Upload 2 files

matched_molecular_pair.csv

@@ -1,481 +1,21 @@
-Question,TARGET_SMILES,PROPERTY_VALUE,COMPARISON_SMILES,Answer,Domain,Difficulty,Type,Task,Reference
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,CN(C)N=Nc1ccc(Br)cc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,CON(C)C(=O)Nc1ccc(Br)cc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,Nc1ccc(Br)cc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,O=CNc1ccc(Br)cc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,O=C(CF)NCc1ccc(Br)cc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,O=C(CF)Nc1ccc(Br)cc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,CCOP(=S)(OCC)Oc1ccc(N=C=S)cc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,Fc1ccc(Br)cc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,CNN=Nc1ccc(Br)cc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,C=CC=NNc1ccccc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,C=Cc1ccccc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,C=COC(=O)c1ccccc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,C=C(C)c1ccccc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,CC(=O)c1ccccc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,CC(=O)CCc1ccccc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,CC(=O)Nc1ccccc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,CC(=O)OCc1ccccc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,CC(=S)Nc1ccccc1,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,CC(C)(O)c1ccccc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to compare the property values of two molecules based on their SMILES structures.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-- Comparison Molecule SMILES: {{COMPARISON_SMILES}}
-
-Task:
-Determine whether the comparison molecule has a HIGHER or LOWER property value than the target molecule.
-
-Options:
-A: Higher (comparison molecule has higher property value than target)
-B: Lower (comparison molecule has lower property value than target)
-
-Requirements:
-- Analyze the structural features of both molecules
-- Predict which molecule has the higher property value
-- Provide only the letter of your answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A or B]</ANSWER>",Brc1ccccc1,1.765,CC(C)(O)Cc1ccccc1,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons
+TARGET_SMILES,PROPERTY_VALUE,PROPERTY_TYPE,MATCH_SMILES,MATCH_VALUE,COMPARE,Answer,Domain,Difficulty,Type,Task,Reference
+S=C=Nc1ccc(Br)cc1,2.729,LD50,CN(C)N=Nc1ccc(Br)cc1,2.732,+,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+S=C=Nc1ccc(Br)cc1,2.729,LD50,CON(C)C(=O)Nc1ccc(Br)cc1,2.112,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+S=C=Nc1ccc(Br)cc1,2.729,LD50,Nc1ccc(Br)cc1,2.577,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+S=C=Nc1ccc(Br)cc1,2.729,LD50,CNN=Nc1ccc(Br)cc1,2.662,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+Brc1ccccc1,1.765,LD50,C=CC=NNc1ccccc1,2.32,+,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+Brc1ccccc1,1.765,LD50,C=Cc1ccccc1,1.319,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+Brc1ccccc1,1.765,LD50,C=COC(=O)c1ccccc1,1.659,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+Brc1ccccc1,1.765,LD50,CC(=S)Nc1ccccc1,1.759,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+Brc1ccccc1,1.765,LD50,CC(C)(O)c1ccccc1,2.02,+,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+Brc1ccccc1,1.765,LD50,CC(C)(O)Cc1ccccc1,2.07,+,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons LD50
+Cc1cccc(C)c1NC(=O)C(C)[NH3+],1.8,VDss,Cc1cccc(C)c1OCC(C)[NH3+],5.9,+,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+CC(C)Cc1ccc(C(C)C(=O)[O-])cc1,0.15,VDss,CC(C(=O)[O-])c1ccc(C(=O)c2cccs2)cc1,0.04,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+CCCCCCC[NH+](CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,12,VDss,CC(C)[NH2+]CC(O)c1ccc(NS(C)(=O)=O)cc1,1.3,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1,0.12,VDss,Cc1ccc(S(=O)(=O)[N-]C(=O)NN2CC3CCCC3C2)cc1,0.43,+,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+CC(C)NCC(O)c1cc(O)cc(O)c1,6.03,VDss,CC(C)(C)[NH2+]CC(O)c1cc(O)cc(O)c1,1.5,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+COC[C@@H](O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I,0.2,VDss,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0.16,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0.16,VDss,COC[C@@H](O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I,0.2,+,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0.23,VDss,COC[C@@H](O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I,0.2,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+CC[NH+](CC)CCNC(=O)c1ccc(NC(C)=O)cc1,1.9,VDss,CC(=O)Nc1ccc(O)cc1,1,-,B,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss
