molvision/BBBP-V-Train · Datasets at Hugging Face

Question stringlengths 580 977	Answer stringclasses 2 values	TargetMolecule stringlengths 3 400	SampleMethod stringclasses 1 value	SampleRep stringclasses 1 value
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(C#N)C=CC3=C1C4=C(C2=C(C=CC=C2)S3)CCN(CC4)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(C#N)C=CC3=C1C4=C(C2=C(C=CC=C2)S3)CCN(CC4)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]34(F)C(C2C(C1(N=C(OC1C2)C)C(=O)COC(=O)C)(CC3O)C)CCC5=CC(=O)C=CC45C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@]34(F)C(C2C(C1(N=C(OC1C2)C)C(=O)COC(=O)C)(CC3O)C)CCC5=CC(=O)C=CC45C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@H](CN2CCN(C1=CC=CC=CC1=O)CC2)(C3=CC(=C(OC)C=C3)OC)O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@H](CN2CCN(C1=CC=CC=CC1=O)CC2)(C3=CC(=C(OC)C=C3)OC)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]125C3=C4C[C@H]([C@@]1(CCC([C@@H]2OC3=C(C=C4)O)=O)O)N(CCOC)CC5 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@]125C3=C4C[C@H]([C@@]1(CCC([C@@H]2OC3=C(C=C4)O)=O)O)N(CCOC)CC5	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CNC(NC(C(Cl)(Cl)Cl)O)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CNC(NC(C(Cl)(Cl)Cl)O)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C3=C(N2CCN(C\C=C\C1=CC=CC=C1)CC2)N=NC(=C3)Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C3=C(N2CCN(C\C=C\C1=CC=CC=C1)CC2)N=NC(=C3)Cl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): n1c(csc1\[NH]=C(\N)N)c1cccc(c1)N\C(NC)=[NH]\C#N Blood-Brain Barrier Penetration:	<boolean>No</boolean>	n1c(csc1\[NH]=C(\N)N)c1cccc(c1)N\C(NC)=[NH]\C#N	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): O.O.CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	O.O.CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1=CC=NC=C1)OC3=C2C=CC=C3 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2=C(C1=CC=NC=C1)OC3=C2C=CC=C3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C3=C(C(O)(C1=CC=CC=C1)C2CCNCC2)C=CC=C3 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C3=C(C(O)(C1=CC=CC=C1)C2CCNCC2)C=CC=C3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(SC1=NSN=C1C2=CCCN(C2)C)CCCCC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(SC1=NSN=C1C2=CCCN(C2)C)CCCCC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1cc(ncc1)CSCCNc1c(cc[nH]1)[N+](=O)[O-] Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	c1cc(ncc1)CSCCNc1c(cc[nH]1)[N+](=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCNCC(O)c1cccc(O)c1 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CCNCC(O)c1cccc(O)c1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@H]24[C@H]1[C@@]([C@](C(COC(C)=O)=O)(O)CC1)(CC([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)Cl)C)=O)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@H]24[C@H]1[C@@]([C@](C(COC(C)=O)=O)(O)CC1)(CC([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)Cl)C)=O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN2C(Cc1ccccc1N=C2C)c3ccccc3 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CN2C(Cc1ccccc1N=C2C)c3ccccc3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]126C3=C4C[C@H]([C@@H]1C=C[C@@H]([C@@H]2OC3=C(C=C4)OCC5=CC=CC=C5)OC(CCCCCCCCCCCCC)=O)N(CC6)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@]126C3=C4C[C@H]([C@@H]1C=C[C@@H]([C@@H]2OC3=C(C=C4)OCC5=CC=CC=C5)OC(CCCCCCCCCCCCC)=O)N(CC6)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): NC(=O)OCCCc1ccccc1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	NC(=O)OCCCc1ccccc1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN(C)CCC=C1c2ccccc2CCc3ccccc13 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CN(C)CCC=C1c2ccccc2CCc3ccccc13	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC1(C)SC2C(NC(=O)CSc3ccccc3)C(=O)N2C1C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC1(C)SC2C(NC(=O)CSc3ccccc3)C(=O)N2C1C(O)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCCC(C)CC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCCC(C)CC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(NCC(N)=O)CCCC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(NCC(N)=O)CCCC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1(C(N(C(=O)N(C1=O)CC(COCCCC)OC(N)=O)CC(COCCCC)OC(N)=O)=O)CC)C=CC=C2 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2=C(C1(C(N(C(=O)N(C1=O)CC(COCCCC)OC(N)=O)CC(COCCCC)OC(N)=O)=O)CC)C=CC=C2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): COCC(=O)O[C@]1(CCN(C)CCCc2[nH]c3ccccc3n2)CCc4cc(F)ccc4[C@@H]1C(C)C Blood-Brain Barrier Penetration:	<boolean>No</boolean>	COCC(=O)O[C@]1(CCN(C)CCCc2[nH]c3ccccc3n2)CCc4cc(F)ccc4[C@@H]1C(C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): O.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4ccccc4)C(=O)C1=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	O.