oxoisoindolin-4-yl)cycloprop-2-ene-1-carboxylate", "compound_smiles": "O=C1CCC(N2Cc3cccc(C4=C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1", "compound_inchikey": "STQBVRVNAOULKH-VCUSLETLSA-N", "target_uniprot": "P15170", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2,2,2-trichloroethyl (1R)-1-(4-bromophenyl)-2-(2-(2,6-dioxopiperidin-3-yl)-3-oxoisoindolin-4-yl)cycloprop-2-ene-1-carboxylate\nSMILES: O=C1CCC(N2Cc3cccc(C4=C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1\nTarget: P15170, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0097"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4245126", "compound_smiles": "COc1ccc(NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1", "compound_inchikey": "HOFGJNIUBPELBO-UHFFFAOYSA-N", "target_uniprot": "Q15904", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4245126\nSMILES: COc1ccc(NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1\nTarget: Q15904, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0098"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(E)-N-(3-(2-amino-1H-imidazol-4-yl)allyl)-5-chloro-1H-indole-2-carboxamide", "compound_smiles": "Nc1nc(/C=C/CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c[nH]1", "compound_inchikey": "KZGCMSHMRDZXCJ-OWOJBTEDSA-N", "target_uniprot": "P16389", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (E)-N-(3-(2-amino-1H-imidazol-4-yl)allyl)-5-chloro-1H-indole-2-carboxamide\nSMILES: Nc1nc(/C=C/CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c[nH]1\nTarget: P16389, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0099"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID3712804", "compound_smiles": "CCN(CC)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1", "compound_inchikey": "QDUCWVIFLLKBSB-UHFFFAOYSA-N", "target_uniprot": "P54253", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3712804\nSMILES: CCN(CC)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1\nTarget: P54253, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0100"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4250488", "compound_smiles": "COC(=O)C1(S(=O)(=O)c2cccc3nsnc23)CC1", "compound_inchikey": "BJRKOTLNYXDXHI-UHFFFAOYSA-N", "target_uniprot": "P43490", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4250488\nSMILES: COC(=O)C1(S(=O)(=O)c2cccc3nsnc23)CC1\nTarget: P43490, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0101"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4246169", "compound_smiles": "O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2", "compound_inchikey": "DNFASSXKWVVUKK-UHFFFAOYSA-N", "target_uniprot": "Q13153", "target_gene": "PAK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4246169\nSMILES: O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2\nTarget: PAK1 (Q13153), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0102"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "TOFACITINIB", "compound_smiles": "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12", "compound_inchikey": "UJLAWZDWDVHWOW-YPMHNXCESA-N", "target_uniprot": "O75716", "target_gene": "STK16", "target_family": "kinase", "num_assays": 2, "num_sources": 3, "earliest_year": 2008, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: TOFACITINIB\nSMILES: C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12\nTarget: STK16 (O75716), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0103"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "ethyl 2-(3,4-dichlorophenyl)-5-hydroxybenzofuran-3-carboxylate", "compound_smiles": "CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)oc2ccc(O)cc12", "compound_inchikey": "XGDZSKMFVUSAOB-UHFFFAOYSA-N", "target_uniprot": "P09917", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2018, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: ethyl 2-(3,4-dichlorophenyl)-5-hydroxybenzofuran-3-carboxylate\nSMILES: CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)oc2ccc(O)cc12\nTarget: P09917, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0104"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(S)-1-((2-((3-chloro-4-(thiazol-2-yl)benzyl)oxy)benzyl)(methyl)amino)-3-(methylamino)propan-2-ol", "compound_smiles": "CNC[C@H](O)CN(C)Cc1ccccc1OCc1ccc(-c2nccs2)c(Cl)c1", "compound_inchikey": "UMKLFWMQTDMELK-SFHVURJKSA-N", "target_uniprot": "Q9NVM4", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-1-((2-((3-chloro-4-(thiazol-2-yl)benzyl)oxy)benzyl)(methyl)amino)-3-(methylamino)propan-2-ol\nSMILES: CNC[C@H](O)CN(C)Cc1ccccc1OCc1ccc(-c2nccs2)c(Cl)c1\nTarget: Q9NVM4, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0105"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-(3-(1-((4-Methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)phenyl)picolinamide", "compound_smiles": "CC(Sc1nncn1C)c1cccc(NC(=O)c2ccccn2)c1", "compound_inchikey": "BOVJKQTZTZBOBN-UHFFFAOYSA-N", "target_uniprot": "Q13191", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2019, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(3-(1-((4-Methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)phenyl)picolinamide\nSMILES: CC(Sc1nncn1C)c1cccc(NC(=O)c2ccccn2)c1\nTarget: Q13191, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0106"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID849423", "compound_smiles": "COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21", "compound_inchikey": "IATHJFKFOKZCOK-UHFFFAOYSA-N", "target_uniprot": "Q9Y397", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID849423\nSMILES: COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21\nTarget: Q9Y397, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0107"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-((4-((5-chloro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)methyl)-N'-propylbenzohydrazide", "compound_smiles": "CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccc(-c6ccccc6)cn45)n3)cn2)cc1", "compound_inchikey": "HWLVWBSFCUDEEE-UHFFFAOYSA-N", "target_uniprot": "P24941", "target_gene": "CDK2", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-((4-((5-chloro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)methyl)-N'-propylbenzohydrazide\nSMILES: CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccc(-c6ccccc6)cn45)n3)cn2)cc1\nTarget: CDK2 (P24941), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0108"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7975579", "compound_smiles": "O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1", "compound_inchikey": "KZSMQYCOVOZCSB-UHFFFAOYSA-N", "target_uniprot": "Q9Y314", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7975579\nSMILES: O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1\nTarget: Q9Y314, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0109"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "LENIOLISIB", "compound_smiles": "CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1", "compound_inchikey": "MWKYMZXCGYXLPL-ZDUSSCGKSA-N", "target_uniprot": "Q92847", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: LENIOLISIB\nSMILES: CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1\nTarget: Q92847, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0110"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID844691", "compound_smiles": "COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1", "compound_inchikey": "TVVDBTNDTBPYCS-UHFFFAOYSA-N", "target_uniprot": "O15527", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID844691\nSMILES: COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1\nTarget: O15527, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0111"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(2R)-2-Amino-1-[4-(4-{[5-chloro-4-(pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)-1-piperidinyl]-1-propanone", "compound_smiles": "Cc1nn(C2CCN(C(=O)[C@@H](C)N)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1", "compound_inchikey": "HZSFGSOFGMHYMF-CQSZACIVSA-N", "target_uniprot": "Q12809", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2016, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (2R)-2-Amino-1-[4-(4-{[5-chloro-4-(pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)-1-piperidinyl]-1-propanone\nSMILES: Cc1nn(C2CCN(C(=O)[C@@H](C)N)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1\nTarget: Q12809, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0112"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(S)-1-(1H-benzo[d]imidazol-2-yl)-N-(1-(benzylamino)-5-(2-chloroacetimidamido)-1-oxopentan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxamide", "compound_smiles": "N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2nc3ccccc3[nH]2)n1)C(=O)NCc1ccccc1", "compound_inchikey": "YGGURSRNOHLZLN-SANMLTNESA-N", "target_uniprot": "Q9Y2J8", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-1-(1H-benzo[d]imidazol-2-yl)-N-(1-(benzylamino)-5-(2-chloroacetimidamido)-1-oxopentan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxamide\nSMILES: N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2nc3ccccc3[nH]2)n1)C(=O)NCc1ccccc1\nTarget: Q9Y2J8, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0113"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "GALUNISERTIB", "compound_smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1", "compound_inchikey": "IVRXNBXKWIJUQB-UHFFFAOYSA-N", "target_uniprot": "Q04912", "target_gene": "MST1R", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: GALUNISERTIB\nSMILES: Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1\nTarget: MST1R (Q04912), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0114"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID849907", "compound_smiles": "COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1", "compound_inchikey": "DGHNJYFIBSFUOC-UHFFFAOYSA-N", "target_uniprot": "O43598", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID849907\nSMILES: COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1\nTarget: O43598, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0115"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-cyclopropyl-3-oxo-N-(4-(pyrimidin-4-ylcarbamoyl)benzyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxamide", "compound_smiles": "O=C1COc2cc(C(=O)N(Cc3ccc(C(=O)Nc4ccncn4)cc3)C3CC3)ccc2N1", "compound_inchikey": "KOZGEDUWAQFVAV-UHFFFAOYSA-N", "target_uniprot": "O96028", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-cyclopropyl-3-oxo-N-(4-(pyrimidin-4-ylcarbamoyl)benzyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxamide\nSMILES: O=C1COc2cc(C(=O)N(Cc3ccc(C(=O)Nc4ccncn4)cc3)C3CC3)ccc2N1\nTarget: O96028, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0116"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4242812", "compound_smiles": "COc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1", "compound_inchikey": "QAICVUGPWYZAJL-UHFFFAOYSA-N", "target_uniprot": "P25098", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4242812\nSMILES: COc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1\nTarget: P25098, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0117"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-benzylpentanamide", "compound_smiles": "CC[C@@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc21", "compound_inchikey": "YTYLSGGBDMTGBB-HNNXBMFYSA-N", "target_uniprot": "P56817", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2010, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-benzylpentanamide\nSMILES: CC[C@@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc21\nTarget: P56817, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0118"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "R-406", "compound_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC", "compound_inchikey": "NHHQJBCNYHBUSI-UHFFFAOYSA-N", "target_uniprot": "Q13554", "target_gene": "CAMK2B", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: R-406\nSMILES: COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC\nTarget: CAMK2B (Q13554), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0119"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "2-isopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile", "compound_smiles": "CC(C)c1nn2cccnc2c1C#N", "compound_inchikey": "MKXJQLRWVGOBPL-UHFFFAOYSA-N", "target_uniprot": "P48736", "target_gene": "PIK3CG", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-isopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile\nSMILES: CC(C)c1nn2cccnc2c1C#N\nTarget: PIK3CG (P48736), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0120"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID843705", "compound_smiles": "O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1", "compound_inchikey": "IJDOYIHEQCCWFV-UHFFFAOYSA-N", "target_uniprot": "P62333", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID843705\nSMILES: O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1\nTarget: P62333, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0121"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "HYODEOXYCHOLIC_ACID", "compound_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "compound_inchikey": "DGABKXLVXPYZII-SIBKNCMHSA-N", "target_uniprot": "P15907", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: HYODEOXYCHOLIC_ACID\nSMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C\nTarget: P15907, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0122"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl thiophene-2-carboxylate", "compound_smiles": "Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1", "compound_inchikey": "RZXMQAUOJUDTRO-UHFFFAOYSA-N", "target_uniprot": "P22466", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl thiophene-2-carboxylate\nSMILES: Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1\nTarget: P22466, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0123"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "APITOLISIB", "compound_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "compound_inchikey": "YOVVNQKCSKSHKT-HNNXBMFYSA-N", "target_uniprot": "Q02880", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: APITOLISIB\nSMILES: Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12\nTarget: Q02880, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0124"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "SGC-CLK-1N", "compound_smiles": "COc1cc(Nc2nc(C)cc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1", "compound_inchikey": "BJVQXSHZMUFJBQ-UHFFFAOYSA-N", "target_uniprot": "P49761", "target_gene": "CLK3", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SGC-CLK-1N\nSMILES: COc1cc(Nc2nc(C)cc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1\nTarget: CLK3 (P49761), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0125"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4246169", "compound_smiles": "O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2", "compound_inchikey": "DNFASSXKWVVUKK-UHFFFAOYSA-N", "target_uniprot": "Q9RI12", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4246169\nSMILES: O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2\nTarget: Q9RI12, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0126"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "7-isopentyl-1,3-dimethyl-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione", "compound_smiles": "CC(C)CCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C", "compound_inchikey": "RWDUJGFYBUYWIE-UHFFFAOYSA-N", "target_uniprot": "P49638", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 7-isopentyl-1,3-dimethyl-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione\nSMILES: CC(C)CCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C\nTarget: P49638, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0127"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SUMATRIPTAN", "compound_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1", "compound_inchikey": "KQKPFRSPSRPDEB-UHFFFAOYSA-N", "target_uniprot": "O14763", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SUMATRIPTAN\nSMILES: CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1\nTarget: O14763, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0128"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "6-amino-2-(3,5-dichloro-4-((5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione", "compound_smiles": "CC(C)c1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O", "compound_inchikey": "YZZBNKVFMULQCU-UHFFFAOYSA-N", "target_uniprot": "P22309", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 6-amino-2-(3,5-dichloro-4-((5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione\nSMILES: CC(C)c1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O\nTarget: P22309, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0129"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID851856", "compound_smiles": "COc1ccc(C(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1OC", "compound_inchikey": "FFDMJRPXWNAPBP-UHFFFAOYSA-N", "target_uniprot": "P21728", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851856\nSMILES: COc1ccc(C(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1OC\nTarget: P21728, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0130"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID843320", "compound_smiles": "CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1[nH]nc(C)c12", "compound_inchikey": "XPDWAHFUKFWMRD-UHFFFAOYSA-N", "target_uniprot": "Q9Y237", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID843320\nSMILES: CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1[nH]nc(C)c12\nTarget: Q9Y237, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0131"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "Sapanisertib", "compound_smiles": "Cc1nc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2o1", "compound_inchikey": "JUUFLLKHNYWHKP-UHFFFAOYSA-N", "target_uniprot": "P07948", "target_gene": "LYN", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: Sapanisertib\nSMILES: Cc1nc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2o1\nTarget: LYN (P07948), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0132"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "PSB-11", "compound_smiles": "CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)[nH]c3C2=N1.Cl", "compound_inchikey": "JAUSHKIWPLHBCN-RFVHGSKJSA-N", "target_uniprot": "P07550", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: PSB-11\nSMILES: CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)[nH]c3C2=N1.Cl\nTarget: P07550, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0133"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID862134", "compound_smiles": "C[N+]1=C2c3ccccc3N=CN2CC1.[I-]", "compound_inchikey": "KZWFURVTGVQJEK-UHFFFAOYSA-M", "target_uniprot": "O95864", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID862134\nSMILES: C[N+]1=C2c3ccccc3N=CN2CC1.[I-]\nTarget: O95864, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0134"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "BMS-911543", "compound_smiles": "CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21", "compound_inchikey": "JCINBYQJBYJGDM-UHFFFAOYSA-N", "target_uniprot": "P22466", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: BMS-911543\nSMILES: CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21\nTarget: P22466, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0135"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(2S,3R)-3-(4-bromophenyl)-2-methyl-3-({7H-pyrrolo[2,3-d]pyrimidin-4-yl}formamido)propanoic acid", "compound_smiles": "C[C@H](C(=O)O)[C@@H](NC(=O)c1ncnc2[nH]ccc12)c1ccc(Br)cc1", "compound_inchikey": "BBYUVETWVSEHPK-TVQRCGJNSA-N", "target_uniprot": "Q14524", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (2S,3R)-3-(4-bromophenyl)-2-methyl-3-({7H-pyrrolo[2,3-d]pyrimidin-4-yl}formamido)propanoic acid\nSMILES: C[C@H](C(=O)O)[C@@H](NC(=O)c1ncnc2[nH]ccc12)c1ccc(Br)cc1\nTarget: Q14524, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0136"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "PF-04418948", "compound_smiles": "COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1", "compound_inchikey": "LWJGMYMNSNVCEM-UHFFFAOYSA-N", "target_uniprot": "Q13153", "target_gene": "PAK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: PF-04418948\nSMILES: COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1\nTarget: PAK1 (Q13153), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0137"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4246687", "compound_smiles": "CCOc1ccccc1NS(=O)(=O)c1c(C)noc1C", "compound_inchikey": "KVYXBKHSZZTZTB-UHFFFAOYSA-N", "target_uniprot": "P42771", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4246687\nSMILES: CCOc1ccccc1NS(=O)(=O)c1c(C)noc1C\nTarget: P42771, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0138"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "(E)-3-(4-methoxyphenylimino)indolin-2-one", "compound_smiles": "COc1ccc(/N=C2\\C(=O)Nc3ccccc32)cc1", "compound_inchikey": "PXSATUQXASGWQE-UHFFFAOYSA-N", "target_uniprot": "P30990", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: (E)-3-(4-methoxyphenylimino)indolin-2-one\nSMILES: COc1ccc(/N=C2\\C(=O)Nc3ccccc32)cc1\nTarget: P30990, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0139"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SID24824251", "compound_smiles": "Cc1ccc(C(=O)N[C@@H](C)CN2C3=NC[C@@H](Cc4ccccc4)N3C[C@H]2Cc2ccc(O)cc2)cc1Br", "compound_inchikey": "FYUVNCKPPAQUEO-RMUDUWAUSA-N", "target_uniprot": "P41143", "target_gene": null, "target_family": null, "num_assays": 3, "num_sources": 3, "earliest_year": 2010, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SID24824251\nSMILES: Cc1ccc(C(=O)N[C@@H](C)CN2C3=NC[C@@H](Cc4ccccc4)N3C[C@H]2Cc2ccc(O)cc2)cc1Br\nTarget: P41143, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0140"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "5-Acetamido-9-(butylthioureido)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic Acid", "compound_smiles": "CCCCNC(=S)NC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O", "compound_inchikey": "BLYFBULOQVKIJB-NRFQWKTPSA-N", "target_uniprot": "Q99519", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 5-Acetamido-9-(butylthioureido)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic Acid\nSMILES: CCCCNC(=S)NC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O\nTarget: Q99519, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0141"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "ALECTINIB", "compound_smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O", "compound_inchikey": "KDGFLJKFZUIJMX-UHFFFAOYSA-N", "target_uniprot": "P06737", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: ALECTINIB\nSMILES: CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O\nTarget: P06737, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0142"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4242461", "compound_smiles": "O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccccc1", "compound_inchikey": "FICSYWUBABJDHB-UHFFFAOYSA-N", "target_uniprot": "Q14164", "target_gene": "IKK-epsilon", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4242461\nSMILES: O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccccc1\nTarget: IKK-epsilon (Q14164), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0143"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "4-Butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine", "compound_smiles": "CCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1", "compound_inchikey": "JPZHGBZYRNZXPJ-UHFFFAOYSA-N", "target_uniprot": "P42338", "target_gene": "PIK3CB", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2016, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-Butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine\nSMILES: CCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1\nTarget: PIK3CB (P42338), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0144"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(2R,3S,5R)-5-(1-(cyclopentylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-amine", "compound_smiles": "N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)C4CCCC4)c3C2)CO[C@@H]1c1cc(F)ccc1F", "compound_inchikey": "OQYMNVVXGACVAN-MFMILTCTSA-N", "target_uniprot": "Q6V1X1", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2015, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (2R,3S,5R)-5-(1-(cyclopentylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-amine\nSMILES: N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)C4CCCC4)c3C2)CO[C@@H]1c1cc(F)ccc1F\nTarget: Q6V1X1, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0145"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID859672", "compound_smiles": "CCn1cnc2sc(-c3ccccc3)cc2c1=O", "compound_inchikey": "XXJJMKJJSMFYRA-UHFFFAOYSA-N", "target_uniprot": "P55081", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID859672\nSMILES: CCn1cnc2sc(-c3ccccc3)cc2c1=O\nTarget: P55081, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0146"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4240504", "compound_smiles": "Cc1ccc(C(C(=O)NC2CCCCC2)N2CCCC2)cc1", "compound_inchikey": "IWLNQHMTSAKSQU-UHFFFAOYSA-N", "target_uniprot": "O60885", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4240504\nSMILES: Cc1ccc(C(C(=O)NC2CCCCC2)N2CCCC2)cc1\nTarget: O60885, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0147"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7973186", "compound_smiles": "CN(C)CC(=O)c1ccc(-c2ccccc2)cc1", "compound_inchikey": "BNFLSPBWCHLHEZ-UHFFFAOYSA-N", "target_uniprot": "Q9Y2Q3", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7973186\nSMILES: CN(C)CC(=O)c1ccc(-c2ccccc2)cc1\nTarget: Q9Y2Q3, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0148"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "FAMOTIDINE", "compound_smiles": "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1", "compound_inchikey": "XUFQPHANEAPEMJ-UHFFFAOYSA-N", "target_uniprot": "Q13574", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: FAMOTIDINE\nSMILES: NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1\nTarget: Q13574, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0149"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4243163", "compound_smiles": "COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1", "compound_inchikey": "NAUBTAFAWGFHBI-UHFFFAOYSA-N", "target_uniprot": "P57789", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4243163\nSMILES: COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1\nTarget: P57789, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0150"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin-1-yl)acetamide", "compound_smiles": "NC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1", "compound_inchikey": "YPIYIPYCTOJYAU-UHFFFAOYSA-N", "target_uniprot": "P20309", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2008, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin-1-yl)acetamide\nSMILES: NC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1\nTarget: P20309, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0151"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "US10849883, Compound 46b::US11559515, Compound 46b", "compound_smiles": "NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)c2ccccc12", "compound_inchikey": "GHHDSGNPIHKGJO-UHFFFAOYSA-N", "target_uniprot": "P00746", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2020, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US10849883, Compound 46b::US11559515, Compound 46b\nSMILES: NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)c2ccccc12\nTarget: P00746, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0152"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4255135", "compound_smiles": "O=C(CSc1nccc(O)n1)N1CCCc2ccccc21", "compound_inchikey": "KIZGKLVEHPMIQK-UHFFFAOYSA-N", "target_uniprot": "P50549", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4255135\nSMILES: O=C(CSc1nccc(O)n1)N1CCCc2ccccc21\nTarget: P50549, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0153"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "WHI-P131", "compound_smiles": "COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC", "compound_inchikey": "HOZUXBLMYUPGPZ-UHFFFAOYSA-N", "target_uniprot": "B2RXH2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: WHI-P131\nSMILES: COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC\nTarget: B2RXH2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0154"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID859672", "compound_smiles": "CCn1cnc2sc(-c3ccccc3)cc2c1=O", "compound_inchikey": "XXJJMKJJSMFYRA-UHFFFAOYSA-N", "target_uniprot": "P10635", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID859672\nSMILES: CCn1cnc2sc(-c3ccccc3)cc2c1=O\nTarget: P10635, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0155"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(piperidin-4-yl)-6-(6-(trifluoromethyl)pyridin-3-yl)-1,5-naphthyridin-4-amine", "compound_smiles": "FC(F)(F)c1ccc(-c2ccc3nccc(NC4CCNCC4)c3n2)cn1", "compound_inchikey": "XTBIJHLCFOXCAB-UHFFFAOYSA-N", "target_uniprot": "O95819", "target_gene": "MAP4K4", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(piperidin-4-yl)-6-(6-(trifluoromethyl)pyridin-3-yl)-1,5-naphthyridin-4-amine\nSMILES: FC(F)(F)c1ccc(-c2ccc3nccc(NC4CCNCC4)c3n2)cn1\nTarget: MAP4K4 (O95819), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0156"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "3-(1-methyl-1H-pyrazol-4-yl)-5-((R)-3-methyl-4-((1R,2R)-2-methylcyclopropane-1-carbonyl)piperazin-1-yl)pyrazine-2-carbonitrile", "compound_smiles": "C[C@@H]1C[C@H]1C(=O)N1CCN(c2cnc(C#N)c(-c3cnn(C)c3)n2)C[C@H]1C", "compound_inchikey": "GXEXIUKEWXZCEF-UMVBOHGHSA-N", "target_uniprot": "P27361", "target_gene": "ERK1", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2020, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-(1-methyl-1H-pyrazol-4-yl)-5-((R)-3-methyl-4-((1R,2R)-2-methylcyclopropane-1-carbonyl)piperazin-1-yl)pyrazine-2-carbonitrile\nSMILES: C[C@@H]1C[C@H]1C(=O)N1CCN(c2cnc(C#N)c(-c3cnn(C)c3)n2)C[C@H]1C\nTarget: ERK1 (P27361), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0157"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4247617", "compound_smiles": "Cc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C", "compound_inchikey": "RISOMZYXVKYFBK-UHFFFAOYSA-N", "target_uniprot": "P05177", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4247617\nSMILES: Cc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C\nTarget: P05177, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0158"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "7-(3-Methyl-5-(2-methyl-5-(piperidin-1-ylmethyl)phenyl)isoxazol-4-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one", "compound_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1onc(C)c1-c1ccc2c(c1)OCC(=O)N2", "compound_inchikey": "ATEQBDBQCUHGAY-UHFFFAOYSA-N", "target_uniprot": "Q9BZ95", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 7-(3-Methyl-5-(2-methyl-5-(piperidin-1-ylmethyl)phenyl)isoxazol-4-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one\nSMILES: Cc1ccc(CN2CCCCC2)cc1-c1onc(C)c1-c1ccc2c(c1)OCC(=O)N2\nTarget: Q9BZ95, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0159"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID851557", "compound_smiles": "CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1.Cl", "compound_inchikey": "SPCPHKWKHNJSJY-UHFFFAOYSA-N", "target_uniprot": "Q15573", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851557\nSMILES: CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1.Cl\nTarget: Q15573, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0160"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID844691", "compound_smiles": "COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1", "compound_inchikey": "TVVDBTNDTBPYCS-UHFFFAOYSA-N", "target_uniprot": "O14727", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID844691\nSMILES: COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1\nTarget: O14727, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0161"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "MUBRITINIB", "compound_smiles": "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1", "compound_inchikey": "ZTFBIUXIQYRUNT-MDWZMJQESA-N", "target_uniprot": "O60313", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: MUBRITINIB\nSMILES: FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1\nTarget: O60313, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0162"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7978350", "compound_smiles": "COC(=O)Cc1cc(O)nc(Nc2nc3ccccc3o2)n1", "compound_inchikey": "XEGSTCHAOIVDPY-UHFFFAOYSA-N", "target_uniprot": "P52566", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7978350\nSMILES: COC(=O)Cc1cc(O)nc(Nc2nc3ccccc3o2)n1\nTarget: P52566, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0163"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "MOLIBRESIB", "compound_smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21", "compound_inchikey": "AAAQFGUYHFJNHI-SFHVURJKSA-N", "target_uniprot": "P53350", "target_gene": "PLK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: MOLIBRESIB\nSMILES: CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21\nTarget: PLK1 (P53350), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0164"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "TRICIRIBINE PHOSPHATE", "compound_smiles": "CN1N=C(N)c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c3ncnc1c23", "compound_inchikey": "URLYINUFLXOMHP-HTVVRFAVSA-N", "target_uniprot": "P08069", "target_gene": "IGF1R", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: TRICIRIBINE PHOSPHATE\nSMILES: CN1N=C(N)c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c3ncnc1c23\nTarget: IGF1R (P08069), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0165"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4255135", "compound_smiles": "O=C(CSc1nccc(O)n1)N1CCCc2ccccc21", "compound_inchikey": "KIZGKLVEHPMIQK-UHFFFAOYSA-N", "target_uniprot": "Q6IN02", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4255135\nSMILES: O=C(CSc1nccc(O)n1)N1CCCc2ccccc21\nTarget: Q6IN02, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0166"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(S)-2-(2-imino-3-(4-methylbenzyl)-6-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyl)propan-1-ol", "compound_smiles": "Cc1ccc(C[C@@H](CO)n2c(=N)n(Cc3ccc(C)cc3)c3ccc(C(F)(F)F)cc32)cc1", "compound_inchikey": "QWHDLLLEWJWEIG-QFIPXVFZSA-N", "target_uniprot": "O43614", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-2-(2-imino-3-(4-methylbenzyl)-6-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyl)propan-1-ol\nSMILES: Cc1ccc(C[C@@H](CO)n2c(=N)n(Cc3ccc(C)cc3)c3ccc(C(F)(F)F)cc32)cc1\nTarget: O43614, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0167"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4255287", "compound_smiles": "C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1", "compound_inchikey": "FTKFYLWDLXFAOQ-UHFFFAOYSA-N", "target_uniprot": "P30989", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4255287\nSMILES: C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1\nTarget: P30989, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0168"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7967791", "compound_smiles": "CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c1", "compound_inchikey": "WWGQZUBMGLERMF-UHFFFAOYSA-N", "target_uniprot": "P98187", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7967791\nSMILES: CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c1\nTarget: P98187, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0169"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-methyl-5-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one", "compound_smiles": "Cc1cc2[nH]c(-c3ccccc3)cc(=O)n2n1", "compound_inchikey": "FZLIHGWFGWQVFH-UHFFFAOYSA-N", "target_uniprot": "Q06609", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-methyl-5-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one\nSMILES: Cc1cc2[nH]c(-c3ccccc3)cc(=O)n2n1\nTarget: Q06609, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0170"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "FLURBIPROFEN", "compound_smiles": "CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "compound_inchikey": "SYTBZMRGLBWNTM-UHFFFAOYSA-N", "target_uniprot": "Q8IM16", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: FLURBIPROFEN\nSMILES: CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1\nTarget: Q8IM16, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0171"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "2-(3-amino-1-phenyl-1H-1,2,4-triazol-5-ylthio)-N-methyl-N-phenylacetamide", "compound_smiles": "CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1", "compound_inchikey": "PLAZEIXTUPQVGE-UHFFFAOYSA-N", "target_uniprot": "P32189", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 2-(3-amino-1-phenyl-1H-1,2,4-triazol-5-ylthio)-N-methyl-N-phenylacetamide\nSMILES: CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1\nTarget: P32189, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0172"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(S)-1-(2-((4-Ethylphenyl)amino)-4-pyrimidinyl)-N-(4-methylbenzyl)-3-piperidinecarboxamide", "compound_smiles": "CCc1ccc(Nc2nccc(N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)n2)cc1", "compound_inchikey": "QHYFORHRKYKDOW-QFIPXVFZSA-N", "target_uniprot": "Q9UM73", "target_gene": "ALK", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2012, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-1-(2-((4-Ethylphenyl)amino)-4-pyrimidinyl)-N-(4-methylbenzyl)-3-piperidinecarboxamide\nSMILES: CCc1ccc(Nc2nccc(N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)n2)cc1\nTarget: ALK (Q9UM73), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0173"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "ENMD-2076", "compound_smiles": "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1", "compound_inchikey": "BLQYVHBZHAISJM-CMDGGOBGSA-N", "target_uniprot": "Q9HD26", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: ENMD-2076\nSMILES: Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1\nTarget: Q9HD26, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0174"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "5-chloro-3-(N-(3,4-diethoxyphenyl)-N-methylsulfamoyl)-N-(3-(methylsulfonyl)phenyl)thiophene-2-carboxamide", "compound_smiles": "CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1OCC", "compound_inchikey": "HSVQRKVBYUXPBX-UHFFFAOYSA-N", "target_uniprot": "P36956", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 5-chloro-3-(N-(3,4-diethoxyphenyl)-N-methylsulfamoyl)-N-(3-(methylsulfonyl)phenyl)thiophene-2-carboxamide\nSMILES: CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1OCC\nTarget: P36956, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0175"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(R)-2-cyclohexyl-N-methyl-2-(2-(3-(((S)-5-(pyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl)oxy)phenyl)acetamido)acetamide", "compound_smiles": "CNC(=O)[C@H](NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4cncnc4)ccc32)c1)C1CCCCC1", "compound_inchikey": "LEXYTVMWZODGDM-LMSSTIIKSA-N", "target_uniprot": "O60609", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (R)-2-cyclohexyl-N-methyl-2-(2-(3-(((S)-5-(pyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl)oxy)phenyl)acetamido)acetamide\nSMILES: CNC(=O)[C@H](NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4cncnc4)ccc32)c1)C1CCCCC1\nTarget: O60609, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0176"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "8'-chloro-1'-[trans-4-(2-pyridyloxy)cyclohexyl]spiro[1,3-dioxolane-2,5'-4,6-dihydro-[1,2,4]triazolo[4,3-a][1]benzazepine]", "compound_smiles": "Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1", "compound_inchikey": "LFXCGLFTXRJJLT-RUCARUNLSA-N", "target_uniprot": "P10632", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 8'-chloro-1'-[trans-4-(2-pyridyloxy)cyclohexyl]spiro[1,3-dioxolane-2,5'-4,6-dihydro-[1,2,4]triazolo[4,3-a][1]benzazepine]\nSMILES: Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1\nTarget: P10632, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0177"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4259590", "compound_smiles": "CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1", "compound_inchikey": "RYVQRYUXUQZUPT-UHFFFAOYSA-N", "target_uniprot": "P53667", "target_gene": "LIMK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4259590\nSMILES: CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1\nTarget: LIMK1 (P53667), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0178"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-cyclohexyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide", "compound_smiles": "O=C(NC1CCCCC1)c1cc2c(-c3ccccc3)[nH]nc2s1", "compound_inchikey": "MLSDGZDBIVDXEE-UHFFFAOYSA-N", "target_uniprot": "P53350", "target_gene": "PLK1", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2005, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-cyclohexyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide\nSMILES: O=C(NC1CCCCC1)c1cc2c(-c3ccccc3)[nH]nc2s1\nTarget: PLK1 (P53350), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0179"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID29215066", "compound_smiles": "COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)o2)cc1", "compound_inchikey": "NYQBHBXODXDEOK-UHFFFAOYSA-N", "target_uniprot": "Q08462", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID29215066\nSMILES: COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)o2)cc1\nTarget: Q08462, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0180"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "QAV680", "compound_smiles": "Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1", "compound_inchikey": "YOPFAMROKXHVCQ-UHFFFAOYSA-N", "target_uniprot": "P43119", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2013, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: QAV680\nSMILES: Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1\nTarget: P43119, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0181"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "1(5)-(4-bromo-3-methoxyphenyl)-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphane 4,4-dioxide", "compound_smiles": "COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Br", "compound_inchikey": "KRAYLQVJPUMBPE-UHFFFAOYSA-N", "target_uniprot": "P00519", "target_gene": "ABL1", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1(5)-(4-bromo-3-methoxyphenyl)-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphane 4,4-dioxide\nSMILES: COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Br\nTarget: ABL1 (P00519), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0182"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "DECERNOTINIB", "compound_smiles": "CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F", "compound_inchikey": "ASUGUQWIHMTFJL-QGZVFWFLSA-N", "target_uniprot": "P23246", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: DECERNOTINIB\nSMILES: CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F\nTarget: P23246, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0183"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "8-(4-carboxyphenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid", "compound_smiles": "O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(C(=O)O)cc3)c2OC1C(F)(F)F", "compound_inchikey": "NFHVCPLGEDPFFM-UHFFFAOYSA-N", "target_uniprot": "P23219", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 8-(4-carboxyphenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid\nSMILES: O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(C(=O)O)cc3)c2OC1C(F)(F)F\nTarget: P23219, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0184"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "LENIOLISIB", "compound_smiles": "CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1", "compound_inchikey": "MWKYMZXCGYXLPL-ZDUSSCGKSA-N", "target_uniprot": "P14416", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: LENIOLISIB\nSMILES: CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1\nTarget: P14416, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0185"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "5-Bromo-1H-indazole", "compound_smiles": "Brc1ccc2[nH]ncc2c1", "compound_inchikey": "STVHMYNPQCLUNJ-UHFFFAOYSA-N", "target_uniprot": "O14717", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 5-Bromo-1H-indazole\nSMILES: Brc1ccc2[nH]ncc2c1\nTarget: O14717, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0186"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "ETHYLSALVINORINB-2-O-MALONATE", "compound_smiles": "CCOC(=O)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O", "compound_inchikey": "NSQSBDZVBDVMKE-KRPMOIONSA-N", "target_uniprot": "P35372", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2013, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: ETHYLSALVINORINB-2-O-MALONATE\nSMILES: CCOC(=O)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O\nTarget: P35372, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0187"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-methyl-6-(4-(((3S,5R)-3-methyl-5-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)piperazin-1-yl)methyl)-2H-1,2,3-triazol-2-yl)nicotinonitrile", "compound_smiles": "Cc1cc(-n2ncc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)N[C@@H](C)C3)n2)ncc1C#N", "compound_inchikey": "NRCYDDLRPFXMNA-NYHFZMIOSA-N", "target_uniprot": "P78508", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-methyl-6-(4-(((3S,5R)-3-methyl-5-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)piperazin-1-yl)methyl)-2H-1,2,3-triazol-2-yl)nicotinonitrile\nSMILES: Cc1cc(-n2ncc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)N[C@@H](C)C3)n2)ncc1C#N\nTarget: P78508, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0188"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "1-(4-methoxy-phenyl)-7-oxo-6-(2'-pyrrolidin-1-ylmethyl-biphenyl-4-yl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid amide", "compound_smiles": "COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1", "compound_inchikey": "YJVFQVDWQUJXRE-UHFFFAOYSA-N", "target_uniprot": "P00740", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 3, "earliest_year": 2006, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1-(4-methoxy-phenyl)-7-oxo-6-(2'-pyrrolidin-1-ylmethyl-biphenyl-4-yl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid amide\nSMILES: COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1\nTarget: P00740, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0189"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4257392", "compound_smiles": "Cc1cccc(-n2c(SCCC(=O)O)nnc2-c2cccs2)c1C", "compound_inchikey": "CNGSFDONRCPXRF-UHFFFAOYSA-N", "target_uniprot": "P29475", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4257392\nSMILES: Cc1cccc(-n2c(SCCC(=O)O)nnc2-c2cccs2)c1C\nTarget: P29475, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0190"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID3712804", "compound_smiles": "CCN(CC)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1", "compound_inchikey": "QDUCWVIFLLKBSB-UHFFFAOYSA-N", "target_uniprot": "Q13535", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3712804\nSMILES: CCN(CC)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1\nTarget: Q13535, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0191"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SARACATINIB", "compound_smiles": "CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1", "compound_inchikey": "OUKYUETWWIPKQR-UHFFFAOYSA-N", "target_uniprot": "Q9UKU0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SARACATINIB\nSMILES: CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1\nTarget: Q9UKU0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0192"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-(3-((2-(4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl)ethyl)amino)phenyl)-2-methylpropanoic acid", "compound_smiles": "CC(C)(C(=O)O)c1cccc(CC(O)CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1", "compound_inchikey": "UQBOYIWIVMIHGS-UHFFFAOYSA-N", "target_uniprot": "P20309", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(3-((2-(4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl)ethyl)amino)phenyl)-2-methylpropanoic acid\nSMILES: CC(C)(C(=O)O)c1cccc(CC(O)CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1\nTarget: P20309, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0193"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "US10463675, Example 49::US10980815, Ex. No. 49::US11197867, Example 49::US9663526, Example 49", "compound_smiles": "O=C(C1CC1)N1[C@@H]2CC[C@H]1CN(c1ccnc(Nc3cn[nH]c3)n1)C2", "compound_inchikey": "SRTWRTBEWVYCJH-OKILXGFUSA-N", "target_uniprot": "P52333", "target_gene": "JAK3", "target_family": "kinase", "num_assays": 4, "num_sources": 3, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US10463675, Example 49::US10980815, Ex. No. 49::US11197867, Example 49::US9663526, Example 49\nSMILES: O=C(C1CC1)N1[C@@H]2CC[C@H]1CN(c1ccnc(Nc3cn[nH]c3)n1)C2\nTarget: JAK3 (P52333), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0194"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID851942", "compound_smiles": "CCc1ccc2nc(SCC(=O)N(CC)CC)c(C#N)cc2c1", "compound_inchikey": "XUSQAHSCPIIXTC-UHFFFAOYSA-N", "target_uniprot": "C7C422", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851942\nSMILES: CCc1ccc2nc(SCC(=O)N(CC)CC)c(C#N)cc2c1\nTarget: C7C422, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0195"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "Ethyl (S)-2-((4-(3-Methyl-4-(m-tolyl)piperazine-1-carbonyl)-2-nitrophenyl)thio)acetate", "compound_smiles": "CCOC(=O)CSc1ccc(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1[N+](=O)[O-]", "compound_inchikey": "MUGFHDCDOVHDAX-KRWDZBQOSA-N", "target_uniprot": "Q99685", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: Ethyl (S)-2-((4-(3-Methyl-4-(m-tolyl)piperazine-1-carbonyl)-2-nitrophenyl)thio)acetate\nSMILES: CCOC(=O)CSc1ccc(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1[N+](=O)[O-]\nTarget: Q99685, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0196"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "N-(4-(benzo[d]oxazol-2-yl)phenyl)benzenesulfonamide", "compound_smiles": "O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1", "compound_inchikey": "AKSLAHQXECQZQB-UHFFFAOYSA-N", "target_uniprot": "Q9Y286", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: N-(4-(benzo[d]oxazol-2-yl)phenyl)benzenesulfonamide\nSMILES: O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1\nTarget: Q9Y286, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0197"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID26667619", "compound_smiles": "COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1", "compound_inchikey": "FYANNMRFPSTTNG-UHFFFAOYSA-N", "target_uniprot": "O15379", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID26667619\nSMILES: COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1\nTarget: O15379, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0198"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID849018", "compound_smiles": "Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cc(C)on2)c1", "compound_inchikey": "DSCQFPVSTRSLER-UHFFFAOYSA-N", "target_uniprot": "P51149", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID849018\nSMILES: Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cc(C)on2)c1\nTarget: P51149, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0199"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SID49827447", "compound_smiles": "Cc1ccnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1", "compound_inchikey": "RHYNLNMKHHGIKE-UHFFFAOYSA-N", "target_uniprot": "Q13285", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2013, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SID49827447\nSMILES: Cc1ccnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1\nTarget: Q13285, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0200"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "Methyl 4-((2-nitrobenzyl)amino)-1H-indazole-6-carboxylate", "compound_smiles": "COC(=O)c1cc(NCc2ccccc2[N+](=O)[O-])c2cn[nH]c2c1", "compound_inchikey": "HQCADLWNIILIHV-UHFFFAOYSA-N", "target_uniprot": "P48775", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2022, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: Methyl 4-((2-nitrobenzyl)amino)-1H-indazole-6-carboxylate\nSMILES: COC(=O)c1cc(NCc2ccccc2[N+](=O)[O-])c2cn[nH]c2c1\nTarget: P48775, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0201"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4261286", "compound_smiles": "O=c1[nH]c(=S)c2c(n1-c1ccccc1)CCC2", "compound_inchikey": "ZQPGVNGOSNPLPX-UHFFFAOYSA-N", "target_uniprot": "Q6PCT2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4261286\nSMILES: O=c1[nH]c(=S)c2c(n1-c1ccccc1)CCC2\nTarget: Q6PCT2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0202"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "4-((3,4-dihydroquinolin-1(2H)-yl)methyl)-N-hydroxybenzamide", "compound_smiles": "O=C(NO)c1ccc(CN2CCCc3ccccc32)cc1", "compound_inchikey": "NQVDRCWYKLNRPA-UHFFFAOYSA-N", "target_uniprot": "Q13547", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2019, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-((3,4-dihydroquinolin-1(2H)-yl)methyl)-N-hydroxybenzamide\nSMILES: O=C(NO)c1ccc(CN2CCCc3ccccc32)cc1\nTarget: Q13547, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0203"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "[2-(3-fluorophenyl)-1,3-oxazol-4-yl](1H-pyrazol-1-yl)methanone", "compound_smiles": "O=C(c1coc(-c2cccc(F)c2)n1)n1cccn1", "compound_inchikey": "VKOHOKRSECNLPW-UHFFFAOYSA-N", "target_uniprot": "Q07343", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: [2-(3-fluorophenyl)-1,3-oxazol-4-yl](1H-pyrazol-1-yl)methanone\nSMILES: O=C(c1coc(-c2cccc(F)c2)n1)n1cccn1\nTarget: Q07343, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0204"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SID57263403", "compound_smiles": "COc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2", "compound_inchikey": "PNZCUZYLJSTYLW-UHFFFAOYSA-N", "target_uniprot": "Q9HC16", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 3, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SID57263403\nSMILES: COc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2\nTarget: Q9HC16, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0205"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "NOVOBIOCIN", "compound_smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C", "compound_inchikey": "YJQPYGGHQPGBLI-KGSXXDOSSA-N", "target_uniprot": "O75417", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: NOVOBIOCIN\nSMILES: CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C\nTarget: O75417, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0206"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4245574", "compound_smiles": "CCC(Sc1nc(C)cc(O)n1)C(=O)Nc1nc2c(s1)CCCC2", "compound_inchikey": "JTDWUZNQNOVCKN-UHFFFAOYSA-N", "target_uniprot": "P08485", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4245574\nSMILES: CCC(Sc1nc(C)cc(O)n1)C(=O)Nc1nc2c(s1)CCCC2\nTarget: P08485, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0207"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7975041", "compound_smiles": "CNC(=O)C(Sc1ccccc1)c1ccccc1", "compound_inchikey": "IZPRKJSUKRJRKJ-UHFFFAOYSA-N", "target_uniprot": "Q9R0C9", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7975041\nSMILES: CNC(=O)C(Sc1ccccc1)c1ccccc1\nTarget: Q9R0C9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0208"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(2-((S)-2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-6-(3-fluoro-2-methoxypropoxy)quinoline-4-carboxamide", "compound_smiles": "COC(CF)COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1", "compound_inchikey": "SAMIYVQLNQQZGC-CFMCSPIPSA-N", "target_uniprot": "Q9UHL4", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(2-((S)-2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-6-(3-fluoro-2-methoxypropoxy)quinoline-4-carboxamide\nSMILES: COC(CF)COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1\nTarget: Q9UHL4, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0209"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "JNJ-38877605", "compound_smiles": "Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1", "compound_inchikey": "JRWCBEOAFGHNNU-UHFFFAOYSA-N", "target_uniprot": "Q9UPW6", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: JNJ-38877605\nSMILES: Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1\nTarget: Q9UPW6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0210"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID3715063", "compound_smiles": "O=C(Cn1nnc(-c2ccccc2)n1)OCc1csc(-c2ccccc2)n1", "compound_inchikey": "PFKUVAMJQBTZPQ-UHFFFAOYSA-N", "target_uniprot": "O15439", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3715063\nSMILES: O=C(Cn1nnc(-c2ccccc2)n1)OCc1csc(-c2ccccc2)n1\nTarget: O15439, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0211"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-(5-(4-Isopropylpiperazin-1-yl)pentyl)-6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-amine", "compound_smiles": "COc1cc2nc(N3CCCC3)nc(NCCCCCN3CCN(C(C)C)CC3)c2cc1OC", "compound_inchikey": "UIPOVMXYICVCAY-UHFFFAOYSA-N", "target_uniprot": "Q9NQR1", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2014, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(5-(4-Isopropylpiperazin-1-yl)pentyl)-6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-amine\nSMILES: COc1cc2nc(N3CCCC3)nc(NCCCCCN3CCN(C(C)C)CC3)c2cc1OC\nTarget: Q9NQR1, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0212"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4254567", "compound_smiles": "COc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12", "compound_inchikey": "XMAQQXKECYXMLN-UHFFFAOYSA-N", "target_uniprot": "O75874", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4254567\nSMILES: COc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12\nTarget: O75874, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0213"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7976733", "compound_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=N/O", "compound_inchikey": "BFBMAYWZMKDZFY-KAQIVPQOSA-N", "target_uniprot": "P50750", "target_gene": "CDK9", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7976733\nSMILES: CC(C)=CCC/C(C)=C/CC/C(C)=N/O\nTarget: CDK9 (P50750), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0214"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID24839062", "compound_smiles": "Cc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCCN(C)C)cc1C", "compound_inchikey": "UNVZFPAVCQIWCI-UHFFFAOYSA-N", "target_uniprot": "O00625", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID24839062\nSMILES: Cc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCCN(C)C)cc1C\nTarget: O00625, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0215"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "FOSTAMATINIB", "compound_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC", "compound_inchikey": "GKDRMWXFWHEQQT-UHFFFAOYSA-N", "target_uniprot": "A6NNZ2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: FOSTAMATINIB\nSMILES: COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC\nTarget: A6NNZ2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0216"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4259590", "compound_smiles": "CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1", "compound_inchikey": "RYVQRYUXUQZUPT-UHFFFAOYSA-N", "target_uniprot": "P21439", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4259590\nSMILES: CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1\nTarget: P21439, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0217"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "CHLORAMBUCIL", "compound_smiles": "O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1", "compound_inchikey": "JCKYGMPEJWAADB-UHFFFAOYSA-N", "target_uniprot": "Q9Y2K6", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: CHLORAMBUCIL\nSMILES: O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1\nTarget: Q9Y2K6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0218"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID850754", "compound_smiles": "COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1", "compound_inchikey": "OTNSMZRSMCHOSW-UHFFFAOYSA-N", "target_uniprot": "Q7L8S5", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID850754\nSMILES: COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1\nTarget: Q7L8S5, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0219"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "FANANSERIN", "compound_smiles": "O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1", "compound_inchikey": "VGIGHGMPMUCLIQ-UHFFFAOYSA-N", "target_uniprot": "P23975", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: FANANSERIN\nSMILES: O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1\nTarget: P23975, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0220"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "2-Phenyl-3H-indol-3-one 1-Oxide", "compound_smiles": "O=C1C(c2ccccc2)=[N+]([O-])c2ccccc21", "compound_inchikey": "WXFLHMJSSLDOPA-UHFFFAOYSA-N", "target_uniprot": "O14727", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-Phenyl-3H-indol-3-one 1-Oxide\nSMILES: O=C1C(c2ccccc2)=[N+]([O-])c2ccccc21\nTarget: O14727, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0221"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4250224", "compound_smiles": "CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1", "compound_inchikey": "BVCZGIWUAVZBNX-UHFFFAOYSA-N", "target_uniprot": "Q08257", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4250224\nSMILES: CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1\nTarget: Q08257, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0222"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N7-butyl-3-ethyl-1-{[3-methoxy-5-(piperidin-4-yl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine", "compound_smiles": "CCCCNc1nc(N)nc2c(CC)nn(Cc3ncc(C4CCNCC4)cc3OC)c12", "compound_inchikey": "BAJWCHGXIJXYHX-UHFFFAOYSA-N", "target_uniprot": "Q12809", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N7-butyl-3-ethyl-1-{[3-methoxy-5-(piperidin-4-yl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine\nSMILES: CCCCNc1nc(N)nc2c(CC)nn(Cc3ncc(C4CCNCC4)cc3OC)c12\nTarget: Q12809, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0223"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "7-pentyl-8-(phenethylthio)-3,7-dihydro-1H-purine-2,6-dione", "compound_smiles": "CCCCCn1c(SCCc2ccccc2)nc2[nH]c(=O)[nH]c(=O)c21", "compound_inchikey": "WIBVAKGONKYJGM-UHFFFAOYSA-N", "target_uniprot": "Q9HC29", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 7-pentyl-8-(phenethylthio)-3,7-dihydro-1H-purine-2,6-dione\nSMILES: CCCCCn1c(SCCc2ccccc2)nc2[nH]c(=O)[nH]c(=O)c21\nTarget: Q9HC29, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0224"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "RIVASTIGMINE", "compound_smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1", "compound_inchikey": "XSVMFMHYUFZWBK-NSHDSACASA-N", "target_uniprot": "P27338", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2020, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: RIVASTIGMINE\nSMILES: CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1\nTarget: P27338, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0225"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID846908", "compound_smiles": "O=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1", "compound_inchikey": "BJRZPNPEJRGYAK-UHFFFAOYSA-N", "target_uniprot": "P29965", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID846908\nSMILES: O=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1\nTarget: P29965, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0226"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "AFATINIB", "compound_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1", "compound_inchikey": "ULXXDDBFHOBEHA-CWDCEQMOSA-N", "target_uniprot": "P30519", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: AFATINIB\nSMILES: CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1\nTarget: P30519, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0227"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-(4-((4-(dimethylamino)phenyl)amino)quinazolin-2-yl)-2-fluorobenzonitrile", "compound_smiles": "CN(C)c1ccc(Nc2nc(-c3ccc(C#N)c(F)c3)nc3ccccc23)cc1", "compound_inchikey": "KATJCXVFUONEPC-UHFFFAOYSA-N", "target_uniprot": "O60341", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-(4-((4-(dimethylamino)phenyl)amino)quinazolin-2-yl)-2-fluorobenzonitrile\nSMILES: CN(C)c1ccc(Nc2nc(-c3ccc(C#N)c(F)c3)nc3ccccc23)cc1\nTarget: O60341, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0228"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "9-cyclopropyl-N-methyl-9H-purin-6-amine", "compound_smiles": "CNc1ncnc2c1ncn2C1CC1", "compound_inchikey": "GSKXLJNKAAXSOE-UHFFFAOYSA-N", "target_uniprot": "Q96MU7", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2022, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 9-cyclopropyl-N-methyl-9H-purin-6-amine\nSMILES: CNc1ncnc2c1ncn2C1CC1\nTarget: Q96MU7, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0229"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "3-(4-methoxyphenyl)-7-((2,4,6-trimethylbenzyl)oxy)-4H-chromen-4-one", "compound_smiles": "COc1ccc(C2COc3cc(OCc4c(C)cc(C)cc4C)ccc3C2=O)cc1", "compound_inchikey": "RNPMBRVHVZNARZ-UHFFFAOYSA-N", "target_uniprot": "Q9HBA0", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-(4-methoxyphenyl)-7-((2,4,6-trimethylbenzyl)oxy)-4H-chromen-4-one\nSMILES: COc1ccc(C2COc3cc(OCc4c(C)cc(C)cc4C)ccc3C2=O)cc1\nTarget: Q9HBA0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0230"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7974904", "compound_smiles": "CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O", "compound_inchikey": "HXPXGZMWNCTIDE-UHFFFAOYSA-N", "target_uniprot": "O14880", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7974904\nSMILES: CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O\nTarget: O14880, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0231"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID3717342", "compound_smiles": "COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)oc1C", "compound_inchikey": "FYXYUPRHTJRYHR-UHFFFAOYSA-N", "target_uniprot": "O14607", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3717342\nSMILES: COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)oc1C\nTarget: O14607, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0232"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "MELATONIN", "compound_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "compound_inchikey": "DRLFMBDRBRZALE-UHFFFAOYSA-N", "target_uniprot": "Q99836", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: MELATONIN\nSMILES: COc1ccc2[nH]cc(CCNC(C)=O)c2c1\nTarget: Q99836, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0233"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "(E)-3-(4-methoxyphenylimino)indolin-2-one", "compound_smiles": "COc1ccc(/N=C2\\C(=O)Nc3ccccc32)cc1", "compound_inchikey": "PXSATUQXASGWQE-UHFFFAOYSA-N", "target_uniprot": "P35367", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: (E)-3-(4-methoxyphenylimino)indolin-2-one\nSMILES: COc1ccc(/N=C2\\C(=O)Nc3ccccc32)cc1\nTarget: P35367, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0234"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "UCN-01", "compound_smiles": "CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O", "compound_inchikey": "PBCZSGKMGDDXIJ-KRUBCLEUSA-N", "target_uniprot": "P78368", "target_gene": "CSNK1G2", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: UCN-01\nSMILES: CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O\nTarget: CSNK1G2 (P78368), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0235"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(S)-N-(4-(((2S,5R)-5-((R)-Hydroxy(phenyl)methyl)pyrrolidin-2-yl)-methyl)phenyl)-2-(6-oxopyridazin-1(6H)-yl)propanamide", "compound_smiles": "C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O", "compound_inchikey": "PBXGYXYBIGMVQD-KBABAZTHSA-N", "target_uniprot": "Q14524", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2016, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-N-(4-(((2S,5R)-5-((R)-Hydroxy(phenyl)methyl)pyrrolidin-2-yl)-methyl)phenyl)-2-(6-oxopyridazin-1(6H)-yl)propanamide\nSMILES: C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O\nTarget: Q14524, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0236"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4256641", "compound_smiles": "COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1", "compound_inchikey": "HBAKYYPAFFDXGL-UHFFFAOYSA-N", "target_uniprot": "Q15366", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4256641\nSMILES: COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1\nTarget: Q15366, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0237"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID849018", "compound_smiles": "Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cc(C)on2)c1", "compound_inchikey": "DSCQFPVSTRSLER-UHFFFAOYSA-N", "target_uniprot": "P28222", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID849018\nSMILES: Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cc(C)on2)c1\nTarget: P28222, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0238"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "7-isopentyl-1,3-dimethyl-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione", "compound_smiles": "CC(C)CCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C", "compound_inchikey": "RWDUJGFYBUYWIE-UHFFFAOYSA-N", "target_uniprot": "Q13153", "target_gene": "PAK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: 7-isopentyl-1,3-dimethyl-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione\nSMILES: CC(C)CCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C\nTarget: PAK1 (Q13153), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0239"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-(5-((4-(Tertbutyl)phenyl)amino)pyridin-3-yl)-2-hydroxybenzoic acid", "compound_smiles": "CC(C)(C)c1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1", "compound_inchikey": "QDFBXWOUFPVFCS-UHFFFAOYSA-N", "target_uniprot": "Q96S37", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-(5-((4-(Tertbutyl)phenyl)amino)pyridin-3-yl)-2-hydroxybenzoic acid\nSMILES: CC(C)(C)c1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1\nTarget: Q96S37, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0240"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "CHLORAMBUCIL", "compound_smiles": "O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1", "compound_inchikey": "JCKYGMPEJWAADB-UHFFFAOYSA-N", "target_uniprot": "P23458", "target_gene": "JAK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: CHLORAMBUCIL\nSMILES: O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1\nTarget: JAK1 (P23458), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0241"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "ACETARSONE", "compound_smiles": "CC(=O)Nc1cc([As](=O)(O)O)ccc1O", "compound_inchikey": "ODFJOVXVLFUVNQ-UHFFFAOYSA-N", "target_uniprot": "Q8NBQ5", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: ACETARSONE\nSMILES: CC(=O)Nc1cc([As](=O)(O)O)ccc1O\nTarget: Q8NBQ5, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0242"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID844654", "compound_smiles": "O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1)c1ccco1", "compound_inchikey": "POGSBIMVYXWKSS-UHFFFAOYSA-N", "target_uniprot": "Q96KB5", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID844654\nSMILES: O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1)c1ccco1\nTarget: Q96KB5, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0243"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "XL-019", "compound_smiles": "O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1", "compound_inchikey": "ISOCDPQFIXDIMS-UHFFFAOYSA-N", "target_uniprot": "Q8IW41", "target_gene": "MAPKAPK5", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: XL-019\nSMILES: O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1\nTarget: MAPKAPK5 (Q8IW41), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0244"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID862134", "compound_smiles": "C[N+]1=C2c3ccccc3N=CN2CC1.[I-]", "compound_inchikey": "KZWFURVTGVQJEK-UHFFFAOYSA-M", "target_uniprot": "Q00534", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID862134\nSMILES: C[N+]1=C2c3ccccc3N=CN2CC1.