+CC[NH+](CC)CCNC(=O)c1ccc(NC(C)=O)cc1,1.9,VDss,CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,3.2,+,A,Biology,hard,Advance Reasoning,Matched Molecular Pair (MMP) Reasoning,Therapeutics Data Commons Vdss

property_based_matching.csv

@@ -1,521 +1,21 @@
-Question,TARGET_SMILES,PROPERTY_VALUE,option_A,option_B,option_C,option_D,Answer,Domain,Difficulty,Type,Task,Reference
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",S=C=Nc1ccc(Br)cc1,2.729,CN(C)N=Nc1ccc(Br)cc1,O=c1oc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21,O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,O=c1sc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21,A,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",Brc1ccccc1,1.765,Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2,c1ccc([Si]23OCCN(CCO2)CCO3)cc1,CC(=O)OC(C)(C)Cc1ccccc1,O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,C,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",C=CC(=O)OCCOc1ccccc1,1.569,O=C(CF)OCCOC(=O)CF,NCCOCNc1ccccc1,CC(C)C(=O)OCCc1ccccc1,O=C(Cc1ccc(-c2ccccc2)cc1)OCCF,C,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",C=CC=NNc1ccccc1,2.32,O=C(O)CCC(=O)c1ccc2oc3ccccc3c2c1,NCCOCNc1ccccc1,NC(=S)N=NNc1ccc(Cl)c(Cl)c1,c1ccc(NC[Si]23OCCN(CCO2)CCO3)cc1,A,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",C=Cc1ccccc1,1.319,CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)O)C1=O,c1ccc([Si]23OCCN(CCO2)CCO3)cc1,NC(=S)Nc1ccccc1,Cc1ccc(C)c(C)c1C,D,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",C=CCOC(=O)c1ccccc1C(=O)OCC=C,2.505,O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2,CCCCc1ccc(C(=O)c2ccccc2F)cc1,D,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",C=COC(=O)c1ccccc1,1.659,C=C(C)c1ccc(C(C)(C)N=C=O)cc1,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1,COP(=O)(OC)OCc1ccccc1,NCCOCNc1ccccc1,A,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1,2.107,Cc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1O,NC(=S)N=NNc1ccc(Cl)c(Cl)c1,Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2,CCCN1CCCC1=Nc1ccc(Cl)c(Cl)c1,D,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",C=C(C)c1ccccc1,1.382,NC(=S)Nc1ccccc1,COP(=O)(OC)OCc1ccccc1,Cc1ccc(C)c(C)c1,C=C(O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,C,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1ccc(C)cc1,1.982,O=C(O)CNC(=O)c1ccc(Cl)cc1,COP(=O)(OC)OCc1ccccc1,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,Cc1cccc(C)c1Nc1ncccc1C(=O)O,A,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1,2.465,CC(=O)OC1(C)CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,Cc1ccccc1OCC(O)CO,D,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1ccc(N)cc1,2.55,CNC(=O)ON=C1SCCOC1(C)C,CCOP(=S)(OCC)OC(C)=CC(=O)OC,O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,CC(NNC(=O)c1ccccc1)c1ccccc1,D,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1ccc(O)cc1O,1.73,CC(C)c1cc(Oc2c(I)cc(CC(=O)O)cc2I)ccc1O,Cc1cccc(C)c1Nc1ncccc1C(=O)O,CC(=O)OCC=Cc1ccccc1,O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,C,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1cccc([N+](=O)[O-])c1,1.706,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CCOc1ccc([N+](=O)[O-])cc1,COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1,C,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1cccc(N)c1,1.859,Cc1cccc(C)c1Nc1ncccc1C(=O)O,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1,O=C(O)c1cccc(Cl)n1,CNC(=O)Oc1cccc2c1OC(C)(C)CC2,C,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1ccccc1,2.169,NCCOCNc1ccccc1,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1,CC(=O)c1ccc2c(c1)N(CCCN1CCOCC1)c1ccccc1S2,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1,C,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1ccccc1Cl,1.929,CCCCCCCCCCCCCCCCCC(O)c1ccc(C(=O)O)c(Cl)c1,Cc1cccc(C)c1Nc1ncccc1C(=O)O,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1,Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2,A,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)c1ccccc1[N+](=O)[O-],2.014,O=C=Nc1ccc([N+](=O)[O-])cc1,CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,A,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)CC(=O)Nc1ccccc1,1.581,O=C(CF)Nc1ccc(F)cc1,NC(=S)Nc1ccccc1,NCCOCNc1ccccc1,CC(=O)OCCCc1ccccc1,D,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
-"You are an expert biochemist specializing in molecular property prediction. Your task is to identify which molecule from the given options has a property value closest to the target molecule's property value.