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4ccccc4)C(=O)C1=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC(=CC=C1OCC(NCCN(CC)CC)=O)Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC(=CC=C1OCC(NCCN(CC)CC)=O)Cl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(C)C(CC)C(=O)NC(N)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC(C)C(CC)C(=O)NC(N)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1C(CCC1)N)C=CC=C2 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2=C(C1C(CCC1)N)C=CC=C2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4C)C)(OC(C5=CC=CO5)=O)C(COC(C)=O)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4C)C)(OC(C5=CC=CO5)=O)C(COC(C)=O)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1[S](CCC(N1C)=O)(=O)=O)C=CC(=C2Cl)Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2=C(C1[S](CCC(N1C)=O)(=O)=O)C=CC(=C2Cl)Cl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(C1OC(C(C)C)(C(C)C)OC1)O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(C1OC(C(C)C)(C(C)C)OC1)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CSC2=C1N(C3=C(C=C2)C=CC=C3)CCCN(C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CSC2=C1N(C3=C(C=C2)C=CC=C3)CCCN(C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN(C)Cc1ccc(c2cccc(NC3C([N+]([O-])=O)=CC=N3)c2)o1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CN(C)Cc1ccc(c2cccc(NC3C([N+]([O-])=O)=CC=N3)c2)o1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@H]37[C@H]2[C@@]([C@](C(COC(C1=CC(=CC=C1)[S](O)(=O)=O)=O)=O)(O)[C@@H](C2)C)(C[C@@H]([C@@H]3[C@@]4(C(=CC5=C(C4)C=N[N]5C6=CC=CC=C6)C(=C7)C)C)O)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@H]37[C@H]2[C@@]([C@](C(COC(C1=CC(=CC=C1)[S](O)(=O)=O)=O)=O)(O)[C@@H](C2)C)(C[C@@H]([C@@H]3[C@@]4(C(=CC5=C(C4)C=N[N]5C6=CC=CC=C6)C(=C7)C)C)O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCCCOC(=O)C(=O)C3C(C)CC4C2CC(F)C1=CC(=O)C=CC1(C)C2C(O)CC34C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCCCOC(=O)C(=O)C3C(C)CC4C2CC(F)C1=CC(=O)C=CC1(C)C2C(O)CC34C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(C)C=CC3=C1C(=NC2=C(C=CC=C2)S3)N4CCN(C)CC4 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(C)C=CC3=C1C(=NC2=C(C=CC=C2)S3)N4CCN(C)CC4	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(C)C(CC)C(=O)NC(N)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC(C)C(CC)C(=O)NC(N)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[N@@]2C[C@@H](CC2)O)c2n(CC1)ccn2)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[N@@]2C[C@@H](CC2)O)c2n(CC1)ccn2)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(SC)C=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(SC)C=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO Blood-Brain Barrier Penetration:	<boolean>No</boolean>	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cn3cnnn3)C(=O)N12)CSc4scnn4 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cn3cnnn3)C(=O)N12)CSc4scnn4	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC4(CN(C)CC4)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC4(CN(C)CC4)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(Cl)C=CC3=C1\C(C2=C(C=CC=C2)S3)=C/CCN4CCN(CCO)CC4 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(Cl)C=CC3=C1\C(C2=C(C=CC=C2)S3)=C/CCN4CCN(CCO)CC4	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@]2(C1=CC=CC=C1)([C@H](CN(C)CC2)CC)OC(CC)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@]2(C1=CC=CC=C1)([C@H](CN(C)CC2)CC)OC(CC)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1=C(C=CC(=C1)Cl)[N]2C3=CC=C(C=C3)F)C5CCN(CCN4C(NCC4)=O)CC5 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2=C(C1=C(C=CC(=C1)Cl)[N]2C3=CC=C(C=C3)F)C5CCN(CCN4C(NCC4)=O)CC5	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=NC(=NC(=C1CN(C(=C(SSCC2CCCO2)\CCO)/C)C=O)N)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=NC(=NC(=C1CN(C(=C(SSCC2CCCO2)\CCO)/C)C=O)N)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C5=C3C1=C(OC4C12C(C(N(CC2)C)C3)CC=C4C)C(=C5)O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C5=C3C1=C(OC4C12C(C(N(CC2)C)C3)CC=C4C)C(=C5)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2C1=NN=N[N]1CCCC2 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2C1=NN=N[N]1CCCC2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)C3=CC=C(NC3=O)c4ccc(cc4)[S](=O)(=O)N(CCO)CCO)c5ccc(O)cc5)C(=O)N2[C@H]1C([O-])=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)C3=CC=C(NC3=O)c4ccc(cc4)[S](=O)(=O)N(CCO)CCO)c5ccc(O)cc5)C(=O)N2[C@H]1C([O-])=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CSc1ccc2Sc3ccccc3N(CCC4CCCNC4)c2c1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CSc1ccc2Sc3ccccc3N(CCC4CCCNC4)c2c1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(Cl)C=CC2=C1C(=NO2)C([N]3C=CN=C3)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(Cl)C=CC2=C1C(=NO2)C([N]3C=CN=C3)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@H]25C(=C[C@@H](CN1CC(NC(C1)=O)=O)CN2C)C3=CC=CC4=C3C(=C[NH]4)C5 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@H]25C(=C[C@@H](CN1CC(NC(C1)=O)=O)CN2C)C3=CC=CC4=C3C(=C[NH]4)C5	