[I-]\nTarget: Q00534, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0245"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7974486", "compound_smiles": "COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1", "compound_inchikey": "JWBPRZWEKRGVEE-UHFFFAOYSA-N", "target_uniprot": "Q9H7Z6", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7974486\nSMILES: COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1\nTarget: Q9H7Z6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0246"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "3-(8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl)phenol", "compound_smiles": "Oc1cccc(N2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c1", "compound_inchikey": "BVLZIQUNGHDQHD-BGYRXZFFSA-N", "target_uniprot": "P41145", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-(8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl)phenol\nSMILES: Oc1cccc(N2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c1\nTarget: P41145, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0247"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(1H-benzo[d]imidazol-6-yl)-2-(4-bromophenoxy)acetamide", "compound_smiles": "O=C(COc1ccc(Br)cc1)Nc1ccc2nc[nH]c2c1", "compound_inchikey": "OMPWLXOPMAMOCA-UHFFFAOYSA-N", "target_uniprot": "Q9H244", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(1H-benzo[d]imidazol-6-yl)-2-(4-bromophenoxy)acetamide\nSMILES: O=C(COc1ccc(Br)cc1)Nc1ccc2nc[nH]c2c1\nTarget: Q9H244, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0248"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4256969", "compound_smiles": "Oc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1", "compound_inchikey": "YAFAIISMUIZKNL-UHFFFAOYSA-N", "target_uniprot": "P18031", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4256969\nSMILES: Oc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1\nTarget: P18031, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0249"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(S)-5-(2-(cyclopropanecarboxamido)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-(3-fluorophenyl)ethyl)-1-methyl-1H-indole-3-carboxamide", "compound_smiles": "C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)cc12)c1cccc(F)c1", "compound_inchikey": "MMHXIUIFLQILFX-INIZCTEOSA-N", "target_uniprot": "Q9Y572", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-5-(2-(cyclopropanecarboxamido)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-(3-fluorophenyl)ethyl)-1-methyl-1H-indole-3-carboxamide\nSMILES: C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)cc12)c1cccc(F)c1\nTarget: Q9Y572, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0250"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7972262", "compound_smiles": "COC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1", "compound_inchikey": "AKNHFZVXJDNNJF-UHFFFAOYSA-N", "target_uniprot": "P14416", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7972262\nSMILES: COC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1\nTarget: P14416, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0251"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Nal-Thr(PO3H2)-Pro-tBuGly-Gln-NH2", "compound_smiles": "CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)(C)C)[C@H](C)OP(=O)(O)O", "compound_inchikey": "FPLZMNPIKVRWQD-HLLCLACBSA-N", "target_uniprot": "Q13526", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2006, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Nal-Thr(PO3H2)-Pro-tBuGly-Gln-NH2\nSMILES: CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)(C)C)[C@H](C)OP(=O)(O)O\nTarget: Q13526, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0252"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "PENTOXIFYLLINE", "compound_smiles": "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "compound_inchikey": "BYPFEZZEUUWMEJ-UHFFFAOYSA-N", "target_uniprot": "P41586", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: PENTOXIFYLLINE\nSMILES: CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O\nTarget: P41586, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0253"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(3-(benzyl(propyl)amino)propyl)-5-phenylthiophene-2-carboxamide", "compound_smiles": "CCCN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccccc1", "compound_inchikey": "VLRKJLHBCPYEDK-UHFFFAOYSA-N", "target_uniprot": "P61073", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(3-(benzyl(propyl)amino)propyl)-5-phenylthiophene-2-carboxamide\nSMILES: CCCN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccccc1\nTarget: P61073, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0254"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7967769", "compound_smiles": "CCN(CC)S(=O)(=O)c1ccc(-c2nnc3sc4cccc(C)c4n23)cc1", "compound_inchikey": "PNLQEEOOYGAIBO-UHFFFAOYSA-N", "target_uniprot": "Q9HD36", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7967769\nSMILES: CCN(CC)S(=O)(=O)c1ccc(-c2nnc3sc4cccc(C)c4n23)cc1\nTarget: Q9HD36, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0255"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "VARLITINIB", "compound_smiles": "C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1", "compound_inchikey": "UWXSAYUXVSFDBQ-CYBMUJFWSA-N", "target_uniprot": "O96013", "target_gene": "PAK4", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: VARLITINIB\nSMILES: C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1\nTarget: PAK4 (O96013), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0256"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "5-(N-ETHYL-N-ISOPROPYL)AMILORIDE", "compound_smiles": "CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C", "compound_inchikey": "QDERNBXNXJCIQK-UHFFFAOYSA-N", "target_uniprot": "O95264", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 5-(N-ETHYL-N-ISOPROPYL)AMILORIDE\nSMILES: CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C\nTarget: O95264, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0257"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "6-(pyridin-3-yl)-1H-benzo[d]imidazole", "compound_smiles": "c1cncc(-c2ccc3nc[nH]c3c2)c1", "compound_inchikey": "PJQQTVCKUXLOCR-UHFFFAOYSA-N", "target_uniprot": "Q16769", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 6-(pyridin-3-yl)-1H-benzo[d]imidazole\nSMILES: c1cncc(-c2ccc3nc[nH]c3c2)c1\nTarget: Q16769, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0258"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2,4-dimethyl-N-(1-(pyridin-3-yl)azetidin-3-yl)-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxamide", "compound_smiles": "Cc1cc(C)c2c(n1)CN(C(=O)NC1CN(c3cccnc3)C1)C2", "compound_inchikey": "NBNYOARIZPPLRV-UHFFFAOYSA-N", "target_uniprot": "P08172", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2,4-dimethyl-N-(1-(pyridin-3-yl)azetidin-3-yl)-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxamide\nSMILES: Cc1cc(C)c2c(n1)CN(C(=O)NC1CN(c3cccnc3)C1)C2\nTarget: P08172, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0259"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID852593", "compound_smiles": "C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1", "compound_inchikey": "MZXQZQFSQQBJOG-UHFFFAOYSA-N", "target_uniprot": "P28222", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID852593\nSMILES: C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1\nTarget: P28222, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0260"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(R)-2-acetoxy-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate", "compound_smiles": "CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O", "compound_inchikey": "HVAUUPRFYPCOCA-AREMUKBSSA-N", "target_uniprot": "P18089", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (R)-2-acetoxy-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate\nSMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O\nTarget: P18089, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0261"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "US11584714, Compound 1091", "compound_smiles": "C[C@H](NC(=O)[C@H](N)C1Cc2ccccc2C1)C(=O)NCc1ccc2nc(N)ccc2c1", "compound_inchikey": "HUCASXXSJGWRMK-RCDICMHDSA-N", "target_uniprot": "Q9UJ71", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2025, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US11584714, Compound 1091\nSMILES: C[C@H](NC(=O)[C@H](N)C1Cc2ccccc2C1)C(=O)NCc1ccc2nc(N)ccc2c1\nTarget: Q9UJ71, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0262"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-(3,4-bis(4-(benzyloxy)phenyl)isoxazol-5-yl)acetic acid", "compound_smiles": "O=C(O)Cc1onc(-c2ccc(OCc3ccccc3)cc2)c1-c1ccc(OCc2ccccc2)cc1", "compound_inchikey": "HOJRQRYTTARUDP-UHFFFAOYSA-N", "target_uniprot": "P35354", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(3,4-bis(4-(benzyloxy)phenyl)isoxazol-5-yl)acetic acid\nSMILES: O=C(O)Cc1onc(-c2ccc(OCc3ccccc3)cc2)c1-c1ccc(OCc2ccccc2)cc1\nTarget: P35354, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0263"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "methyl 2-(4-fluorophenyl)-4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxobutanoate", "compound_smiles": "COC(=O)C(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(F)cc1", "compound_inchikey": "GFUZEMYFFJKNOI-UHFFFAOYSA-N", "target_uniprot": "P00338", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: methyl 2-(4-fluorophenyl)-4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxobutanoate\nSMILES: COC(=O)C(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(F)cc1\nTarget: P00338, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0264"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-Neopentyl-4-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine Bis(2,2,2-trifluoroacetate)", "compound_smiles": "CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F", "compound_inchikey": "GTXTZXYNYFDAMM-UHFFFAOYSA-N", "target_uniprot": "P25021", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2019, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-Neopentyl-4-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine Bis(2,2,2-trifluoroacetate)\nSMILES: CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F\nTarget: P25021, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0265"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID3711260", "compound_smiles": "O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1", "compound_inchikey": "CFPAPTHPFYHAJT-UHFFFAOYSA-N", "target_uniprot": "O75469", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3711260\nSMILES: O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1\nTarget: O75469, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0266"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "10-(4-chlorophenyl)-7-(trifluoromethyl)-10Hpyrimido[4,5-b]quinoline-2,4-dione", "compound_smiles": "O=c1nc2n(-c3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc3cc-2c(=O)[nH]1", "compound_inchikey": "ZTZYBNUYEAZOPE-UHFFFAOYSA-N", "target_uniprot": "Q00987", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2013, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 10-(4-chlorophenyl)-7-(trifluoromethyl)-10Hpyrimido[4,5-b]quinoline-2,4-dione\nSMILES: O=c1nc2n(-c3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc3cc-2c(=O)[nH]1\nTarget: Q00987, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0267"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "PALBOCICLIB", "compound_smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O", "compound_inchikey": "AHJRHEGDXFFMBM-UHFFFAOYSA-N", "target_uniprot": "P78325", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: PALBOCICLIB\nSMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O\nTarget: P78325, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0268"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-((S)-1-(((1R,2R)-2-(benzyloxy)-1-cyanopropyl)amino)-3-(3-chlorophenyl)-1-oxopropan-2-yl)-[1,1'-biphenyl]-3-carboxamide", "compound_smiles": "C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-c2ccccc2)c1", "compound_inchikey": "HMRWYWBGKLAOAI-YYSPBGNDSA-N", "target_uniprot": "P43235", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2021, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-((S)-1-(((1R,2R)-2-(benzyloxy)-1-cyanopropyl)amino)-3-(3-chlorophenyl)-1-oxopropan-2-yl)-[1,1'-biphenyl]-3-carboxamide\nSMILES: C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-c2ccccc2)c1\nTarget: P43235, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0269"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "MOLIBRESIB", "compound_smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21", "compound_inchikey": "AAAQFGUYHFJNHI-SFHVURJKSA-N", "target_uniprot": "Q13183", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: MOLIBRESIB\nSMILES: CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21\nTarget: Q13183, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0270"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4264299", "compound_smiles": "COc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1", "compound_inchikey": "ORYXQCBCLOXGGZ-UHFFFAOYSA-N", "target_uniprot": "Q9NXB9", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4264299\nSMILES: COc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1\nTarget: Q9NXB9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0271"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4256969", "compound_smiles": "Oc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1", "compound_inchikey": "YAFAIISMUIZKNL-UHFFFAOYSA-N", "target_uniprot": "Q6ZWH5", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4256969\nSMILES: Oc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1\nTarget: Q6ZWH5, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0272"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "MK 1903", "compound_smiles": "O=C(O)c1n[nH]c2c1C[C@H]1C[C@@H]21", "compound_inchikey": "CUTZNERBKDMLAP-QWWZWVQMSA-N", "target_uniprot": "P47898", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: MK 1903\nSMILES: O=C(O)c1n[nH]c2c1C[C@H]1C[C@@H]21\nTarget: P47898, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0273"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenylsulfanyl-butyl)-cyclopentyl]-heptanoic acid", "compound_smiles": "O=C(O)CCCCCC[C@@H]1[C@@H](CCC(O)CSc2ccccc2)[C@H](O)C[C@@H]1O", "compound_inchikey": "CHDOVUGJRCWTAC-HOPUUNBDSA-N", "target_uniprot": "P21731", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2000, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenylsulfanyl-butyl)-cyclopentyl]-heptanoic acid\nSMILES: O=C(O)CCCCCC[C@@H]1[C@@H](CCC(O)CSc2ccccc2)[C@H](O)C[C@@H]1O\nTarget: P21731, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0274"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "6-Methyl-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine", "compound_smiles": "CC1=Nn2c(nnc2-c2cc(-c3ccccc3)[nH]n2)SC1", "compound_inchikey": "QQVGHUIRXGIOEX-UHFFFAOYSA-N", "target_uniprot": "P00374", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 6-Methyl-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine\nSMILES: CC1=Nn2c(nnc2-c2cc(-c3ccccc3)[nH]n2)SC1\nTarget: P00374, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0275"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID849423", "compound_smiles": "COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21", "compound_inchikey": "IATHJFKFOKZCOK-UHFFFAOYSA-N", "target_uniprot": "Q7L7X3", "target_gene": "TAOK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID849423\nSMILES: COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21\nTarget: TAOK1 (Q7L7X3), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0276"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "5-(5-Methanesulfonyl-2-{[(2S)-1,1,1-trifluoropropan-2-yl]-oxy}benzoyl)-2-(3-methylphenyl)-2H,4H,5H,6H-pyrrolo[3,4-c]-pyrazole", "compound_smiles": "Cc1cccc(-n2cc3c(n2)CN(C(=O)c2cc(S(C)(=O)=O)ccc2O[C@@H](C)C(F)(F)F)C3)c1", "compound_inchikey": "IAIFDVUVYFIYKI-HNNXBMFYSA-N", "target_uniprot": "P05177", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2018, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 5-(5-Methanesulfonyl-2-{[(2S)-1,1,1-trifluoropropan-2-yl]-oxy}benzoyl)-2-(3-methylphenyl)-2H,4H,5H,6H-pyrrolo[3,4-c]-pyrazole\nSMILES: Cc1cccc(-n2cc3c(n2)CN(C(=O)c2cc(S(C)(=O)=O)ccc2O[C@@H](C)C(F)(F)F)C3)c1\nTarget: P05177, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0277"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "5-(N-ETHYL-N-ISOPROPYL)AMILORIDE", "compound_smiles": "CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C", "compound_inchikey": "QDERNBXNXJCIQK-UHFFFAOYSA-N", "target_uniprot": "O75460", "target_gene": "ERN1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: 5-(N-ETHYL-N-ISOPROPYL)AMILORIDE\nSMILES: CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C\nTarget: ERN1 (O75460), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0278"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "4-{[(1R)-1-(4-Chlorophenyl)ethyl]amino}-6-(3-pyridinyl)-3-quinolinecarboxylic acid", "compound_smiles": "C[C@@H](Nc1c(C(=O)O)cnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1", "compound_inchikey": "CTSKGPCOFZYIBJ-CQSZACIVSA-N", "target_uniprot": "Q13535", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2016, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-{[(1R)-1-(4-Chlorophenyl)ethyl]amino}-6-(3-pyridinyl)-3-quinolinecarboxylic acid\nSMILES: C[C@@H](Nc1c(C(=O)O)cnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1\nTarget: Q13535, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0279"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "3-methylglutarimide", "compound_smiles": "CC1CC(=O)NC(=O)C1", "compound_inchikey": "OTQNZVVDFWNHDO-UHFFFAOYSA-N", "target_uniprot": "Q96SW2", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-methylglutarimide\nSMILES: CC1CC(=O)NC(=O)C1\nTarget: Q96SW2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0280"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "Eugenine", "compound_smiles": "CCO[C@H]1O[C@@H]2CC=C3CCN(C)[C@H]3[C@@H]2c2cc(OC)c(O)cc21", "compound_inchikey": "JGPAYRXJLAYVKL-OWYHZJEWSA-N", "target_uniprot": "P22303", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: Eugenine\nSMILES: CCO[C@H]1O[C@@H]2CC=C3CCN(C)[C@H]3[C@@H]2c2cc(OC)c(O)cc21\nTarget: P22303, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0281"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-(3-(Dimethylamino)propoxy)-N-(2-(4-(trifluoromethyl)phenoxy)phenyl)benzenesulfonamide", "compound_smiles": "CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1", "compound_inchikey": "MIQBZIHTIZXTRS-UHFFFAOYSA-N", "target_uniprot": "O95180", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-(3-(Dimethylamino)propoxy)-N-(2-(4-(trifluoromethyl)phenoxy)phenyl)benzenesulfonamide\nSMILES: CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1\nTarget: O95180, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0282"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "ENMD-2076", "compound_smiles": "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1", "compound_inchikey": "BLQYVHBZHAISJM-CMDGGOBGSA-N", "target_uniprot": "Q96RG2", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: ENMD-2076\nSMILES: Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1\nTarget: Q96RG2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0283"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID846908", "compound_smiles": "O=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1", "compound_inchikey": "BJRZPNPEJRGYAK-UHFFFAOYSA-N", "target_uniprot": "O00459", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID846908\nSMILES: O=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1\nTarget: O00459, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0284"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "NODULISPORONE", "compound_smiles": "COc1cccc2c1C(=O)CCC2O", "compound_inchikey": "YVFDRXJKRIDQPY-UHFFFAOYSA-N", "target_uniprot": "Q9UGP5", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2007, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: NODULISPORONE\nSMILES: COc1cccc2c1C(=O)CCC2O\nTarget: Q9UGP5, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0285"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "GSK-1904529A", "compound_smiles": "CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1", "compound_inchikey": "MOSKATHMXWSZTQ-UHFFFAOYSA-N", "target_uniprot": "P23443", "target_gene": "S6K1", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: GSK-1904529A\nSMILES: CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1\nTarget: S6K1 (P23443), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0286"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID850986", "compound_smiles": "CC1Oc2ccccc2N(Cc2ccccc2Cl)C1=O", "compound_inchikey": "XESORBQACFGSND-UHFFFAOYSA-N", "target_uniprot": "Q9H0C8", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID850986\nSMILES: CC1Oc2ccccc2N(Cc2ccccc2Cl)C1=O\nTarget: Q9H0C8, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0287"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID3717342", "compound_smiles": "COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)oc1C", "compound_inchikey": "FYXYUPRHTJRYHR-UHFFFAOYSA-N", "target_uniprot": "P98073", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3717342\nSMILES: COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)oc1C\nTarget: P98073, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0288"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-(6-carbamoyl-9-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purin-2-yl)benzoic acid", "compound_smiles": "NC(=O)c1nc(-c2ccc(C(=O)O)cc2)nc2c1[nH]c(=O)n2-c1ccc([N+](=O)[O-])cc1", "compound_inchikey": "KDJJQDLFEFHRPM-UHFFFAOYSA-N", "target_uniprot": "P68400", "target_gene": "CSNK2A1", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-(6-carbamoyl-9-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purin-2-yl)benzoic acid\nSMILES: NC(=O)c1nc(-c2ccc(C(=O)O)cc2)nc2c1[nH]c(=O)n2-c1ccc([N+](=O)[O-])cc1\nTarget: CSNK2A1 (P68400), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0289"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "GLUTAMIC ACID", "compound_smiles": "N[C@@H](CCC(=O)O)C(=O)O", "compound_inchikey": "WHUUTDBJXJRKMK-VKHMYHEASA-N", "target_uniprot": "P42263", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 1998, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: GLUTAMIC ACID\nSMILES: N[C@@H](CCC(=O)O)C(=O)O\nTarget: P42263, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0290"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "1-(4-((3,4-Dichlorobenzyl)oxy)benzyl)azetidine-3-carboxylic Acid", "compound_smiles": "O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1", "compound_inchikey": "WAAWETUDFSIYSD-UHFFFAOYSA-N", "target_uniprot": "Q9NR56", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 1-(4-((3,4-Dichlorobenzyl)oxy)benzyl)azetidine-3-carboxylic Acid\nSMILES: O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1\nTarget: Q9NR56, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0291"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "1-(3-chlorophenyl)-4-((2-fluorophenyl)(2-isopropylphenyl)methyl)piperazine", "compound_smiles": "CC(C)c1ccccc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1", "compound_inchikey": "CMCSGERBZANJFY-UHFFFAOYSA-N", "target_uniprot": "Q8IZK6", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1-(3-chlorophenyl)-4-((2-fluorophenyl)(2-isopropylphenyl)methyl)piperazine\nSMILES: CC(C)c1ccccc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1\nTarget: Q8IZK6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0292"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID24840484", "compound_smiles": "Cc1sc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)nc(O)c2c1C", "compound_inchikey": "JWXFOJJHFNTLGM-UHFFFAOYSA-N", "target_uniprot": "Q9NXA8", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID24840484\nSMILES: Cc1sc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)nc(O)c2c1C\nTarget: Q9NXA8, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0293"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "US10689376, Compound 35::US11142524, Compound 35", "compound_smiles": "COc1ccc(NC(=O)CSc2nc3cnc(Cl)cc3[nH]2)cc1OC(F)(F)F", "compound_inchikey": "ZWTQPZNKUASSKA-UHFFFAOYSA-N", "target_uniprot": "P22413", "target_gene": null, "target_family": null, "num_assays": 3, "num_sources": 3, "earliest_year": 2020, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US10689376, Compound 35::US11142524, Compound 35\nSMILES: COc1ccc(NC(=O)CSc2nc3cnc(Cl)cc3[nH]2)cc1OC(F)(F)F\nTarget: P22413, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0294"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "MMV299572", "compound_smiles": "O=C(NCc1nc2cc(Br)c[nH]c-2n1)c1ccccc1", "compound_inchikey": "QHNFYTLXAVVBSP-UHFFFAOYSA-N", "target_uniprot": "Q9UBS0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: MMV299572\nSMILES: O=C(NCc1nc2cc(Br)c[nH]c-2n1)c1ccccc1\nTarget: Q9UBS0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0295"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID26513958", "compound_smiles": "O=C1C2C3C=CC(C3)C2C(=O)N1c1n[nH]c(CCc2ccccc2)n1", "compound_inchikey": "DQHOZROFUZRKCF-UHFFFAOYSA-N", "target_uniprot": "Q9GZT9", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID26513958\nSMILES: O=C1C2C3C=CC(C3)C2C(=O)N1c1n[nH]c(CCc2ccccc2)n1\nTarget: Q9GZT9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0296"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "JNJ-38877605", "compound_smiles": "Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1", "compound_inchikey": "JRWCBEOAFGHNNU-UHFFFAOYSA-N", "target_uniprot": "P30305", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: JNJ-38877605\nSMILES: Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1\nTarget: P30305, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0297"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID24840484", "compound_smiles": "Cc1sc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)nc(O)c2c1C", "compound_inchikey": "JWXFOJJHFNTLGM-UHFFFAOYSA-N", "target_uniprot": "Q15363", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID24840484\nSMILES: Cc1sc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)nc(O)c2c1C\nTarget: Q15363, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0298"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "DACOMITINIB ANHYDROUS", "compound_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1", "compound_inchikey": "LVXJQMNHJWSHET-AATRIKPKSA-N", "target_uniprot": "P49761", "target_gene": "CLK3", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: DACOMITINIB ANHYDROUS\nSMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1\nTarget: CLK3 (P49761), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0299"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID851746", "compound_smiles": "CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1", "compound_inchikey": "IQCYXVVYQZHFTF-UHFFFAOYSA-N", "target_uniprot": "Q96RU2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851746\nSMILES: CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1\nTarget: Q96RU2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0300"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4256458", "compound_smiles": "OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21", "compound_inchikey": "WTGSVBSOJQMRQK-UHFFFAOYSA-N", "target_uniprot": "Q96GG9", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4256458\nSMILES: OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21\nTarget: Q96GG9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0301"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4261411", "compound_smiles": "O=C(CN1C(=O)CSc2ccccc21)N1CCc2ccccc21", "compound_inchikey": "ZBUJLTQRIVJHBX-UHFFFAOYSA-N", "target_uniprot": "O60361", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4261411\nSMILES: O=C(CN1C(=O)CSc2ccccc21)N1CCc2ccccc21\nTarget: O60361, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0302"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "LENIOLISIB", "compound_smiles": "CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1", "compound_inchikey": "MWKYMZXCGYXLPL-ZDUSSCGKSA-N", "target_uniprot": "P08908", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: LENIOLISIB\nSMILES: CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1\nTarget: P08908, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0303"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID24839062", "compound_smiles": "Cc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCCN(C)C)cc1C", "compound_inchikey": "UNVZFPAVCQIWCI-UHFFFAOYSA-N", "target_uniprot": "Q8NER1", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID24839062\nSMILES: Cc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCCN(C)C)cc1C\nTarget: Q8NER1, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0304"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-morpholinoacetamide", "compound_smiles": "N#Cc1c(NC(=O)CN2CCOCC2)sc2c1CCCC2", "compound_inchikey": "CWJNUEJVFIPZQN-UHFFFAOYSA-N", "target_uniprot": "P53779", "target_gene": "JNK3", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2007, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-morpholinoacetamide\nSMILES: N#Cc1c(NC(=O)CN2CCOCC2)sc2c1CCCC2\nTarget: JNK3 (P53779), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0305"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "BAY-0361", "compound_smiles": "CC[C@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3F)cc2)nc2cnccc12)C(=O)O", "compound_inchikey": "DVIVLYHDLNAXAT-NRFANRHFSA-N", "target_uniprot": "P48426", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: BAY-0361\nSMILES: CC[C@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3F)cc2)nc2cnccc12)C(=O)O\nTarget: P48426, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0306"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-((1r,4r)-4-(5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)cyclohexyl)acetamide", "compound_smiles": "CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1", "compound_inchikey": "USDBEZRARXRGGK-WKILWMFISA-N", "target_uniprot": "P42680", "target_gene": "TEC", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-((1r,4r)-4-(5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)cyclohexyl)acetamide\nSMILES: CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1\nTarget: TEC (P42680), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0307"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "9-(benzo[d][1,3]dioxol-5-yl)-2-fluoro-5-(2-hydroxyethyl)-8-methoxyphenanthridin-5-ium bromide", "compound_smiles": "COc1cc2c[n+](CCO)c3ccc(F)cc3c2cc1-c1ccc2c(c1)OCO2.[Br-]", "compound_inchikey": "MJAIVZMHNXWNIW-UHFFFAOYSA-M", "target_uniprot": "P35813", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 9-(benzo[d][1,3]dioxol-5-yl)-2-fluoro-5-(2-hydroxyethyl)-8-methoxyphenanthridin-5-ium bromide\nSMILES: COc1cc2c[n+](CCO)c3ccc(F)cc3c2cc1-c1ccc2c(c1)OCO2.[Br-]\nTarget: P35813, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0308"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID861956", "compound_smiles": "CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N", "compound_inchikey": "WHSZCOMPIJHMGX-UHFFFAOYSA-N", "target_uniprot": "Q9ULW0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID861956\nSMILES: CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N\nTarget: Q9ULW0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0309"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7973186", "compound_smiles": "CN(C)CC(=O)c1ccc(-c2ccccc2)cc1", "compound_inchikey": "BNFLSPBWCHLHEZ-UHFFFAOYSA-N", "target_uniprot": "Q16539", "target_gene": "p38-alpha", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7973186\nSMILES: CN(C)CC(=O)c1ccc(-c2ccccc2)cc1\nTarget: p38-alpha (Q16539), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0310"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "1,2,3,6-tetrahydro-1-propyl-9-(trifluoromethyl)-7H-[1,4]oxazino[3,2-g]quinolin-7-one", "compound_smiles": "CCCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21", "compound_inchikey": "YEEZJFNRRUIYNH-UHFFFAOYSA-N", "target_uniprot": "P10275", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2007, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1,2,3,6-tetrahydro-1-propyl-9-(trifluoromethyl)-7H-[1,4]oxazino[3,2-g]quinolin-7-one\nSMILES: CCCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21\nTarget: P10275, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0311"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7972262", "compound_smiles": "COC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1", "compound_inchikey": "AKNHFZVXJDNNJF-UHFFFAOYSA-N", "target_uniprot": "Q8TAX0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7972262\nSMILES: COC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1\nTarget: Q8TAX0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0312"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SULFAMIDE", "compound_smiles": "NS(N)(=O)=O", "compound_inchikey": "NVBFHJWHLNUMCV-UHFFFAOYSA-N", "target_uniprot": "P35218", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2005, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SULFAMIDE\nSMILES: NS(N)(=O)=O\nTarget: P35218, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0313"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4240621", "compound_smiles": "CCCCn1c(SCC(=O)Nc2cc(C)[nH]n2)nc2ccsc2c1=O", "compound_inchikey": "FQTINIQTRUAUNA-UHFFFAOYSA-N", "target_uniprot": "P36897", "target_gene": "TGFBR1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4240621\nSMILES: CCCCn1c(SCC(=O)Nc2cc(C)[nH]n2)nc2ccsc2c1=O\nTarget: TGFBR1 (P36897), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0314"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "CP-724714", "compound_smiles": "COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1", "compound_inchikey": "LLVZBTWPGQVVLW-SNAWJCMRSA-N", "target_uniprot": "P78356", "target_gene": "PIP5K2B", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2008, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: CP-724714\nSMILES: COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1\nTarget: PIP5K2B (P78356), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0315"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-Benzyl-3-(((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)methyl)-amino)benzamide", "compound_smiles": "O=C(NCc1ccccc1)c1cccc(NCc2nnc(-c3ccncc3)o2)c1", "compound_inchikey": "SVKLMBZNMVZHTI-UHFFFAOYSA-N", "target_uniprot": "P17252", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-Benzyl-3-(((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)methyl)-amino)benzamide\nSMILES: O=C(NCc1ccccc1)c1cccc(NCc2nnc(-c3ccncc3)o2)c1\nTarget: P17252, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0316"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7964553", "compound_smiles": "COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCC(C)C)c(C)o2)c1", "compound_inchikey": "CGNPCWDCNXIDCJ-UHFFFAOYSA-N", "target_uniprot": "P51116", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7964553\nSMILES: COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCC(C)C)c(C)o2)c1\nTarget: P51116, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0317"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4256641", "compound_smiles": "COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1", "compound_inchikey": "HBAKYYPAFFDXGL-UHFFFAOYSA-N", "target_uniprot": "P06493", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4256641\nSMILES: COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1\nTarget: P06493, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0318"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID3711353", "compound_smiles": "O=C(Cc1nnc(O)c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1", "compound_inchikey": "JRCICVPQCULWQR-UHFFFAOYSA-N", "target_uniprot": "Q14524", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3711353\nSMILES: O=C(Cc1nnc(O)c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1\nTarget: Q14524, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0319"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4245574", "compound_smiles": "CCC(Sc1nc(C)cc(O)n1)C(=O)Nc1nc2c(s1)CCCC2", "compound_inchikey": "JTDWUZNQNOVCKN-UHFFFAOYSA-N", "target_uniprot": "Q9UGN5", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4245574\nSMILES: CCC(Sc1nc(C)cc(O)n1)C(=O)Nc1nc2c(s1)CCCC2\nTarget: Q9UGN5, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0320"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SB-431542", "compound_smiles": "NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1", "compound_inchikey": "FHYUGAJXYORMHI-UHFFFAOYSA-N", "target_uniprot": "Q9UK32", "target_gene": "RSK4", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2008, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SB-431542\nSMILES: NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1\nTarget: RSK4 (Q9UK32), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0321"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "DALFAMPRIDINE", "compound_smiles": "Nc1ccncc1", "compound_inchikey": "NUKYPUAOHBNCPY-UHFFFAOYSA-N", "target_uniprot": "P35398", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: DALFAMPRIDINE\nSMILES: Nc1ccncc1\nTarget: P35398, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0322"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-benzyl-N-(4-(hydroxycarbamoyl)benzyl)benzamide", "compound_smiles": "O=C(NO)c1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2)cc1", "compound_inchikey": "RYYSFLYMIIWLMK-UHFFFAOYSA-N", "target_uniprot": "Q9UKV0", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-benzyl-N-(4-(hydroxycarbamoyl)benzyl)benzamide\nSMILES: O=C(NO)c1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2)cc1\nTarget: Q9UKV0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0323"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID851557", "compound_smiles": "CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1.Cl", "compound_inchikey": "SPCPHKWKHNJSJY-UHFFFAOYSA-N", "target_uniprot": "Q13153", "target_gene": "PAK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851557\nSMILES: CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1.Cl\nTarget: PAK1 (Q13153), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0324"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine", "compound_smiles": "FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1", "compound_inchikey": "BFQIOOYNLCWKIJ-UHFFFAOYSA-N", "target_uniprot": "P28222", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2001, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine\nSMILES: FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1\nTarget: P28222, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0325"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "BMS-690514", "compound_smiles": "COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1", "compound_inchikey": "CSGQVNMSRKWUSH-IAGOWNOFSA-N", "target_uniprot": "Q13315", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: BMS-690514\nSMILES: COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1\nTarget: Q13315, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0326"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SID57264455", "compound_smiles": "FC(F)(F)C1=Nc2cccc3cccc(c23)N1", "compound_inchikey": "HVARHVMCZYYPQJ-UHFFFAOYSA-N", "target_uniprot": "P51684", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SID57264455\nSMILES: FC(F)(F)C1=Nc2cccc3cccc(c23)N1\nTarget: P51684, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0327"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "1-(4-((3-chloro-4-(trifluoromethoxy)benzyl)oxy)-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole", "compound_smiles": "COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(OC(F)(F)F)c(Cl)c1", "compound_inchikey": "BKTOCNUVAFYRMQ-UHFFFAOYSA-N", "target_uniprot": "P00533", "target_gene": "EGFR", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1-(4-((3-chloro-4-(trifluoromethoxy)benzyl)oxy)-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole\nSMILES: COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(OC(F)(F)F)c(Cl)c1\nTarget: EGFR (P00533), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0328"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "1-(4-(4,6-Di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl)phenyl)-3-(1-oxo-1,3-dihydroisobenzofuran-5-yl)urea", "compound_smiles": "O=C(Nc1ccc(-c2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)n2)cc1)Nc1ccc2c(c1)COC2=O", "compound_inchikey": "AVZAKRMYVPBYAL-UHFFFAOYSA-N", "target_uniprot": "P42338", "target_gene": "PIK3CB", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1-(4-(4,6-Di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl)phenyl)-3-(1-oxo-1,3-dihydroisobenzofuran-5-yl)urea\nSMILES: O=C(Nc1ccc(-c2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)n2)cc1)Nc1ccc2c(c1)COC2=O\nTarget: PIK3CB (P42338), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0329"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "CAPMATINIB", "compound_smiles": "CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F", "compound_inchikey": "LIOLIMKSCNQPLV-UHFFFAOYSA-N", "target_uniprot": "P27707", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: CAPMATINIB\nSMILES: CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F\nTarget: P27707, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0330"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID851856", "compound_smiles": "COc1ccc(C(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1OC", "compound_inchikey": "FFDMJRPXWNAPBP-UHFFFAOYSA-N", "target_uniprot": "P35754", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851856\nSMILES: COc1ccc(C(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1OC\nTarget: P35754, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0331"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "8-((2-(1H-indol-3-yl)ethyl)amino)-1-(cyclohexylmethyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione", "compound_smiles": "Cn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(CC1CCCCC1)c(=O)n2C", "compound_inchikey": "OSCYSDMGDDHDPD-UHFFFAOYSA-N", "target_uniprot": "Q14330", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 8-((2-(1H-indol-3-yl)ethyl)amino)-1-(cyclohexylmethyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione\nSMILES: Cn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(CC1CCCCC1)c(=O)n2C\nTarget: Q14330, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0332"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4261905", "compound_smiles": "O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc21", "compound_inchikey": "SOBFZOBFFWHUPL-UHFFFAOYSA-N", "target_uniprot": "Q9UBV8", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4261905\nSMILES: O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc21\nTarget: Q9UBV8, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0333"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-(5-((3-fluorobenzyl)oxy)-1H-benzo[d]imidazol-2-yl)acetamide", "compound_smiles": "NC(=O)Cc1nc2cc(OCc3cccc(F)c3)ccc2[nH]1", "compound_inchikey": "XIDGMSOEXFQBJH-UHFFFAOYSA-N", "target_uniprot": "P21397", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(5-((3-fluorobenzyl)oxy)-1H-benzo[d]imidazol-2-yl)acetamide\nSMILES: NC(=O)Cc1nc2cc(OCc3cccc(F)c3)ccc2[nH]1\nTarget: P21397, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0334"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "HERNIARIN", "compound_smiles": "COc1ccc2ccc(=O)oc2c1", "compound_inchikey": "LIIALPBMIOVAHH-UHFFFAOYSA-N", "target_uniprot": "Q9Y6Q9", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: HERNIARIN\nSMILES: COc1ccc2ccc(=O)oc2c1\nTarget: Q9Y6Q9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0335"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "GSK-2636771", "compound_smiles": "Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F", "compound_inchikey": "XTKLTGBKIDQGQL-UHFFFAOYSA-N", "target_uniprot": "Q96D96", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: GSK-2636771\nSMILES: Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F\nTarget: Q96D96, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0336"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SARACATINIB", "compound_smiles": "CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1", "compound_inchikey": "OUKYUETWWIPKQR-UHFFFAOYSA-N", "target_uniprot": "Q9NYV4", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SARACATINIB\nSMILES: CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1\nTarget: Q9NYV4, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0337"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "CC-401", "compound_smiles": "c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1", "compound_inchikey": "XDJCLCLBSGGNKS-UHFFFAOYSA-N", "target_uniprot": "Q9Y616", "target_gene": "IRAK3", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: CC-401\nSMILES: c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1\nTarget: IRAK3 (Q9Y616), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0338"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "3-chloro-4-(6-(2-(propylamino)thiazol-5-yl)-2-(pyrazin-2-yl)pyrimidin-4-yl)phenol", "compound_smiles": "CCCNc1ncc(-c2cc(-c3ccc(O)cc3Cl)nc(-c3cnccn3)n2)s1", "compound_inchikey": "HGEMEBXHIFACIK-UHFFFAOYSA-N", "target_uniprot": "P53671", "target_gene": "LIMK2", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2012, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-chloro-4-(6-(2-(propylamino)thiazol-5-yl)-2-(pyrazin-2-yl)pyrimidin-4-yl)phenol\nSMILES: CCCNc1ncc(-c2cc(-c3ccc(O)cc3Cl)nc(-c3cnccn3)n2)s1\nTarget: LIMK2 (P53671), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0339"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "5-Bromo-N-cycloheptyl-1,2-dihydro-1-(4-fluorobenzyl)-4-(4-methoxyphenyl)-2-oxo-pyridine-3-carboxamide", "compound_smiles": "COc1ccc(-c2c(Br)cn(Cc3ccc(F)cc3)c(=O)c2C(=O)NC2CCCCCC2)cc1", "compound_inchikey": "MJXAKHLEXLHOOP-UHFFFAOYSA-N", "target_uniprot": "O00519", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2018, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 5-Bromo-N-cycloheptyl-1,2-dihydro-1-(4-fluorobenzyl)-4-(4-methoxyphenyl)-2-oxo-pyridine-3-carboxamide\nSMILES: COc1ccc(-c2c(Br)cn(Cc3ccc(F)cc3)c(=O)c2C(=O)NC2CCCCCC2)cc1\nTarget: O00519, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0340"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "2-(4'-methyl-biphenyl-4-yloxy)-1-morpholin-4-yl-ethanone", "compound_smiles": "Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1", "compound_inchikey": "ZVVXZCOLSNAVEP-UHFFFAOYSA-N", "target_uniprot": "P00747", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 2-(4'-methyl-biphenyl-4-yloxy)-1-morpholin-4-yl-ethanone\nSMILES: Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1\nTarget: P00747, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0341"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-methyl-6-(4-(((3S,5R)-3-methyl-5-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)piperazin-1-yl)methyl)-2H-1,2,3-triazol-2-yl)nicotinonitrile", "compound_smiles": "Cc1cc(-n2ncc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)N[C@@H](C)C3)n2)ncc1C#N", "compound_inchikey": "NRCYDDLRPFXMNA-NYHFZMIOSA-N", "target_uniprot": "A6NDG6", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-methyl-6-(4-(((3S,5R)-3-methyl-5-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)piperazin-1-yl)methyl)-2H-1,2,3-triazol-2-yl)nicotinonitrile\nSMILES: Cc1cc(-n2ncc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)N[C@@H](C)C3)n2)ncc1C#N\nTarget: A6NDG6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0342"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "GSK-2636771", "compound_smiles": "Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F", "compound_inchikey": "XTKLTGBKIDQGQL-UHFFFAOYSA-N", "target_uniprot": "O14744", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: GSK-2636771\nSMILES: Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F\nTarget: O14744, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0343"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(4R,13R)-13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid", "compound_smiles": "CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O", "compound_inchikey": "MCMMCRYPQBNCPH-WMIMKTLMSA-N", "target_uniprot": "P41146", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (4R,13R)-13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid\nSMILES: CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O\nTarget: P41146, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0344"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7967769", "compound_smiles": "CCN(CC)S(=O)(=O)c1ccc(-c2nnc3sc4cccc(C)c4n23)cc1", "compound_inchikey": "PNLQEEOOYGAIBO-UHFFFAOYSA-N", "target_uniprot": "P83110", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7967769\nSMILES: CCN(CC)S(=O)(=O)c1ccc(-c2nnc3sc4cccc(C)c4n23)cc1\nTarget: P83110, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0345"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-((4-(3-(3-methoxyphenyl)ureido)phenyl)amino)-N-methylquinazoline-2-carboxamide", "compound_smiles": "CNC(=O)c1nc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)c2ccccc2n1", "compound_inchikey": "ZXNLZNZDWFLLFO-UHFFFAOYSA-N", "target_uniprot": "P35968", "target_gene": "VEGFR2", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-((4-(3-(3-methoxyphenyl)ureido)phenyl)amino)-N-methylquinazoline-2-carboxamide\nSMILES: CNC(=O)c1nc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)c2ccccc2n1\nTarget: VEGFR2 (P35968), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0346"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "3-((2S,3R)-7-ethoxy-2-(3-ethoxy-4-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl)propan-1-ol", "compound_smiles": "CCOc1cc([C@H]2Oc3c(OCC)cc(CCCO)cc3[C@@H]2CO)ccc1OC", "compound_inchikey": "NWARZTAQZRDFKR-PGRDOPGGSA-N", "target_uniprot": "Q9HCR9", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-((2S,3R)-7-ethoxy-2-(3-ethoxy-4-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl)propan-1-ol\nSMILES: CCOc1cc([C@H]2Oc3c(OCC)cc(CCCO)cc3[C@@H]2CO)ccc1OC\nTarget: Q9HCR9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0347"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "MK-2206", "compound_smiles": "NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1", "compound_inchikey": "ULDXWLCXEDXJGE-UHFFFAOYSA-N", "target_uniprot": "Q709F0", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: MK-2206\nSMILES: NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1\nTarget: Q709F0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0348"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "TENOXICAM", "compound_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O", "compound_inchikey": "LZNWYQJJBLGYLT-UHFFFAOYSA-N", "target_uniprot": "P11498", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: TENOXICAM\nSMILES: CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O\nTarget: P11498, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0349"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "GSK-690693", "compound_smiles": "CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21", "compound_inchikey": "KGPGFQWBCSZGEL-ZDUSSCGKSA-N", "target_uniprot": "P54577", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: GSK-690693\nSMILES: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21\nTarget: P54577, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0350"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)-4-(methylsulfonyl)-3-nitrobenzamide", "compound_smiles": "CC1CCN(C(=O)CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1", "compound_inchikey": "ZRZJXQBUNCPJIH-UHFFFAOYSA-N", "target_uniprot": "P11473", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2013, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)-4-(methylsulfonyl)-3-nitrobenzamide\nSMILES: CC1CCN(C(=O)CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1\nTarget: P11473, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0351"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4261286", "compound_smiles": "O=c1[nH]c(=S)c2c(n1-c1ccccc1)CCC2", "compound_inchikey": "ZQPGVNGOSNPLPX-UHFFFAOYSA-N", "target_uniprot": "O75385", "target_gene": "ULK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4261286\nSMILES: O=c1[nH]c(=S)c2c(n1-c1ccccc1)CCC2\nTarget: ULK1 (O75385), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0352"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one", "compound_smiles": "O=C1/C(=C/c2ccc(O)cc2)Oc2cc(O)ccc21", "compound_inchikey": "KEZLDSPIRVZOKZ-AUWJEWJLSA-N", "target_uniprot": "P27338", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one\nSMILES: O=C1/C(=C/c2ccc(O)cc2)Oc2cc(O)ccc21\nTarget: P27338, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0353"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "FAMOTIDINE", "compound_smiles": "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1", "compound_inchikey": "XUFQPHANEAPEMJ-UHFFFAOYSA-N", "target_uniprot": "Q16690", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: FAMOTIDINE\nSMILES: NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1\nTarget: Q16690, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0354"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "5-Bromo-1H-indazole", "compound_smiles": "Brc1ccc2[nH]ncc2c1", "compound_inchikey": "STVHMYNPQCLUNJ-UHFFFAOYSA-N", "target_uniprot": "Q8TDC3", "target_gene": "BRSK1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: 5-Bromo-1H-indazole\nSMILES: Brc1ccc2[nH]ncc2c1\nTarget: BRSK1 (Q8TDC3), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0355"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7964553", "compound_smiles": "COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCC(C)C)c(C)o2)c1", "compound_inchikey": "CGNPCWDCNXIDCJ-UHFFFAOYSA-N", "target_uniprot": "Q99500", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7964553\nSMILES: COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCC(C)C)c(C)o2)c1\nTarget: Q99500, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0356"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N4-(3-Aminopropyl)-N2-(2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine", "compound_smiles": "CS(=O)(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc2C1", "compound_inchikey": "PROGKLMIRQVLRO-UHFFFAOYSA-N", "target_uniprot": "P11309", "target_gene": "PIM1", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N4-(3-Aminopropyl)-N2-(2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine\nSMILES: CS(=O)(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc2C1\nTarget: PIM1 (P11309), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0357"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SUMATRIPTAN", "compound_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1", "compound_inchikey": "KQKPFRSPSRPDEB-UHFFFAOYSA-N", "target_uniprot": "P13501", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SUMATRIPTAN\nSMILES: CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1\nTarget: P13501, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0358"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7975041", "compound_smiles": "CNC(=O)C(Sc1ccccc1)c1ccccc1", "compound_inchikey": "IZPRKJSUKRJRKJ-UHFFFAOYSA-N", "target_uniprot": "P37231", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7975041\nSMILES: CNC(=O)C(Sc1ccccc1)c1ccccc1\nTarget: P37231, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0359"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4243163", "compound_smiles": "COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1", "compound_inchikey": "NAUBTAFAWGFHBI-UHFFFAOYSA-N", "target_uniprot": "O15439", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4243163\nSMILES: COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1\nTarget: O15439, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0360"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID859301", "compound_smiles": "Cl.O=C(CCN(CCO)Cc1ccccc1)Nc1ccc(Br)cc1", "compound_inchikey": "BOABSECIFVDQRE-UHFFFAOYSA-N", "target_uniprot": "P49840", "target_gene": "GSK3A", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID859301\nSMILES: Cl.O=C(CCN(CCO)Cc1ccccc1)Nc1ccc(Br)cc1\nTarget: GSK3A (P49840), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0361"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "ENMD-2076", "compound_smiles": "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1", "compound_inchikey": "BLQYVHBZHAISJM-CMDGGOBGSA-N", "target_uniprot": "Q9NXS2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: ENMD-2076\nSMILES: Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1\nTarget: Q9NXS2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0362"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "ASK1 Inhibitor 10", "compound_smiles": "CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.Cl.Cl", "compound_inchikey": "IKKLFEDUYFZNBO-UHFFFAOYSA-N", "target_uniprot": "Q04912", "target_gene": "MST1R", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: ASK1 Inhibitor 10\nSMILES: CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.Cl.Cl\nTarget: MST1R (Q04912), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0363"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7974486", "compound_smiles": "COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1", "compound_inchikey": "JWBPRZWEKRGVEE-UHFFFAOYSA-N", "target_uniprot": "Q86WB0", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7974486\nSMILES: COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1\nTarget: Q86WB0, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0364"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "3-((2-((2-methylbenzyl)amino)-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl)methyl)benzonitrile", "compound_smiles": "Cc1ccccc1CNc1nc(=O)c2c([nH]1)CCN(Cc1cccc(C#N)c1)C2", "compound_inchikey": "KDYLNTQKVAPJAH-UHFFFAOYSA-N", "target_uniprot": "Q16740", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-((2-((2-methylbenzyl)amino)-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl)methyl)benzonitrile\nSMILES: Cc1ccccc1CNc1nc(=O)c2c([nH]1)CCN(Cc1cccc(C#N)c1)C2\nTarget: Q16740, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0365"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-(7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl)acetamide", "compound_smiles": "CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(N)=O)c12", "compound_inchikey": "DVDOWWFOHIHAOM-UHFFFAOYSA-N", "target_uniprot": "P14902", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl)acetamide\nSMILES: CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(N)=O)c12\nTarget: P14902, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0366"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4259551", "compound_smiles": "C=CCNc1nc(N2CCCC2)nc2ccccc12", "compound_inchikey": "ZHBZKSPOQFXRSY-UHFFFAOYSA-N", "target_uniprot": "O96013", "target_gene": "PAK4", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4259551\nSMILES: C=CCNc1nc(N2CCCC2)nc2ccccc12\nTarget: PAK4 (O96013), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0367"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(1-(2-amino-6-((3,4,5-trimethoxyphenyl)amino)-9H-purin-9-yl)-2,2,2-trichloroethyl)propionamide", "compound_smiles": "CCC(=O)NC(n1cnc2c(Nc3cc(OC)c(OC)c(OC)c3)nc(N)nc21)C(Cl)(Cl)Cl", "compound_inchikey": "CBXLKUIAHMQCJX-UHFFFAOYSA-N", "target_uniprot": "Q12834", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(1-(2-amino-6-((3,4,5-trimethoxyphenyl)amino)-9H-purin-9-yl)-2,2,2-trichloroethyl)propionamide\nSMILES: CCC(=O)NC(n1cnc2c(Nc3cc(OC)c(OC)c(OC)c3)nc(N)nc21)C(Cl)(Cl)Cl\nTarget: Q12834, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0368"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "US9079866, 765", "compound_smiles": "Nc1ncc(-c2ccc(-c3ccccc3C(=O)NC3CCC(O)CC3)cc2F)cn1", "compound_inchikey": "CQCGACGTKPRAOK-UHFFFAOYSA-N", "target_uniprot": "P39748", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 3, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US9079866, 765\nSMILES: Nc1ncc(-c2ccc(-c3ccccc3C(=O)NC3CCC(O)CC3)cc2F)cn1\nTarget: P39748, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0369"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "WHI-P131", "compound_smiles": "COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC", "compound_inchikey": "HOZUXBLMYUPGPZ-UHFFFAOYSA-N", "target_uniprot": "P16473", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: WHI-P131\nSMILES: COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC\nTarget: P16473, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0370"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "PROPENTOFYLLINE", "compound_smiles": "CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C", "compound_inchikey": "RBQOQRRFDPXAGN-UHFFFAOYSA-N", "target_uniprot": "Q8TEY7", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: PROPENTOFYLLINE\nSMILES: CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C\nTarget: Q8TEY7, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0371"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "BMS-690514", "compound_smiles": "COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1", "compound_inchikey": "CSGQVNMSRKWUSH-IAGOWNOFSA-N", "target_uniprot": "Q99683", "target_gene": "ASK1", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: BMS-690514\nSMILES: COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1\nTarget: ASK1 (Q99683), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0372"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "2-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-6-fluoro-N-methylbenzamide", "compound_smiles": "CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12", "compound_inchikey": "HZTYDQRUAWIZRE-UHFFFAOYSA-N", "target_uniprot": "P29323", "target_gene": "EPHB2", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-6-fluoro-N-methylbenzamide\nSMILES: CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12\nTarget: EPHB2 (P29323), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0373"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(1s,4s)-4-(2-Fluoro-5-(((1R,2S,3R,4S)-3-((4-fluoro-3-(pentafluoro-lambda 6-sulfaneyl)phenyl)carbamoyl)bicyclo[2.2.1]heptan2-yl)carbamoyl)-4-methoxyphenoxy)-1-methylcyclohexane-1-carboxylic acid", "compound_smiles": "COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1", "compound_inchikey": "CDRWWKJURUZOFS-QTZMEVOHSA-N", "target_uniprot": "O95342", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (1s,4s)-4-(2-Fluoro-5-(((1R,2S,3R,4S)-3-((4-fluoro-3-(pentafluoro-lambda 6-sulfaneyl)phenyl)carbamoyl)bicyclo[2.2.1]heptan2-yl)carbamoyl)-4-methoxyphenoxy)-1-methylcyclohexane-1-carboxylic acid\nSMILES: COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1\nTarget: O95342, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0374"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "BMS-754807", "compound_smiles": "C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1", "compound_inchikey": "LQVXSNNAFNGRAH-QHCPKHFHSA-N", "target_uniprot": "Q15759", "target_gene": "p38-beta", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2009, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: BMS-754807\nSMILES: C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1\nTarget: p38-beta (Q15759), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0375"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "BMS-754807", "compound_smiles": "C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1", "compound_inchikey": "LQVXSNNAFNGRAH-QHCPKHFHSA-N", "target_uniprot": "O60841", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: BMS-754807\nSMILES: C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1\nTarget: O60841, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0376"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "1H-indol-5-ol", "compound_smiles": "Oc1ccc2[nH]ccc2c1", "compound_inchikey": "LMIQERWZRIFWNZ-UHFFFAOYSA-N", "target_uniprot": "P43155", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 1H-indol-5-ol\nSMILES: Oc1ccc2[nH]ccc2c1\nTarget: P43155, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0377"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4246149", "compound_smiles": "O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCn2c1nc1ccccc12", "compound_inchikey": "GSSFOYNEDBNZSU-UHFFFAOYSA-N", "target_uniprot": "P20853", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4246149\nSMILES: O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCn2c1nc1ccccc12\nTarget: P20853, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0378"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "RUTIN", "compound_smiles": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "compound_inchikey": "IKGXIBQEEMLURG-NVPNHPEKSA-N", "target_uniprot": "P18031", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: RUTIN\nSMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O\nTarget: P18031, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0379"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "NICOTINE", "compound_smiles": "CN1CCC[C@H]1c1cccnc1", "compound_inchikey": "SNICXCGAKADSCV-JTQLQIEISA-N", "target_uniprot": "O15438", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2013, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: NICOTINE\nSMILES: CN1CCC[C@H]1c1cccnc1\nTarget: O15438, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0380"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-[4-[4-[4-[(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)methyl]phenyl]triazol-1-yl]butyl]benzoic acid", "compound_smiles": "Cc1cn(Cc2ccc(-c3cn(CCCCc4ccc(C(=O)O)cc4)nn3)cc2)c(=O)nc1N", "compound_inchikey": "UBXSNQXUPQSVDH-UHFFFAOYSA-N", "target_uniprot": "Q09472", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-[4-[4-[4-[(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)methyl]phenyl]triazol-1-yl]butyl]benzoic acid\nSMILES: Cc1cn(Cc2ccc(-c3cn(CCCCc4ccc(C(=O)O)cc4)nn3)cc2)c(=O)nc1N\nTarget: Q09472, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0381"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "3-Phenethylbenzo[d]oxazol-2(3H)-one", "compound_smiles": "O=c1oc2ccccc2n1CCc1ccccc1", "compound_inchikey": "NUKWDYNMQFPRIJ-UHFFFAOYSA-N", "target_uniprot": "P63316", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 3-Phenethylbenzo[d]oxazol-2(3H)-one\nSMILES: O=c1oc2ccccc2n1CCc1ccccc1\nTarget: P63316, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0382"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "5-((5-(2,8-dimethyl-5H-dibenzo[a,d][7]annulen-5-yl)-2-oxo-4-thioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-N-(1H-tetrazol-5-yl)furan-2-carboxamide", "compound_smiles": "Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)Nc3nnn[nH]3)o2)c(=O)[nH]c1=S", "compound_inchikey": "PVKNPGQAFNALOI-UHFFFAOYSA-N", "target_uniprot": "P41231", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 5-((5-(2,8-dimethyl-5H-dibenzo[a,d][7]annulen-5-yl)-2-oxo-4-thioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-N-(1H-tetrazol-5-yl)furan-2-carboxamide\nSMILES: Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)Nc3nnn[nH]3)o2)c(=O)[nH]c1=S\nTarget: P41231, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0383"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4264299", "compound_smiles": "COc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1", "compound_inchikey": "ORYXQCBCLOXGGZ-UHFFFAOYSA-N", "target_uniprot": "P05177", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4264299\nSMILES: COc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1\nTarget: P05177, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0384"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "PALBOCICLIB", "compound_smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O", "compound_inchikey": "AHJRHEGDXFFMBM-UHFFFAOYSA-N", "target_uniprot": "Q9GZT9", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: PALBOCICLIB\nSMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O\nTarget: Q9GZT9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0385"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2,2,2-trichloroethyl (1S)-1-(4-bromophenyl)-2-(2-(2,6-dioxopiperidin-3-yl)-3-oxoisoindolin-5-yl)cycloprop-2-ene-1-carboxylate", "compound_smiles": "O=C1CCC(N2Cc3ccc(C4=C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1", "compound_inchikey": "NUDMYJFNODNYCD-WIIYFNMSSA-N", "target_uniprot": "Q9UJQ4", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2,2,2-trichloroethyl (1S)-1-(4-bromophenyl)-2-(2-(2,6-dioxopiperidin-3-yl)-3-oxoisoindolin-5-yl)cycloprop-2-ene-1-carboxylate\nSMILES: O=C1CCC(N2Cc3ccc(C4=C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1\nTarget: Q9UJQ4, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0386"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID844746", "compound_smiles": "Cc1cccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)c1", "compound_inchikey": "UAUHAXQFAHPNTI-UHFFFAOYSA-N", "target_uniprot": "O60704", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID844746\nSMILES: Cc1cccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)c1\nTarget: O60704, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0387"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7964893", "compound_smiles": "COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1", "compound_inchikey": "QOIKCLOVXIZBGP-UHFFFAOYSA-N", "target_uniprot": "P21554", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7964893\nSMILES: COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1\nTarget: P21554, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0388"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "TRIENTINE", "compound_smiles": "NCCNCCNCCN", "compound_inchikey": "VILCJCGEZXAXTO-UHFFFAOYSA-N", "target_uniprot": "Q16790", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2010, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: TRIENTINE\nSMILES: NCCNCCNCCN\nTarget: Q16790, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0389"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "3-(Pyridin-4-yl)-6-(o-tolyloxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole", "compound_smiles": "Cc1ccccc1OCc1nn2c(-c3ccncc3)nnc2s1", "compound_inchikey": "PINHDDJHDUBFCY-UHFFFAOYSA-N", "target_uniprot": "P06276", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2014, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-(Pyridin-4-yl)-6-(o-tolyloxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole\nSMILES: Cc1ccccc1OCc1nn2c(-c3ccncc3)nnc2s1\nTarget: P06276, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0390"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "(S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)-3-methylbenzoic acid", "compound_smiles": "Cc1cc(C(=O)O)ccc1NC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21", "compound_inchikey": "XAVJTYOBWCSWFJ-SANMLTNESA-N", "target_uniprot": "P08684", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)-3-methylbenzoic acid\nSMILES: Cc1cc(C(=O)O)ccc1NC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21\nTarget: P08684, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0391"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID850754", "compound_smiles": "COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1", "compound_inchikey": "OTNSMZRSMCHOSW-UHFFFAOYSA-N", "target_uniprot": "O14763", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID850754\nSMILES: COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1\nTarget: O14763, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0392"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "2-(3-(1-Benzyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-4-methoxyphenyl)acetic acid", "compound_smiles": "COc1ccc(CC(=O)O)cc1C1=NCC(=O)N(Cc2ccccc2)c2ccccc21", "compound_inchikey": "VNYIESSUMLDRIN-UHFFFAOYSA-N", "target_uniprot": "Q13258", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(3-(1-Benzyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-4-methoxyphenyl)acetic acid\nSMILES: COc1ccc(CC(=O)O)cc1C1=NCC(=O)N(Cc2ccccc2)c2ccccc21\nTarget: Q13258, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0393"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "D2213::US10370360, Example 34", "compound_smiles": "CCC1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc21", "compound_inchikey": "DGYSAXDYYWORIW-UHFFFAOYSA-N", "target_uniprot": "P10721", "target_gene": "KIT", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2019, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: D2213::US10370360, Example 34\nSMILES: CCC1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc21\nTarget: KIT (P10721), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0394"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)acetamide", "compound_smiles": "O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1F", "compound_inchikey": "WNNYXKZYAUWGQX-UHFFFAOYSA-N", "target_uniprot": "Q13627", "target_gene": "DYRK1A", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)acetamide\nSMILES: O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1F\nTarget: DYRK1A (Q13627), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0395"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "TIVANTINIB", "compound_smiles": "O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12", "compound_inchikey": "UCEQXRCJXIVODC-PMACEKPBSA-N", "target_uniprot": "P41250", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: TIVANTINIB\nSMILES: O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12\nTarget: P41250, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0396"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-((5-allyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide", "compound_smiles": "C=CCc1c(C)nc(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[nH]c1=O", "compound_inchikey": "GZAOSUQWKUZVGN-UHFFFAOYSA-N", "target_uniprot": "Q9Y6E7", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-((5-allyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide\nSMILES: C=CCc1c(C)nc(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[nH]c1=O\nTarget: Q9Y6E7, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0397"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-methyl-6-(4-(((3S,5R)-3-methyl-5-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)piperazin-1-yl)methyl)-2H-1,2,3-triazol-2-yl)nicotinonitrile", "compound_smiles": "Cc1cc(-n2ncc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)N[C@@H](C)C3)n2)ncc1C#N", "compound_inchikey": "NRCYDDLRPFXMNA-NYHFZMIOSA-N", "target_uniprot": "P63252", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-methyl-6-(4-(((3S,5R)-3-methyl-5-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)piperazin-1-yl)methyl)-2H-1,2,3-triazol-2-yl)nicotinonitrile\nSMILES: Cc1cc(-n2ncc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)N[C@@H](C)C3)n2)ncc1C#N\nTarget: P63252, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0398"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-butoxy-N-(3-(4-methyl-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl)quinoline-4-carboxamide", "compound_smiles": "CCCCOc1cc(C(=O)Nc2cc(-n3cc(C)cn3)cc(C(F)(F)F)c2)c2ccccc2n1", "compound_inchikey": "XNXMOEUBJPXHGX-UHFFFAOYSA-N", "target_uniprot": "Q9Y466", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-butoxy-N-(3-(4-methyl-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl)quinoline-4-carboxamide\nSMILES: CCCCOc1cc(C(=O)Nc2cc(-n3cc(C)cn3)cc(C(F)(F)F)c2)c2ccccc2n1\nTarget: Q9Y466, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0399"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "PF-04217903", "compound_smiles": "OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1", "compound_inchikey": "PDMUGYOXRHVNMO-UHFFFAOYSA-N", "target_uniprot": "P52701", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: PF-04217903\nSMILES: OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1\nTarget: P52701, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0400"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7978266", "compound_smiles": "CC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2", "compound_inchikey": "IUGBOSBIXHIIKB-UHFFFAOYSA-N", "target_uniprot": "Q96LD8", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7978266\nSMILES: CC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2\nTarget: Q96LD8, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0401"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(S)-N-hydroxy-3-(4-phenoxyphenyl)-2-(4-(((5-(pyridin-2-yl)thiophene)-2-sulfonamido)methyl)-1H-1,2,3-triazol-1-yl)propanamide", "compound_smiles": "O=C(NO)[C@H](Cc1ccc(Oc2ccccc2)cc1)n1cc(CNS(=O)(=O)c2ccc(-c3ccccn3)s2)nn1", "compound_inchikey": "XAZJLAPNVJOSFR-DEOSSOPVSA-N", "target_uniprot": "Q9NZ08", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-N-hydroxy-3-(4-phenoxyphenyl)-2-(4-(((5-(pyridin-2-yl)thiophene)-2-sulfonamido)methyl)-1H-1,2,3-triazol-1-yl)propanamide\nSMILES: O=C(NO)[C@H](Cc1ccc(Oc2ccccc2)cc1)n1cc(CNS(=O)(=O)c2ccc(-c3ccccn3)s2)nn1\nTarget: Q9NZ08, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0402"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "MMV299572", "compound_smiles": "O=C(NCc1nc2cc(Br)c[nH]c-2n1)c1ccccc1", "compound_inchikey": "QHNFYTLXAVVBSP-UHFFFAOYSA-N", "target_uniprot": "Q96EB6", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: MMV299572\nSMILES: O=C(NCc1nc2cc(Br)c[nH]c-2n1)c1ccccc1\nTarget: Q96EB6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0403"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "8-(4-aminobutyl)-6-(2-chloro-4-(6-methylpyridin-2-yl)phenyl)-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one", "compound_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1", "compound_inchikey": "LXCURVGCNPAVES-UHFFFAOYSA-N", "target_uniprot": "Q9P289", "target_gene": "MST4", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 8-(4-aminobutyl)-6-(2-chloro-4-(6-methylpyridin-2-yl)phenyl)-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one\nSMILES: COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1\nTarget: MST4 (Q9P289), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0404"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(2S,3R)-N-(3-chloro-4-fluorophenyl)-1-(3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)-3-(hydroxymethyl)-N-(methyl-d3)azetidine-2-carboxamide", "compound_smiles": "[2H]C([2H])([2H])N(C(=O)[C@@H]1[C@H](CO)CN1c1nc(C)cc(C(F)(F)F)c1C#N)c1ccc(F)c(Cl)c1", "compound_inchikey": "PBBZMQSTYBBLDS-PXBRQSFWSA-N", "target_uniprot": "P05177", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (2S,3R)-N-(3-chloro-4-fluorophenyl)-1-(3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)-3-(hydroxymethyl)-N-(methyl-d3)azetidine-2-carboxamide\nSMILES: [2H]C([2H])([2H])N(C(=O)[C@@H]1[C@H](CO)CN1c1nc(C)cc(C(F)(F)F)c1C#N)c1ccc(F)c(Cl)c1\nTarget: P05177, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0405"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "PENTOXIFYLLINE", "compound_smiles": "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "compound_inchikey": "BYPFEZZEUUWMEJ-UHFFFAOYSA-N", "target_uniprot": "O95551", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: PENTOXIFYLLINE\nSMILES: CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O\nTarget: O95551, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0406"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4254567", "compound_smiles": "COc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12", "compound_inchikey": "XMAQQXKECYXMLN-UHFFFAOYSA-N", "target_uniprot": "P63098", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4254567\nSMILES: COc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12\nTarget: P63098, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0407"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4240621", "compound_smiles": "CCCCn1c(SCC(=O)Nc2cc(C)[nH]n2)nc2ccsc2c1=O", "compound_inchikey": "FQTINIQTRUAUNA-UHFFFAOYSA-N", "target_uniprot": "P23204", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4240621\nSMILES: CCCCn1c(SCC(=O)Nc2cc(C)[nH]n2)nc2ccsc2c1=O\nTarget: P23204, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0408"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID26513958", "compound_smiles": "O=C1C2C3C=CC(C3)C2C(=O)N1c1n[nH]c(CCc2ccccc2)n1", "compound_inchikey": "DQHOZROFUZRKCF-UHFFFAOYSA-N", "target_uniprot": "P63098", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID26513958\nSMILES: O=C1C2C3C=CC(C3)C2C(=O)N1c1n[nH]c(CCc2ccccc2)n1\nTarget: P63098, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0409"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "GSK-461364", "compound_smiles": "C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F", "compound_inchikey": "ZHJGWYRLJUCMRT-QGZVFWFLSA-N", "target_uniprot": "O95835", "target_gene": "LATS1", "target_family": "kinase", "num_assays": 2, "num_sources": 3, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: GSK-461364\nSMILES: C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F\nTarget: LATS1 (O95835), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0410"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(4-(piperidin-4-yloxy)phenyl)-4-(2-(pyrrolidin-1-yl)quinazolin-6-yl)pyrimidin-2-amine", "compound_smiles": "c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(OC3CCNCC3)cc2)n1", "compound_inchikey": "KHKLMPXBCFKGAF-UHFFFAOYSA-N", "target_uniprot": "Q9UEE5", "target_gene": "DRAK1", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(4-(piperidin-4-yloxy)phenyl)-4-(2-(pyrrolidin-1-yl)quinazolin-6-yl)pyrimidin-2-amine\nSMILES: c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(OC3CCNCC3)cc2)n1\nTarget: DRAK1 (Q9UEE5), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0411"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7967221", "compound_smiles": "COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21", "compound_inchikey": "MPYJARCIIGQKFJ-UHFFFAOYSA-N", "target_uniprot": "P53779", "target_gene": "JNK3", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7967221\nSMILES: COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21\nTarget: JNK3 (P53779), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0412"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "APREMILAST", "compound_smiles": "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC", "compound_inchikey": "IMOZEMNVLZVGJZ-QGZVFWFLSA-N", "target_uniprot": "Q08499", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: APREMILAST\nSMILES: CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC\nTarget: Q08499, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0413"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID844654", "compound_smiles": "O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1)c1ccco1", "compound_inchikey": "POGSBIMVYXWKSS-UHFFFAOYSA-N", "target_uniprot": "Q9UN76", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID844654\nSMILES: O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1)c1ccco1\nTarget: Q9UN76, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0414"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID843705", "compound_smiles": "O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1", "compound_inchikey": "IJDOYIHEQCCWFV-UHFFFAOYSA-N", "target_uniprot": "Q96GG9", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID843705\nSMILES: O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1\nTarget: Q96GG9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0415"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID3715063", "compound_smiles": "O=C(Cn1nnc(-c2ccccc2)n1)OCc1csc(-c2ccccc2)n1", "compound_inchikey": "PFKUVAMJQBTZPQ-UHFFFAOYSA-N", "target_uniprot": "P49902", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID3715063\nSMILES: O=C(Cn1nnc(-c2ccccc2)n1)OCc1csc(-c2ccccc2)n1\nTarget: P49902, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0416"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "LOPERAMIDE", "compound_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "compound_inchikey": "RDOIQAHITMMDAJ-UHFFFAOYSA-N", "target_uniprot": "P35346", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: LOPERAMIDE\nSMILES: CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1\nTarget: P35346, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0417"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4261411", "compound_smiles": "O=C(CN1C(=O)CSc2ccccc21)N1CCc2ccccc21", "compound_inchikey": "ZBUJLTQRIVJHBX-UHFFFAOYSA-N", "target_uniprot": "P30291", "target_gene": "WEE1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4261411\nSMILES: O=C(CN1C(=O)CSc2ccccc21)N1CCc2ccccc21\nTarget: WEE1 (P30291), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0418"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "GSK-1904529A", "compound_smiles": "CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1", "compound_inchikey": "MOSKATHMXWSZTQ-UHFFFAOYSA-N", "target_uniprot": "Q9H0K1", "target_gene": "SIK2", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2009, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: GSK-1904529A\nSMILES: CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1\nTarget: SIK2 (Q9H0K1), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0419"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7964893", "compound_smiles": "COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1", "compound_inchikey": "QOIKCLOVXIZBGP-UHFFFAOYSA-N", "target_uniprot": "P31943", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7964893\nSMILES: COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1\nTarget: P31943, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0420"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "PF-04217903", "compound_smiles": "OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1", "compound_inchikey": "PDMUGYOXRHVNMO-UHFFFAOYSA-N", "target_uniprot": "Q15078", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: PF-04217903\nSMILES: OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1\nTarget: Q15078, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0421"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "BUPARLISIB", "compound_smiles": "Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1", "compound_inchikey": "CWHUFRVAEUJCEF-UHFFFAOYSA-N", "target_uniprot": "Q86TW2", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: BUPARLISIB\nSMILES: Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1\nTarget: Q86TW2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0422"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(3-fluorophenyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetic acid", "compound_smiles": "O=C(O)Cc1c(C(=O)N2CCC(c3cccc(F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1", "compound_inchikey": "QJAIGJBNENTORH-UHFFFAOYSA-N", "target_uniprot": "P34972", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(3-fluorophenyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetic acid\nSMILES: O=C(O)Cc1c(C(=O)N2CCC(c3cccc(F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1\nTarget: P34972, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0423"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(5S,8S,11S)-8-(2-((R)-3-Fluoropiperidin-1-yl)ethyl)1-7,10-dioxo-11-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-2-oxa-6,9-diaza-1,3(1,3)-dibenzenacyclododecaphane-5-carboxamide", "compound_smiles": "O=C(NCC(F)(F)F)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCC[C@@H](F)C2)C(=O)N1", "compound_inchikey": "DWNACCFSKNIAKQ-OHXOMFROSA-N", "target_uniprot": "P28074", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (5S,8S,11S)-8-(2-((R)-3-Fluoropiperidin-1-yl)ethyl)1-7,10-dioxo-11-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-2-oxa-6,9-diaza-1,3(1,3)-dibenzenacyclododecaphane-5-carboxamide\nSMILES: O=C(NCC(F)(F)F)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCC[C@@H](F)C2)C(=O)N1\nTarget: P28074, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0424"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "ULIXERTINIB", "compound_smiles": "CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1", "compound_inchikey": "KSERXGMCDHOLSS-LJQANCHMSA-N", "target_uniprot": "P30679", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: ULIXERTINIB\nSMILES: CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1\nTarget: P30679, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0425"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID29215066", "compound_smiles": "COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)o2)cc1", "compound_inchikey": "NYQBHBXODXDEOK-UHFFFAOYSA-N", "target_uniprot": "P00742", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID29215066\nSMILES: COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)o2)cc1\nTarget: P00742, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0426"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "PF-04418948", "compound_smiles": "COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1", "compound_inchikey": "LWJGMYMNSNVCEM-UHFFFAOYSA-N", "target_uniprot": "P20264", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: PF-04418948\nSMILES: COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1\nTarget: P20264, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0427"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4250224", "compound_smiles": "CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1", "compound_inchikey": "BVCZGIWUAVZBNX-UHFFFAOYSA-N", "target_uniprot": "P17706", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4250224\nSMILES: CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1\nTarget: P17706, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0428"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "1-(4-((3,4-Dichlorobenzyl)oxy)benzyl)azetidine-3-carboxylic Acid", "compound_smiles": "O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1", "compound_inchikey": "WAAWETUDFSIYSD-UHFFFAOYSA-N", "target_uniprot": "Q92736", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 1-(4-((3,4-Dichlorobenzyl)oxy)benzyl)azetidine-3-carboxylic Acid\nSMILES: O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1\nTarget: Q92736, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0429"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "1-(3-(2-(1H-indol-3-yl)ethyl)ureido)-N-(3-isopropylphenyl)cyclohexane-1-carboxamide", "compound_smiles": "CC(C)c1cccc(NC(=O)C2(NC(=O)NCCc3c[nH]c4ccccc34)CCCCC2)c1", "compound_inchikey": "AFAAWTYDUNFPAV-UHFFFAOYSA-N", "target_uniprot": "O00519", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1-(3-(2-(1H-indol-3-yl)ethyl)ureido)-N-(3-isopropylphenyl)cyclohexane-1-carboxamide\nSMILES: CC(C)c1cccc(NC(=O)C2(NC(=O)NCCc3c[nH]c4ccccc34)CCCCC2)c1\nTarget: O00519, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0430"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SID99303151", "compound_smiles": "O=C(Cc1ccc2c(c1)OCO2)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1", "compound_inchikey": "YISNSDXPXOUONZ-UHFFFAOYSA-N", "target_uniprot": "Q9Y2T6", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 3, "earliest_year": 2010, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SID99303151\nSMILES: O=C(Cc1ccc2c(c1)OCO2)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1\nTarget: Q9Y2T6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0431"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "LENVATINIB", "compound_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O", "compound_inchikey": "WOSKHXYHFSIKNG-UHFFFAOYSA-N", "target_uniprot": "P05141", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: LENVATINIB\nSMILES: COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O\nTarget: P05141, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0432"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "DEXIBUPROFEN", "compound_smiles": "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1", "compound_inchikey": "HEFNNWSXXWATRW-JTQLQIEISA-N", "target_uniprot": "O60733", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: DEXIBUPROFEN\nSMILES: CC(C)Cc1ccc([C@H](C)C(=O)O)cc1\nTarget: O60733, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0433"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4250488", "compound_smiles": "COC(=O)C1(S(=O)(=O)c2cccc3nsnc23)CC1", "compound_inchikey": "BJRKOTLNYXDXHI-UHFFFAOYSA-N", "target_uniprot": "P12882", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4250488\nSMILES: COC(=O)C1(S(=O)(=O)c2cccc3nsnc23)CC1\nTarget: P12882, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0434"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "3-Phenethylbenzo[d]oxazol-2(3H)-one", "compound_smiles": "O=c1oc2ccccc2n1CCc1ccccc1", "compound_inchikey": "NUKWDYNMQFPRIJ-UHFFFAOYSA-N", "target_uniprot": "Q05397", "target_gene": "FAK", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: 3-Phenethylbenzo[d]oxazol-2(3H)-one\nSMILES: O=c1oc2ccccc2n1CCc1ccccc1\nTarget: FAK (Q05397), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0435"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "1-(2-fluoro-4-(methylsulfonyl)phenyl)-4-(1-(5-propylpyrimidin-2-yl)piperidin-4-yloxy)pyridin-2(1H)-one", "compound_smiles": "CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4F)c(=O)c3)CC2)nc1", "compound_inchikey": "HIJKGVNKHCXAKW-UHFFFAOYSA-N", "target_uniprot": "O75469", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2014, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1-(2-fluoro-4-(methylsulfonyl)phenyl)-4-(1-(5-propylpyrimidin-2-yl)piperidin-4-yloxy)pyridin-2(1H)-one\nSMILES: CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4F)c(=O)c3)CC2)nc1\nTarget: O75469, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0436"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SID22413996", "compound_smiles": "CC(C)(C)c1cc(=O)n(-c2ccccc2)[nH]1", "compound_inchikey": "UYIWWAIQDLOQOX-UHFFFAOYSA-N", "target_uniprot": "O95551", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2014, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SID22413996\nSMILES: CC(C)(C)c1cc(=O)n(-c2ccccc2)[nH]1\nTarget: O95551, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0437"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "RUTIN", "compound_smiles": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "compound_inchikey": "IKGXIBQEEMLURG-NVPNHPEKSA-N", "target_uniprot": "Q06323", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: RUTIN\nSMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O\nTarget: Q06323, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0438"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4255287", "compound_smiles": "C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1", "compound_inchikey": "FTKFYLWDLXFAOQ-UHFFFAOYSA-N", "target_uniprot": "Q13442", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4255287\nSMILES: C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1\nTarget: Q13442, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0439"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(benzo[b]thiophen-5-yldifluoromethyl)phosphonic acid", "compound_smiles": "O=P(O)(O)C(F)(F)c1ccc2sccc2c1", "compound_inchikey": "DRZPEVNLENIMIK-UHFFFAOYSA-N", "target_uniprot": "Q06124", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (benzo[b]thiophen-5-yldifluoromethyl)phosphonic acid\nSMILES: O=P(O)(O)C(F)(F)c1ccc2sccc2c1\nTarget: Q06124, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0440"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4257392", "compound_smiles": "Cc1cccc(-n2c(SCCC(=O)O)nnc2-c2cccs2)c1C", "compound_inchikey": "CNGSFDONRCPXRF-UHFFFAOYSA-N", "target_uniprot": "P06240", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4257392\nSMILES: Cc1cccc(-n2c(SCCC(=O)O)nnc2-c2cccs2)c1C\nTarget: P06240, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0441"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7967221", "compound_smiles": "COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21", "compound_inchikey": "MPYJARCIIGQKFJ-UHFFFAOYSA-N", "target_uniprot": "P24390", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7967221\nSMILES: COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21\nTarget: P24390, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0442"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(6-(3-(((2-methylpropyl)sulfonamido)methyl)phenyl)-1H-indazol-3-yl)cyclopropanecarboxamide", "compound_smiles": "CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1", "compound_inchikey": "IIKPYJZUOZRTIB-UHFFFAOYSA-N", "target_uniprot": "P32298", "target_gene": "GRK4", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(6-(3-(((2-methylpropyl)sulfonamido)methyl)phenyl)-1H-indazol-3-yl)cyclopropanecarboxamide\nSMILES: CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1\nTarget: GRK4 (P32298), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0443"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "ACETARSONE", "compound_smiles": "CC(=O)Nc1cc([As](=O)(O)O)ccc1O", "compound_inchikey": "ODFJOVXVLFUVNQ-UHFFFAOYSA-N", "target_uniprot": "Q14164", "target_gene": "IKK-epsilon", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: ACETARSONE\nSMILES: CC(=O)Nc1cc([As](=O)(O)O)ccc1O\nTarget: IKK-epsilon (Q14164), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0444"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(S)-4-(2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)-N-hydroxybenzamide", "compound_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(C(=O)NO)cc1)c1nnc(C)n1-2", "compound_inchikey": "JBPWXWQIGDWQHR-FQEVSTJZSA-N", "target_uniprot": "Q58F21", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (S)-4-(2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)-N-hydroxybenzamide\nSMILES: Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(C(=O)NO)cc1)c1nnc(C)n1-2\nTarget: Q58F21, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0445"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "((8-bromodibenzo[b,d]thiophen-2-yl)difluoromethyl)phosphonic acid", "compound_smiles": "O=P(O)(O)C(F)(F)c1ccc2sc3ccc(Br)cc3c2c1", "compound_inchikey": "IIQBKJBKLUHFEO-UHFFFAOYSA-N", "target_uniprot": "O95278", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: ((8-bromodibenzo[b,d]thiophen-2-yl)difluoromethyl)phosphonic acid\nSMILES: O=P(O)(O)C(F)(F)c1ccc2sc3ccc(Br)cc3c2c1\nTarget: O95278, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0446"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "1,2-Bis-(4-methoxy-3-nitro-phenyl)-ethane-1,2-dione", "compound_smiles": "COc1ccc(C(=O)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]", "compound_inchikey": "QXCBKMMPXQYFNB-UHFFFAOYSA-N", "target_uniprot": "P00748", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2005, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1,2-Bis-(4-methoxy-3-nitro-phenyl)-ethane-1,2-dione\nSMILES: COc1ccc(C(=O)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]\nTarget: P00748, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0447"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "ULIXERTINIB", "compound_smiles": "CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1", "compound_inchikey": "KSERXGMCDHOLSS-LJQANCHMSA-N", "target_uniprot": "P25325", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: ULIXERTINIB\nSMILES: CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1\nTarget: P25325, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0448"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "BARASERTIB", "compound_smiles": "CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O", "compound_inchikey": "GBJVVSCPOBPEIT-UHFFFAOYSA-N", "target_uniprot": "P07947", "target_gene": "YES", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: BARASERTIB\nSMILES: CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O\nTarget: YES (P07947), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0449"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4252111", "compound_smiles": "O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1", "compound_inchikey": "BNABOEWFWSCFTJ-UHFFFAOYSA-N", "target_uniprot": "Q9UMS4", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4252111\nSMILES: O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1\nTarget: Q9UMS4, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0450"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "SID24801482", "compound_smiles": "CC(C)(O)C1Cc2cc(/C=C/C(=O)O)c(O)cc2O1", "compound_inchikey": "JHVOYMJGCHKJNF-ONEGZZNKSA-N", "target_uniprot": "Q04637", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2009, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: SID24801482\nSMILES: CC(C)(O)C1Cc2cc(/C=C/C(=O)O)c(O)cc2O1\nTarget: Q04637, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0451"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "TAK-285", "compound_smiles": "CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21", "compound_inchikey": "ZYQXEVJIFYIBHZ-UHFFFAOYSA-N", "target_uniprot": "P22607", "target_gene": "FGFR3", "target_family": "kinase", "num_assays": 1, "num_sources": 2, "earliest_year": 2011, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: TAK-285\nSMILES: CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21\nTarget: FGFR3 (P22607), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0452"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-amino-2-(4-heptylphenethyl)propane-1,3-diol", "compound_smiles": "CCCCCCCc1ccc(CCC(N)(CO)CO)cc1", "compound_inchikey": "ZCQGLIFMOHCDGN-UHFFFAOYSA-N", "target_uniprot": "P63316", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-amino-2-(4-heptylphenethyl)propane-1,3-diol\nSMILES: CCCCCCCc1ccc(CCC(N)(CO)CO)cc1\nTarget: P63316, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0453"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "PROPENTOFYLLINE", "compound_smiles": "CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C", "compound_inchikey": "RBQOQRRFDPXAGN-UHFFFAOYSA-N", "target_uniprot": "P31749", "target_gene": "AKT1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: PROPENTOFYLLINE\nSMILES: CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C\nTarget: AKT1 (P31749), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0454"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "ENMD-2076", "compound_smiles": "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1", "compound_inchikey": "BLQYVHBZHAISJM-CMDGGOBGSA-N", "target_uniprot": "P53667", "target_gene": "LIMK1", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: ENMD-2076\nSMILES: Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1\nTarget: LIMK1 (P53667), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0455"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7978350", "compound_smiles": "COC(=O)Cc1cc(O)nc(Nc2nc3ccccc3o2)n1", "compound_inchikey": "XEGSTCHAOIVDPY-UHFFFAOYSA-N", "target_uniprot": "P48736", "target_gene": "PIK3CG", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7978350\nSMILES: COC(=O)Cc1cc(O)nc(Nc2nc3ccccc3o2)n1\nTarget: PIK3CG (P48736), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0456"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(1S,4s)-4-(2-fluoro-4-methoxy-5-(((1S,2R,3S,4R)-3-(((1-methylcyclobutyl)methyl)carbamoyl)bicyclo[2.2.1]heptan-2-yl)carbamoyl)phenoxy)-1-methylcyclohexanecarboxylic acid", "compound_smiles": "COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1", "compound_inchikey": "LYUYYIGCZIZIGF-UNBDJWOASA-N", "target_uniprot": "P35368", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (1S,4s)-4-(2-fluoro-4-methoxy-5-(((1S,2R,3S,4R)-3-(((1-methylcyclobutyl)methyl)carbamoyl)bicyclo[2.2.1]heptan-2-yl)carbamoyl)phenoxy)-1-methylcyclohexanecarboxylic acid\nSMILES: COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1\nTarget: P35368, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0457"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "BUTYLPARABEN", "compound_smiles": "CCCCOC(=O)c1ccc(O)cc1", "compound_inchikey": "QFOHBWFCKVYLES-UHFFFAOYSA-N", "target_uniprot": "P45452", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: BUTYLPARABEN\nSMILES: CCCCOC(=O)c1ccc(O)cc1\nTarget: P45452, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0458"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "1-(3-Fluoro-4-methoxy-benzyl)-1,3-dihydro-imidazol-2-one", "compound_smiles": "COc1ccc(Cn2cc[nH]c2=S)cc1F", "compound_inchikey": "IRYFWPMPRFLYGC-UHFFFAOYSA-N", "target_uniprot": "P09172", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 1995, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1-(3-Fluoro-4-methoxy-benzyl)-1,3-dihydro-imidazol-2-one\nSMILES: COc1ccc(Cn2cc[nH]c2=S)cc1F\nTarget: P09172, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0459"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SARACATINIB", "compound_smiles": "CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1", "compound_inchikey": "OUKYUETWWIPKQR-UHFFFAOYSA-N", "target_uniprot": "Q01959", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SARACATINIB\nSMILES: CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1\nTarget: Q01959, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0460"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "BMS-690514", "compound_smiles": "COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1", "compound_inchikey": "CSGQVNMSRKWUSH-IAGOWNOFSA-N", "target_uniprot": "Q99973", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: BMS-690514\nSMILES: COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1\nTarget: Q99973, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0461"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "MELOXICAM", "compound_smiles": "Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1", "compound_inchikey": "ZRVUJXDFFKFLMG-UHFFFAOYSA-N", "target_uniprot": "P61105", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: MELOXICAM\nSMILES: Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1\nTarget: P61105, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0462"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "MELOXICAM", "compound_smiles": "Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1", "compound_inchikey": "ZRVUJXDFFKFLMG-UHFFFAOYSA-N", "target_uniprot": "Q9ULZ3", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: MELOXICAM\nSMILES: Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1\nTarget: Q9ULZ3, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0463"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl)-5-phenylthiophene-2-carboxamide", "compound_smiles": "O=C(NCCCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)s1", "compound_inchikey": "HDRUKPNNMMHQHY-UHFFFAOYSA-N", "target_uniprot": "P49682", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl)-5-phenylthiophene-2-carboxamide\nSMILES: O=C(NCCCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)s1\nTarget: P49682, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0464"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID844746", "compound_smiles": "Cc1cccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)c1", "compound_inchikey": "UAUHAXQFAHPNTI-UHFFFAOYSA-N", "target_uniprot": "Q08499", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID844746\nSMILES: Cc1cccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)c1\nTarget: Q08499, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0465"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "1(5)-(4-bromo-3-methoxyphenyl)-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphane 4,4-dioxide", "compound_smiles": "COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Br", "compound_inchikey": "KRAYLQVJPUMBPE-UHFFFAOYSA-N", "target_uniprot": "P17948", "target_gene": "FLT1", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 1(5)-(4-bromo-3-methoxyphenyl)-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphane 4,4-dioxide\nSMILES: COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Br\nTarget: FLT1 (P17948), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0466"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide", "compound_smiles": "CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(C(=O)N2CCOCC2)CC1", "compound_inchikey": "XNFMTXLXXPJFKM-UHFFFAOYSA-N", "target_uniprot": "Q9Y345", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2006, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide\nSMILES: CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(C(=O)N2CCOCC2)CC1\nTarget: Q9Y345, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0467"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "5-((3-(2H-tetrazol-5-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile", "compound_smiles": "N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-c4nn[nH]n4)c3)nc12", "compound_inchikey": "WJKTYGPJVGCUOW-UHFFFAOYSA-N", "target_uniprot": "P19784", "target_gene": "CSNK2A2", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 5-((3-(2H-tetrazol-5-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile\nSMILES: N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-c4nn[nH]n4)c3)nc12\nTarget: CSNK2A2 (P19784), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0468"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(E)-2-(2,4-dihydroxybenzylidene)-4-nitro-2,3-dihydro-1H-inden-1-one", "compound_smiles": "O=C1/C(=C/c2ccc(O)cc2O)Cc2c1cccc2[N+](=O)[O-]", "compound_inchikey": "PIRYVEXWOQMHJM-UXBLZVDNSA-N", "target_uniprot": "P14679", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (E)-2-(2,4-dihydroxybenzylidene)-4-nitro-2,3-dihydro-1H-inden-1-one\nSMILES: O=C1/C(=C/c2ccc(O)cc2O)Cc2c1cccc2[N+](=O)[O-]\nTarget: P14679, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0469"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID849907", "compound_smiles": "COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1", "compound_inchikey": "DGHNJYFIBSFUOC-UHFFFAOYSA-N", "target_uniprot": "P09619", "target_gene": "PDGFRB", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: SID849907\nSMILES: COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1\nTarget: PDGFRB (P09619), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0470"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "QUINAZOLINONE", "compound_smiles": "O=c1[nH]cnc2ccccc12", "compound_inchikey": "QMNUDYFKZYBWQX-UHFFFAOYSA-N", "target_uniprot": "P56817", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: QUINAZOLINONE\nSMILES: O=c1[nH]cnc2ccccc12\nTarget: P56817, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0471"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "7-butyl-8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione", "compound_smiles": "CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C", "compound_inchikey": "CYKISVYTUCOJRU-UHFFFAOYSA-N", "target_uniprot": "P35523", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 7-butyl-8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione\nSMILES: CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C\nTarget: P35523, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0472"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID851443", "compound_smiles": "COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1", "compound_inchikey": "JFWDNKVXUWYRPK-UHFFFAOYSA-N", "target_uniprot": "P00636", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID851443\nSMILES: COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1\nTarget: P00636, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0473"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4265138", "compound_smiles": "O=C(O)C1CCCCC1C(=O)NCCc1cccc(Cl)c1", "compound_inchikey": "LYYAGVSPDZKKHJ-UHFFFAOYSA-N", "target_uniprot": "Q15382", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4265138\nSMILES: O=C(O)C1CCCCC1C(=O)NCCc1cccc(Cl)c1\nTarget: Q15382, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0474"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID861330", "compound_smiles": "C/C(NC1CCCC1)=C(/C#N)C(N)=O", "compound_inchikey": "JTIKDXJBMLPXIZ-VQHVLOKHSA-N", "target_uniprot": "Q6NXT6", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID861330\nSMILES: C/C(NC1CCCC1)=C(/C#N)C(N)=O\nTarget: Q6NXT6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0475"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "QUINAZOLINONE", "compound_smiles": "O=c1[nH]cnc2ccccc12", "compound_inchikey": "QMNUDYFKZYBWQX-UHFFFAOYSA-N", "target_uniprot": "Q8TEM1", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: QUINAZOLINONE\nSMILES: O=c1[nH]cnc2ccccc12\nTarget: Q8TEM1, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0476"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID7967791", "compound_smiles": "CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c1", "compound_inchikey": "WWGQZUBMGLERMF-UHFFFAOYSA-N", "target_uniprot": "Q9BV86", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7967791\nSMILES: CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c1\nTarget: Q9BV86, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0477"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID7978266", "compound_smiles": "CC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2", "compound_inchikey": "IUGBOSBIXHIIKB-UHFFFAOYSA-N", "target_uniprot": "Q9NRR2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID7978266\nSMILES: CC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2\nTarget: Q9NRR2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0478"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(3-((6-(2-methoxyphenyl)pyrimidin-4-yl)amino)phenyl)methanesulfonamide", "compound_smiles": "COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1", "compound_inchikey": "GGQCIOOSELPMBB-UHFFFAOYSA-N", "target_uniprot": "Q16566", "target_gene": "CAMK4", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (3-((6-(2-methoxyphenyl)pyrimidin-4-yl)amino)phenyl)methanesulfonamide\nSMILES: COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1\nTarget: CAMK4 (Q16566), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0479"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4242461", "compound_smiles": "O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccccc1", "compound_inchikey": "FICSYWUBABJDHB-UHFFFAOYSA-N", "target_uniprot": "P01133", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4242461\nSMILES: O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccccc1\nTarget: P01133, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0480"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4254746", "compound_smiles": "COC(=O)c1ccc(Nc2nc(C)cc(O)n2)cc1", "compound_inchikey": "UTNSVGAYDHWYON-UHFFFAOYSA-N", "target_uniprot": "P24387", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4254746\nSMILES: COC(=O)c1ccc(Nc2nc(C)cc(O)n2)cc1\nTarget: P24387, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0481"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "(R)-N-((R)-2-(benzyloxy)-1-cyanoethyl)-3-(methylsulfonyl)-2-(((S)-2,2,2-trifluoro-1-(4-nitrophenyl)ethyl)amino)propanamide", "compound_smiles": "CS(=O)(=O)C[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)N[C@H](C#N)COCc1ccccc1", "compound_inchikey": "DWZIHGHEWITDKK-HOJAQTOUSA-N", "target_uniprot": "P07711", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: (R)-N-((R)-2-(benzyloxy)-1-cyanoethyl)-3-(methylsulfonyl)-2-(((S)-2,2,2-trifluoro-1-(4-nitrophenyl)ethyl)amino)propanamide\nSMILES: CS(=O)(=O)C[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)N[C@H](C#N)COCc1ccccc1\nTarget: P07711, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0482"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "Propane-1-sulfonic acid {2,4- difluoro-3-[4-(2-fluoro-4- methoxy-phenylamino)-7H- pyrrolo[2,3-d]pyrimidine-5- carbonyl]-phenyl}-amide::US9617267, Compound P-1101", "compound_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)cc4F)c23)c1F", "compound_inchikey": "SGYXPGVFWUKSJR-UHFFFAOYSA-N", "target_uniprot": "P11712", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: Propane-1-sulfonic acid {2,4- difluoro-3-[4-(2-fluoro-4- methoxy-phenylamino)-7H- pyrrolo[2,3-d]pyrimidine-5- carbonyl]-phenyl}-amide::US9617267, Compound P-1101\nSMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)cc4F)c23)c1F\nTarget: P11712, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0483"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "N-((2S)-1-(3,3-difluoroazetidin-1-yl)propan-2-yl)-3-(2-((3,5-dimethylphenyl)amino)pyrimidin-4-yl)-1-methyl-1H-pyrazole-5-carboxamide", "compound_smiles": "Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CC(F)(F)C4)n(C)n3)n2)c1", "compound_inchikey": "WWIUDNDAUFDMEU-INIZCTEOSA-N", "target_uniprot": "O60674", "target_gene": "JAK2", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-((2S)-1-(3,3-difluoroazetidin-1-yl)propan-2-yl)-3-(2-((3,5-dimethylphenyl)amino)pyrimidin-4-yl)-1-methyl-1H-pyrazole-5-carboxamide\nSMILES: Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CC(F)(F)C4)n(C)n3)n2)c1\nTarget: JAK2 (O60674), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0484"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl thiophene-2-carboxylate", "compound_smiles": "Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1", "compound_inchikey": "RZXMQAUOJUDTRO-UHFFFAOYSA-N", "target_uniprot": "Q02127", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl thiophene-2-carboxylate\nSMILES: Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1\nTarget: Q02127, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "val", "question_id": "L4-0485"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "MELATONIN", "compound_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "compound_inchikey": "DRLFMBDRBRZALE-UHFFFAOYSA-N", "target_uniprot": "O75460", "target_gene": "ERN1", "target_family": "kinase", "target_dev_level": null, "source_db": null, "context_text": "Compound: MELATONIN\nSMILES: COc1ccc2[nH]cc(CCNC(C)=O)c2c1\nTarget: ERN1 (O75460), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0486"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "3-((4-amino-3-(2-hydroxypropan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-phenylisoquinolin-1(2H)-one", "compound_smiles": "Cc1cccc2cc(Cn3nc(C(C)(C)O)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12", "compound_inchikey": "LLOJBGUZWFEGFN-UHFFFAOYSA-N", "target_uniprot": "O00329", "target_gene": "PIK3CD", "target_family": "kinase", "num_assays": 2, "num_sources": 2, "earliest_year": 2025, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 3-((4-amino-3-(2-hydroxypropan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-phenylisoquinolin-1(2H)-one\nSMILES: Cc1cccc2cc(Cn3nc(C(C)(C)O)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12\nTarget: PIK3CD (O00329), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0487"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "6-(2-Hydroxypropan-2-yl)-N-{2-[2-(methanesulfonyl)ethyl]-6-methoxy-2H-indazol-5-yl}pyridine-2-carboxamide", "compound_smiles": "COc1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1", "compound_inchikey": "PZZUSMRBJJKSMM-UHFFFAOYSA-N", "target_uniprot": "P36888", "target_gene": "FLT3", "target_family": "kinase", "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 6-(2-Hydroxypropan-2-yl)-N-{2-[2-(methanesulfonyl)ethyl]-6-methoxy-2H-indazol-5-yl}pyridine-2-carboxamide\nSMILES: COc1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1\nTarget: FLT3 (P36888), kinase\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0488"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "5H-dibenzo[b,e][1,4]diazepin-11(10H)-one", "compound_smiles": "O=C1Nc2ccccc2Nc2ccccc21", "compound_inchikey": "KVVFXAAMMFTLGN-UHFFFAOYSA-N", "target_uniprot": "Q9Y5K2", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: 5H-dibenzo[b,e][1,4]diazepin-11(10H)-one\nSMILES: O=C1Nc2ccccc2Nc2ccccc21\nTarget: Q9Y5K2, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0489"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "N-(4-(benzo[d]oxazol-2-yl)phenyl)benzenesulfonamide", "compound_smiles": "O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1", "compound_inchikey": "AKSLAHQXECQZQB-UHFFFAOYSA-N", "target_uniprot": "P06870", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: N-(4-(benzo[d]oxazol-2-yl)phenyl)benzenesulfonamide\nSMILES: O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1\nTarget: P06870, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0490"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "N-((4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(4-isopropylpiperazin-1-yl)pyridin-3-yl)-1H-indazole-4-carboxamide", "compound_smiles": "Cc1cc(O)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1", "compound_inchikey": "LMDAATGGXZTVHJ-UHFFFAOYSA-N", "target_uniprot": "Q92800", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 2, "earliest_year": 2016, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: N-((4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(4-isopropylpiperazin-1-yl)pyridin-3-yl)-1H-indazole-4-carboxamide\nSMILES: Cc1cc(O)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1\nTarget: Q92800, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0491"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "US9670157, 42 2,5-Dimethyl-1-(2-phenyl-thiazol-4-ylmethyl)-1H-pyrrole-3-carboxylic acid [(R)-1-(4-aminomethyl-phenyl)-ethyl]-amide", "compound_smiles": "Cc1cc(C(=O)NC(C)c2ccc(CN)nc2)c(C)n1Cc1csc(-c2ccccc2)n1", "compound_inchikey": "JOSCRKCAXAFNGY-UHFFFAOYSA-N", "target_uniprot": "P06870", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2017, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US9670157, 42 2,5-Dimethyl-1-(2-phenyl-thiazol-4-ylmethyl)-1H-pyrrole-3-carboxylic acid [(R)-1-(4-aminomethyl-phenyl)-ethyl]-amide\nSMILES: Cc1cc(C(=O)NC(C)c2ccc(CN)nc2)c(C)n1Cc1csc(-c2ccccc2)n1\nTarget: P06870, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0492"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "SID4242812", "compound_smiles": "COc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1", "compound_inchikey": "QAICVUGPWYZAJL-UHFFFAOYSA-N", "target_uniprot": "Q9NY64", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4242812\nSMILES: COc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1\nTarget: Q9NY64, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0493"}
{"class": "untested", "correct_answer": "untested", "untested_type": "tdark", "compound_name": "MK-5108", "compound_smiles": "O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1", "compound_inchikey": "LCVIRAZGMYMNNT-VVONHTQRSA-N", "target_uniprot": "P51116", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: MK-5108\nSMILES: O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1\nTarget: P51116, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0494"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "4-{[(1R)-1-(1,1-dioxo-3,4-dihydro-2H-1lambda6-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide", "compound_smiles": "CC(C)[C@@H](Nc1ncnc2[nH]c(C(=O)N[C@@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2", "compound_inchikey": "QEVYAPKJBMOYGR-XMSQKQJNSA-N", "target_uniprot": "P10635", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 4-{[(1R)-1-(1,1-dioxo-3,4-dihydro-2H-1lambda6-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide\nSMILES: CC(C)[C@@H](Nc1ncnc2[nH]c(C(=O)N[C@@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2\nTarget: P10635, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0495"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylthio)benzamido)cyclohexylamino)-2-oxoethyl)-5-(trifluoromethyl)benzamide", "compound_smiles": "CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1", "compound_inchikey": "IBPXYDUJQWENPM-XZOQPEGZSA-N", "target_uniprot": "Q9P296", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylthio)benzamido)cyclohexylamino)-2-oxoethyl)-5-(trifluoromethyl)benzamide\nSMILES: CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1\nTarget: Q9P296, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0496"}
{"class": "untested", "correct_answer": "untested", "untested_type": "trick", "compound_name": "SID4246149", "compound_smiles": "O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCn2c1nc1ccccc12", "compound_inchikey": "GSSFOYNEDBNZSU-UHFFFAOYSA-N", "target_uniprot": "Q9UQL6", "target_gene": null, "target_family": null, "target_dev_level": null, "source_db": null, "context_text": "Compound: SID4246149\nSMILES: O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCn2c1nc1ccccc12\nTarget: Q9UQL6, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0497"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "post_2024", "compound_name": "2-((3-hydroxyphenyl)amino)-6-((4-methyl-3-oxopiperazin-1-yl)methyl)pyrimidin-4(3H)-one", "compound_smiles": "CN1CCN(Cc2cc(=O)[nH]c(Nc3cccc(O)c3)n2)CC1=O", "compound_inchikey": "QTUAYALMCOUJEO-UHFFFAOYSA-N", "target_uniprot": "Q9H7M9", "target_gene": null, "target_family": null, "num_assays": 1, "num_sources": 1, "earliest_year": 2024, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: 2-((3-hydroxyphenyl)amino)-6-((4-methyl-3-oxopiperazin-1-yl)methyl)pyrimidin-4(3H)-one\nSMILES: CN1CCN(Cc2cc(=O)[nH]c(Nc3cccc(O)c3)n2)CC1=O\nTarget: Q9H7M9, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "test", "question_id": "L4-0498"}
{"class": "tested", "correct_answer": "tested", "temporal_group": "pre_2023", "compound_name": "US11292791, Example 492::US11292791, Example 862", "compound_smiles": "COC(=O)N1c2ccc3c(nc(C(C)Cn4cc(C(F)F)cn4)n3C3CCCC(C(=O)O)C3)c2CC[C@@H]1C", "compound_inchikey": "RIIPKPQYSZYEGW-PERQIHFISA-N", "target_uniprot": "O60885", "target_gene": null, "target_family": null, "num_assays": 2, "num_sources": 2, "earliest_year": 2022, "evidence_quality": "silver", "source_db": "NegBioDB", "context_text": "Compound: US11292791, Example 492::US11292791, Example 862\nSMILES: COC(=O)N1c2ccc3c(nc(C(C)Cn4cc(C(F)F)cn4)n3C3CCCC(C(=O)O)C3)c2CC[C@@H]1C\nTarget: O60885, protein\n\nHas this compound-target pair been experimentally tested for interaction?\nIf tested, provide the source (database, assay ID, or publication).\n\nAnswer: tested / untested", "split": "fewshot", "question_id": "L4-0499"}