-
-Given Information:
-- Target Molecule SMILES: {{TARGET_SMILES}}
-- Target Property Value: {{PROPERTY_VALUE}}
-- Property Definition: LD50
-
-Options:
-A: {{option_a}}
-B: {{option_b}}
-C: {{option_c}}
-D: {{option_d}}
-
-Instructions:
-1. Analyze the structural features of each option molecule
-2. Compare the predicted property value of each option to the target value
-3. Select the option whose property value is numerically closest to the target
-4. Consider that structural similarity often correlates with property similarity
-
-Requirements:
-- Provide only the letter of your chosen answer
-- Do not include explanations or reasoning
-- Wrap your answer in <ANSWER></ANSWER> tags
-
-Output Format:
-<ANSWER>[Single letter: A, B, C, or D]</ANSWER>",CC(=O)CCc1ccc(O)cc1,2.095,O=C(OCc1ccccc1)c1ccccc1,CCOP(=O)(OCC)OC(C)=CSC,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1,O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,A,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons
+TARGET_SMILES,PROPERTY_VALUE,PROPERTY_TYPE,option_A,option_B,option_C,option_D,Answer,value_A,value_B,value_C,value_D,Domain,Difficulty,Type,Task,Reference
+S=C=Nc1ccc(Br)cc1,2.729,LD50,CN(C)N=Nc1ccc(Br)cc1,O=c1oc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21,O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,O=c1sc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21,A,2.732,6.515,6.032,5.992,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+Brc1ccccc1,1.765,LD50,Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2,c1ccc([Si]23OCCN(CCO2)CCO3)cc1,CC(=O)OC(C)(C)Cc1ccccc1,O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,C,8.605,5.23,1.765,6.032,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+C=CC(=O)OCCOc1ccccc1,1.569,LD50,O=C(CF)OCCOC(=O)CF,NCCOCNc1ccccc1,CC(C)C(=O)OCCc1ccccc1,O=C(Cc1ccc(-c2ccccc2)cc1)OCCF,C,4.918,5.425,1.568,4.634,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+C=CC=NNc1ccccc1,2.32,LD50,O=C(O)CCC(=O)c1ccc2oc3ccccc3c2c1,NCCOCNc1ccccc1,NC(=S)N=NNc1ccc(Cl)c(Cl)c1,c1ccc(NC[Si]23OCCN(CCO2)CCO3)cc1,A,2.32,5.425,5.396,5.932,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+C=Cc1ccccc1,1.319,LD50,CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)O)C1=O,c1ccc([Si]23OCCN(CCO2)CCO3)cc1,NC(=S)Nc1ccccc1,Cc1ccc(C)c(C)c1C,D,4.78,5.23,4.705,1.321,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,2.505,LD50,O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2,CCCCc1ccc(C(=O)c2ccccc2F)cc1,D,5.957,6.032,8.605,2.506,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+C=COC(=O)c1ccccc1,1.659,LD50,C=C(C)c1ccc(C(C)(C)N=C=O)cc1,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1,COP(=O)(OC)OCc1ccccc1,NCCOCNc1ccccc1,A,1.66,5.356,5.084,5.425,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1,2.107,LD50,Cc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1O,NC(=S)N=NNc1ccc(Cl)c(Cl)c1,Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2,CCCN1CCCC1=Nc1ccc(Cl)c(Cl)c1,D,5.385,5.396,10.207,2.107,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+C=C(C)c1ccccc1,1.382,LD50,NC(=S)Nc1ccccc1,COP(=O)(OC)OCc1ccccc1,Cc1ccc(C)c(C)c1,C=C(O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,C,4.705,5.084,1.381,4.472,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+CC(=O)CCc1ccc(O)cc1,2.095,LD50,O=C(OCc1ccccc1)c1ccccc1,CCOP(=O)(OCC)OC(C)=CSC,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1,O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,A,2.096,5.205,5.356,5.957,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons LD50