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CNC1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CNC1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]23(C([C@H](N(CC1(CC1)O)CC2)CC4=C3C=C(C=C4)O)(C)C)CC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@]23(C([C@H](N(CC1(CC1)O)CC2)CC4=C3C=C(C=C4)O)(C)C)CC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC1(C)CC(=O)NC1=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC1(C)CC(=O)NC1=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1c(nccc1)CCN(C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	c1c(nccc1)CCN(C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC(=CC2=C1C(=NO2)C4CCN(CCCOC3=C(C=C(C(C)=O)C=C3)OC)CC4)F Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC(=CC2=C1C(=NO2)C4CCN(CCCOC3=C(C=C(C(C)=O)C=C3)OC)CC4)F	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC(=C1C2=NCC(N(C3=C2C(=N[N]3C)C)C)=O)F Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC(=C1C2=NCC(N(C3=C2C(=N[N]3C)C)C)=O)F	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(C1(C(CCC)CC)C(NC(=O)NC1=O)=O)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(C1(C(CCC)CC)C(NC(=O)NC1=O)=O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Blood-Brain Barrier Penetration:	<boolean>No</boolean>	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C([N+](=O)[O-])C=CC2=C1C(=NCC(N2C)=O)C3=CCCCC3 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C([N+](=O)[O-])C=CC2=C1C(=NCC(N2C)=O)C3=CCCCC3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(C1(CC(NC(C1)=O)=O)C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(C1(CC(NC(C1)=O)=O)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC2=C1CN(CC(N)=O)C(O2)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC2=C1CN(CC(N)=O)C(O2)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@H](CN1C3=C(SC2=C1C=CC=C2)C=CC(=C3)OC)(CN(C)C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@H](CN1C3=C(SC2=C1C=CC=C2)C=CC(=C3)OC)(CN(C)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(C(=C(C=C1C(NCC(N(CC)CC)=O)=O)OC)OC)OC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(C(=C(C=C1C(NCC(N(CC)CC)=O)=O)OC)OC)OC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(Cl)C=CC4=C1C3C2=CC=CC=C2CCN3CC(=O)N4C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(Cl)C=CC4=C1C3C2=CC=CC=C2CCN3CC(=O)N4C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)Cc3ccccc3)C2=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)Cc3ccccc3)C2=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]23(Cl)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C5C(CC3Cl)([C@]4(C(=O)CO)OC(O[C@@H]4C5)(C)C)C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@]23(Cl)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C5C(CC3Cl)([C@]4(C(=O)CO)OC(O[C@@H]4C5)(C)C)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@H]2(N=C(C1=C(C=CC(=C1)[N+](=O)[O-])NC2=O)C3=CC=CC=C3Cl)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@H]2(N=C(C1=C(C=CC(=C1)[N+](=O)[O-])NC2=O)C3=CC=CC=C3Cl)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): NCCCNCCS[P](O)(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	NCCCNCCS[P](O)(O)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc(N(=O)=O)cc1 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc(N(=O)=O)cc1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1(ccccc1)CC(N1[C@H](CN(CC1)C(=O)C)C[N@]1CC[C@H](C1)O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	c1(ccccc1)CC(N1[C@H](CN(CC1)C(=O)C)C[N@]1CC[C@H](C1)O)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(N1C(CCC1)=O)C(N)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(N1C(CCC1)=O)C(N)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [Na+].CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C([O-])=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	[Na+].CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C([O-])=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC(=C1CC2=CC=CS2)OCC3OCCNC3.O=C(O)\C=C/C(=O)O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC(=C1CC2=CC=CS2)OCC3OCCNC3.O=C(O)\C=C/C(=O)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC(=CC(=C1\C(=C\[N]2C=NC=N2)Cl)Cl)Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC(=CC(=C1\C(=C\[N]2C=NC=N2)Cl)Cl)Cl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC=C1CC(N(CC2=CC=CO2)C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC=C1CC(N(CC2=CC=CO2)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [NH]C(CC(C)C([N@@](C(C)(C)C)C(N)(C)N)(C)C)c1c(c(c[nH+][o+]1)C)[O-] Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[NH]C(CC(C)C([N@@](C(C)(C)C)C(N)(C)N)(C)C)c1c(c(c[nH+][o+]1)C)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC3=C1C(=NC2=CC=CC=C2S3)N4CCN(CCOCCO)CC4 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC3=C1C(=NC2=CC=CC=C2S3)N4CCN(CCOCCO)CC4	random	smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(C#N)C=CC3=C1C4=C(C2=C(C=CC=C2)S3)CCN(CC4)C Blood-Brain Barrier Penetration:

C1=C(C#N)C=CC3=C1C4=C(C2=C(C=CC=C2)S3)CCN(CC4)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3 Blood-Brain Barrier Penetration:

COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]34(F)C(C2C(C1(N=C(OC1C2)C)C(=O)COC(=O)C)(CC3O)C)CCC5=CC(=O)C=CC45C Blood-Brain Barrier Penetration:

[C@@]34(F)C(C2C(C1(N=C(OC1C2)C)C(=O)COC(=O)C)(CC3O)C)CCC5=CC(=O)C=CC45C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@H](CN2CCN(C1=CC=CC=CC1=O)CC2)(C3=CC(=C(OC)C=C3)OC)O Blood-Brain Barrier Penetration:

[C@@H](CN2CCN(C1=CC=CC=CC1=O)CC2)(C3=CC(=C(OC)C=C3)OC)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]125C3=C4C[C@H]([C@@]1(CCC([C@@H]2OC3=C(C=C4)O)=O)O)N(CCOC)CC5 Blood-Brain Barrier Penetration:

[C@@]125C3=C4C[C@H]([C@@]1(CCC([C@@H]2OC3=C(C=C4)O)=O)O)N(CCOC)CC5

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CNC(NC(C(Cl)(Cl)Cl)O)=O Blood-Brain Barrier Penetration:

CNC(NC(C(Cl)(Cl)Cl)O)=O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C3=C(N2CCN(C\C=C\C1=CC=CC=C1)CC2)N=NC(=C3)Cl Blood-Brain Barrier Penetration:

C3=C(N2CCN(C\C=C\C1=CC=CC=C1)CC2)N=NC(=C3)Cl

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): n1c(csc1\[NH]=C(\N)N)c1cccc(c1)N\C(NC)=[NH]\C#N Blood-Brain Barrier Penetration:

n1c(csc1\[NH]=C(\N)N)c1cccc(c1)N\C(NC)=[NH]\C#N

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): O.O.CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O Blood-Brain Barrier Penetration:

O.O.CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1=CC=NC=C1)OC3=C2C=CC=C3 Blood-Brain Barrier Penetration:

C2=C(C1=CC=NC=C1)OC3=C2C=CC=C3

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C3=C(C(O)(C1=CC=CC=C1)C2CCNCC2)C=CC=C3 Blood-Brain Barrier Penetration:

C3=C(C(O)(C1=CC=CC=C1)C2CCNCC2)C=CC=C3

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(SC1=NSN=C1C2=CCCN(C2)C)CCCCC Blood-Brain Barrier Penetration:

C(SC1=NSN=C1C2=CCCN(C2)C)CCCCC

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1cc(ncc1)CSCCNc1c(cc[nH]1)[N+](=O)[O-] Blood-Brain Barrier Penetration:

c1cc(ncc1)CSCCNc1c(cc[nH]1)[N+](=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCNCC(O)c1cccc(O)c1 Blood-Brain Barrier Penetration:

CCNCC(O)c1cccc(O)c1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@H]24[C@H]1[C@@]([C@](C(COC(C)=O)=O)(O)CC1)(CC([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)Cl)C)=O)C Blood-Brain Barrier Penetration:

[C@H]24[C@H]1[C@@]([C@](C(COC(C)=O)=O)(O)CC1)(CC([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)Cl)C)=O)C

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN2C(Cc1ccccc1N=C2C)c3ccccc3 Blood-Brain Barrier Penetration:

CN2C(Cc1ccccc1N=C2C)c3ccccc3

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]126C3=C4C[C@H]([C@@H]1C=C[C@@H]([C@@H]2OC3=C(C=C4)OCC5=CC=CC=C5)OC(CCCCCCCCCCCCC)=O)N(CC6)C Blood-Brain Barrier Penetration:

[C@@]126C3=C4C[C@H]([C@@H]1C=C[C@@H]([C@@H]2OC3=C(C=C4)OCC5=CC=CC=C5)OC(CCCCCCCCCCCCC)=O)N(CC6)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): NC(=O)OCCCc1ccccc1 Blood-Brain Barrier Penetration:

NC(=O)OCCCc1ccccc1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN(C)CCC=C1c2ccccc2CCc3ccccc13 Blood-Brain Barrier Penetration:

CN(C)CCC=C1c2ccccc2CCc3ccccc13

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC1(C)SC2C(NC(=O)CSc3ccccc3)C(=O)N2C1C(O)=O Blood-Brain Barrier Penetration:

CC1(C)SC2C(NC(=O)CSc3ccccc3)C(=O)N2C1C(O)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCCC(C)CC Blood-Brain Barrier Penetration:

CCCC(C)CC

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O Blood-Brain Barrier Penetration:

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13 Blood-Brain Barrier Penetration:

CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(NCC(N)=O)CCCC Blood-Brain Barrier Penetration:

C(NCC(N)=O)CCCC

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1(C(N(C(=O)N(C1=O)CC(COCCCC)OC(N)=O)CC(COCCCC)OC(N)=O)=O)CC)C=CC=C2 Blood-Brain Barrier Penetration:

C2=C(C1(C(N(C(=O)N(C1=O)CC(COCCCC)OC(N)=O)CC(COCCCC)OC(N)=O)=O)CC)C=CC=C2

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23 Blood-Brain Barrier Penetration:

N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): COCC(=O)O[C@]1(CCN(C)CCCc2[nH]c3ccccc3n2)CCc4cc(F)ccc4[C@@H]1C(C)C Blood-Brain Barrier Penetration:

COCC(=O)O[C@]1(CCN(C)CCCc2[nH]c3ccccc3n2)CCc4cc(F)ccc4[C@@H]1C(C)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): O.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4ccccc4)C(=O)C1=O Blood-Brain Barrier Penetration:

O.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4ccccc4)C(=O)C1=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC(=CC=C1OCC(NCCN(CC)CC)=O)Cl Blood-Brain Barrier Penetration:

C1=CC(=CC=C1OCC(NCCN(CC)CC)=O)Cl

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(C)C(CC)C(=O)NC(N)=O Blood-Brain Barrier Penetration:

CCC(C)C(CC)C(=O)NC(N)=O

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1C(CCC1)N)C=CC=C2 Blood-Brain Barrier Penetration:

C2=C(C1C(CCC1)N)C=CC=C2

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4C)C)(OC(C5=CC=CO5)=O)C(COC(C)=O)=O Blood-Brain Barrier Penetration:

[C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4C)C)(OC(C5=CC=CO5)=O)C(COC(C)=O)=O