+O=S(=O)(O)c1cc(O)ccc1O,0.12,VDss,NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1,O=c1c([O-])c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12,C[N+]1(C)C2CC(OC(=O)C(O)(c3cccs3)c3cccs3)CC1C1OC12,CCC1(O)CC(OC2CC(N3CCOCC3)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=O,B,53,0.12,32,20.9,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+Cc1cccc(C)c1NC(=O)C(C)[NH3+],1.8,VDss,Nc1nc(CC(=O)Nc2ccc(CC[NH2+]CC(O)c3ccccc3)cc2)cs1,CC[NH+](CC)CC(=O)Nc1c(C)cccc1C,CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC([NH3+])C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O,CCCCCCCCCCCCCCCC(O)C(C)[NH3+],B,23.8,1.8,38,30.7,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+CC(C)Cc1ccc(C(C)C(=O)[O-])cc1,0.15,VDss,NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1,CCCCCCCCCCCCCCCC(O)C(C)[NH3+],Nc1nc(CC(=O)Nc2ccc(CC[NH2+]CC(O)c3ccccc3)cc2)cs1,CC(C)C1CCC(C(=O)NC(Cc2ccccc2)C(=O)[O-])CC1,D,53,30.7,23.8,0.15,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+CCCCCCC[NH+](CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,12,VDss,CC[NH+](CC)CCCC(C)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc12,CC[NH+](CC)CCCC(C)Nc1cc[nH+]c2cc(Cl)ccc12,CC[NH+](CCO)CCCC(C)Nc1cc[nH+]c2cc(Cl)ccc12,CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)C[NH+](C)C,D,45,140,700,12,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1,0.12,VDss,CCCCCCCCCCCCCCCC(O)C(C)[NH3+],CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1,CC[NH+](CCO)CCCC(C)Nc1cc[nH+]c2cc(Cl)ccc12,Cc1ccc(C(=O)c2cc(O)c([O-])c([N+](=O)[O-])c2)cc1,D,30.7,60,700,0.12,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+O=C(/C=C/c1ccccc1)NCCO,0.11,VDss,CN(C)C(=O)CCSC(SCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,Nc1nc(CC(=O)Nc2ccc(CC[NH2+]CC(O)c3ccccc3)cc2)cs1,C[NH2+]CCC=C1c2ccccc2CCc2ccccc21,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1,A,0.11,23.8,22,60,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+CC(C)NCC(O)c1cc(O)cc(O)c1,6.03,VDss,CCCCCCCCCCCCCCCC(O)C(C)[NH3+],CC[NH+](CC)CCCC(C)Nc1cc[nH+]c2cc(Cl)ccc12,CC([NH3+])Cc1ccccc1,CC[NH+](CCO)CCCC(C)Nc1cc[nH+]c2cc(Cl)ccc12,C,30.7,140,6.1,700,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+COC[C@@H](O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I,0.2,VDss,COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1,CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1,C,23.7,60,0.2,31.2,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+NC(=O)c1cccc(N)c1,1.9,VDss,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1,Nc1nc(CC(=O)Nc2ccc(CC[NH2+]CC(O)c3ccccc3)cc2)cs1,NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1,CC[NH+](CC)CCNC(=O)c1ccc(NC(C)=O)cc1,D,60,23.8,53,1.9,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss
+CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0.16,VDss,Nc1nc(CC(=O)Nc2ccc(CC[NH2+]CC(O)c3ccccc3)cc2)cs1,C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)[N-]C(=O)NC3CCCCC3)cc2)cn1,D,23.8,35.37,60,0.16,Biology,hard,Advance Reasoning,Property-based Matching,Therapeutics Data Commons VDss