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1[S](CCC(N1C)=O)(=O)=O)C=CC(=C2Cl)Cl Blood-Brain Barrier Penetration:

C2=C(C1[S](CCC(N1C)=O)(=O)=O)C=CC(=C2Cl)Cl

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 Blood-Brain Barrier Penetration:

[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(C1OC(C(C)C)(C(C)C)OC1)O Blood-Brain Barrier Penetration:

C(C1OC(C(C)C)(C(C)C)OC1)O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2 Blood-Brain Barrier Penetration:

c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Blood-Brain Barrier Penetration:

CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CSC2=C1N(C3=C(C=C2)C=CC=C3)CCCN(C)C Blood-Brain Barrier Penetration:

C1=CSC2=C1N(C3=C(C=C2)C=CC=C3)CCCN(C)C

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN(C)Cc1ccc(c2cccc(NC3C([N+]([O-])=O)=CC=N3)c2)o1 Blood-Brain Barrier Penetration:

CN(C)Cc1ccc(c2cccc(NC3C([N+]([O-])=O)=CC=N3)c2)o1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@H]37[C@H]2[C@@]([C@](C(COC(C1=CC(=CC=C1)[S](O)(=O)=O)=O)=O)(O)[C@@H](C2)C)(C[C@@H]([C@@H]3[C@@]4(C(=CC5=C(C4)C=N[N]5C6=CC=CC=C6)C(=C7)C)C)O)C Blood-Brain Barrier Penetration:

[C@H]37[C@H]2[C@@]([C@](C(COC(C1=CC(=CC=C1)[S](O)(=O)=O)=O)=O)(O)[C@@H](C2)C)(C[C@@H]([C@@H]3[C@@]4(C(=CC5=C(C4)C=N[N]5C6=CC=CC=C6)C(=C7)C)C)O)C

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Blood-Brain Barrier Penetration:

CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCCCOC(=O)C(=O)C3C(C)CC4C2CC(F)C1=CC(=O)C=CC1(C)C2C(O)CC34C Blood-Brain Barrier Penetration:

CCCCOC(=O)C(=O)C3C(C)CC4C2CC(F)C1=CC(=O)C=CC1(C)C2C(O)CC34C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(C)C=CC3=C1C(=NC2=C(C=CC=C2)S3)N4CCN(C)CC4 Blood-Brain Barrier Penetration:

C1=C(C)C=CC3=C1C(=NC2=C(C=CC=C2)S3)N4CCN(C)CC4

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(C)C(CC)C(=O)NC(N)=O Blood-Brain Barrier Penetration:

CCC(C)C(CC)C(=O)NC(N)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2 Blood-Brain Barrier Penetration:

CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[N@@]2C[C@@H](CC2)O)c2n(CC1)ccn2)=O Blood-Brain Barrier Penetration:

c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[N@@]2C[C@@H](CC2)O)c2n(CC1)ccn2)=O

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(SC)C=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)C Blood-Brain Barrier Penetration:

C1=C(SC)C=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)C

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO Blood-Brain Barrier Penetration:

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C Blood-Brain Barrier Penetration:

CCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 Blood-Brain Barrier Penetration:

CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cn3cnnn3)C(=O)N12)CSc4scnn4 Blood-Brain Barrier Penetration:

OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cn3cnnn3)C(=O)N12)CSc4scnn4

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC4(CN(C)CC4)C Blood-Brain Barrier Penetration:

C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC4(CN(C)CC4)C

random

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(Cl)C=CC3=C1\C(C2=C(C=CC=C2)S3)=C/CCN4CCN(CCO)CC4 Blood-Brain Barrier Penetration:

C1=C(Cl)C=CC3=C1\C(C2=C(C=CC=C2)S3)=C/CCN4CCN(CCO)CC4

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@]2(C1=CC=CC=C1)([C@H](CN(C)CC2)CC)OC(CC)=O Blood-Brain Barrier Penetration:

[C@]2(C1=CC=CC=C1)([C@H](CN(C)CC2)CC)OC(CC)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2=C(C1=C(C=CC(=C1)Cl)[N]2C3=CC=C(C=C3)F)C5CCN(CCN4C(NCC4)=O)CC5 Blood-Brain Barrier Penetration:

C2=C(C1=C(C=CC(=C1)Cl)[N]2C3=CC=C(C=C3)F)C5CCN(CCN4C(NCC4)=O)CC5

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=NC(=NC(=C1CN(C(=C(SSCC2CCCO2)\CCO)/C)C=O)N)C Blood-Brain Barrier Penetration:

C1=NC(=NC(=C1CN(C(=C(SSCC2CCCO2)\CCO)/C)C=O)N)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O Blood-Brain Barrier Penetration:

[O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C5=C3C1=C(OC4C12C(C(N(CC2)C)C3)CC=C4C)C(=C5)O Blood-Brain Barrier Penetration:

C5=C3C1=C(OC4C12C(C(N(CC2)C)C3)CC=C4C)C(=C5)O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C2C1=NN=N[N]1CCCC2 Blood-Brain Barrier Penetration:

C2C1=NN=N[N]1CCCC2

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)C3=CC=C(NC3=O)c4ccc(cc4)[S](=O)(=O)N(CCO)CCO)c5ccc(O)cc5)C(=O)N2[C@H]1C([O-])=O Blood-Brain Barrier Penetration:

[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)C3=CC=C(NC3=O)c4ccc(cc4)[S](=O)(=O)N(CCO)CCO)c5ccc(O)cc5)C(=O)N2[C@H]1C([O-])=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CSc1ccc2Sc3ccccc3N(CCC4CCCNC4)c2c1 Blood-Brain Barrier Penetration:

CSc1ccc2Sc3ccccc3N(CCC4CCCNC4)c2c1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(Cl)C=CC2=C1C(=NO2)C([N]3C=CN=C3)C Blood-Brain Barrier Penetration:

C1=C(Cl)C=CC2=C1C(=NO2)C([N]3C=CN=C3)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@H]25C(=C[C@@H](CN1CC(NC(C1)=O)=O)CN2C)C3=CC=CC4=C3C(=C[NH]4)C5 Blood-Brain Barrier Penetration:

[C@@H]25C(=C[C@@H](CN1CC(NC(C1)=O)=O)CN2C)C3=CC=CC4=C3C(=C[NH]4)C5

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CNC1 Blood-Brain Barrier Penetration:

c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CNC1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O Blood-Brain Barrier Penetration:

CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]23(C([C@H](N(CC1(CC1)O)CC2)CC4=C3C=C(C=C4)O)(C)C)CC Blood-Brain Barrier Penetration:

[C@@]23(C([C@H](N(CC1(CC1)O)CC2)CC4=C3C=C(C=C4)O)(C)C)CC

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC1(C)CC(=O)NC1=O Blood-Brain Barrier Penetration:

CCC1(C)CC(=O)NC1=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23 Blood-Brain Barrier Penetration:

N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1c(nccc1)CCN(C)C Blood-Brain Barrier Penetration:

c1c(nccc1)CCN(C)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl Blood-Brain Barrier Penetration:

CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC(=CC2=C1C(=NO2)C4CCN(CCCOC3=C(C=C(C(C)=O)C=C3)OC)CC4)F Blood-Brain Barrier Penetration:

C1=CC(=CC2=C1C(=NO2)C4CCN(CCCOC3=C(C=C(C(C)=O)C=C3)OC)CC4)F

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Blood-Brain Barrier Penetration:

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC(=C1C2=NCC(N(C3=C2C(=N[N]3C)C)C)=O)F Blood-Brain Barrier Penetration:

C1=CC=CC(=C1C2=NCC(N(C3=C2C(=N[N]3C)C)C)=O)F

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(C1(C(CCC)CC)C(NC(=O)NC1=O)=O)C Blood-Brain Barrier Penetration:

C(C1(C(CCC)CC)C(NC(=O)NC1=O)=O)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Blood-Brain Barrier Penetration:

C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C([N+](=O)[O-])C=CC2=C1C(=NCC(N2C)=O)C3=CCCCC3 Blood-Brain Barrier Penetration:

C1=C([N+](=O)[O-])C=CC2=C1C(=NCC(N2C)=O)C3=CCCCC3

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(C1(CC(NC(C1)=O)=O)C)C Blood-Brain Barrier Penetration:

C(C1(CC(NC(C1)=O)=O)C)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC2=C1CN(CC(N)=O)C(O2)=O Blood-Brain Barrier Penetration:

C1=CC=CC2=C1CN(CC(N)=O)C(O2)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@H](CN1C3=C(SC2=C1C=CC=C2)C=CC(=C3)OC)(CN(C)C)C Blood-Brain Barrier Penetration:

[C@H](CN1C3=C(SC2=C1C=CC=C2)C=CC(=C3)OC)(CN(C)C)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 Blood-Brain Barrier Penetration:

CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(C(=C(C=C1C(NCC(N(CC)CC)=O)=O)OC)OC)OC Blood-Brain Barrier Penetration:

C1=C(C(=C(C=C1C(NCC(N(CC)CC)=O)=O)OC)OC)OC

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=C(Cl)C=CC4=C1C3C2=CC=CC=C2CCN3CC(=O)N4C Blood-Brain Barrier Penetration:

C1=C(Cl)C=CC4=C1C3C2=CC=CC=C2CCN3CC(=O)N4C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)Cc3ccccc3)C2=O Blood-Brain Barrier Penetration:

CC(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)Cc3ccccc3)C2=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5 Blood-Brain Barrier Penetration:

C1=CC=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@@]23(Cl)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C5C(CC3Cl)([C@]4(C(=O)CO)OC(O[C@@H]4C5)(C)C)C)C Blood-Brain Barrier Penetration:

[C@@]23(Cl)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C5C(CC3Cl)([C@]4(C(=O)CO)OC(O[C@@H]4C5)(C)C)C)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [C@H]2(N=C(C1=C(C=CC(=C1)[N+](=O)[O-])NC2=O)C3=CC=CC=C3Cl)C Blood-Brain Barrier Penetration:

[C@H]2(N=C(C1=C(C=CC(=C1)[N+](=O)[O-])NC2=O)C3=CC=CC=C3Cl)C

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O Blood-Brain Barrier Penetration:

CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): NCCCNCCS[P](O)(O)=O Blood-Brain Barrier Penetration:

NCCCNCCS[P](O)(O)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc(N(=O)=O)cc1 Blood-Brain Barrier Penetration:

c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc(N(=O)=O)cc1

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): c1(ccccc1)CC(N1[C@H](CN(CC1)C(=O)C)C[N@]1CC[C@H](C1)O)=O Blood-Brain Barrier Penetration:

c1(ccccc1)CC(N1[C@H](CN(CC1)C(=O)C)C[N@]1CC[C@H](C1)O)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C(N1C(CCC1)=O)C(N)=O Blood-Brain Barrier Penetration:

C(N1C(CCC1)=O)C(N)=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [Na+].CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C([O-])=O Blood-Brain Barrier Penetration:

[Na+].CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C([O-])=O

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC(=C1CC2=CC=CS2)OCC3OCCNC3.O=C(O)\C=C/C(=O)O Blood-Brain Barrier Penetration:

C1=CC=CC(=C1CC2=CC=CS2)OCC3OCCNC3.O=C(O)\C=C/C(=O)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2 Blood-Brain Barrier Penetration:

CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC(=CC(=C1\C(=C\[N]2C=NC=N2)Cl)Cl)Cl Blood-Brain Barrier Penetration:

C1=CC(=CC(=C1\C(=C\[N]2C=NC=N2)Cl)Cl)Cl

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC=C1CC(N(CC2=CC=CO2)C)C Blood-Brain Barrier Penetration:

C1=CC=CC=C1CC(N(CC2=CC=CO2)C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O Blood-Brain Barrier Penetration:

[O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): [NH]C(CC(C)C([N@@](C(C)(C)C)C(N)(C)N)(C)C)c1c(c(c[nH+][o+]1)C)[O-] Blood-Brain Barrier Penetration:

[NH]C(CC(C)C([N@@](C(C)(C)C)C(N)(C)N)(C)C)c1c(c(c[nH+][o+]1)C)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1 Blood-Brain Barrier Penetration:

COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration. Examples: Target Molecule (Smiles): C1=CC=CC3=C1C(=NC2=CC=CC=C2S3)N4CCN(CCOCCO)CC4 Blood-Brain Barrier Penetration:

C1=CC=CC3=C1C(=NC2=CC=CC=C2S3)N4CCN(CCOCCO)CC4

random

0

smiles

Datasets:

molvision
/

BBBP-V-Train

BBBP-V-SMILES Train Dataset

Dataset Description

Features

Dataset Statistics

Usage

Data Fields

Citation