molvision/BBBP-V-SMILES-0 · Datasets at Hugging Face

Question stringlengths 70 783	Answer stringclasses 2 values	TargetMolecule stringlengths 6 264	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=CC(CN(C)C)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=CC(CN(C)C)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@@H](NC6=O)C(O)=O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@@H](NC6=O)C(O)=O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC1(CCC(C)C)C(=O)NC(=O)NC1=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F Blood-Brain Barrier Penetration:	<boolean>No</boolean>	N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)ccc(C(F)(F)F)cc1 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)ccc(C(F)(F)F)cc1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CC)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CC)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC(C)O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CC(C)O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(O)C=CC4=C1C3(C(C(N(CC2CCC2)CC3)C4)(C)C)CC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(O)C=CC4=C1C3(C(C(N(CC2CCC2)CC3)C4)(C)C)CC	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C3=C(C2(C(N(CN1CCOCC1)C(C2)=O)=O)C)C=CC=C3 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C3=C(C2(C(N(CN1CCOCC1)C(C2)=O)=O)C)C=CC=C3	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC4CC3C2CC(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)SCF Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CC4CC3C2CC(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)SCF	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)OC Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)OC	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O	scaffold	smiles
Error: Unable to process the input - 'NoneType' object is not iterable	<boolean>No</boolean>	n1c(csc1\[NH]=C(\N)N)c1cccc(c1)N\C(NC)=[NH]\C#N	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CO[C@@]12[C@H](COC(N)=O)C3=C(N1C[C@@H]4N[C@H]24)C(=O)C(=C(N)C3=O)C Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CO[C@@]12[C@H](COC(N)=O)C3=C(N1C[C@@H]4N[C@H]24)C(=O)C(=C(N)C3=O)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C3=C(N2C(C(C1=CC=CC=C1)CC2=O)=O)C(=CC(=C3)[S](N)(=O)=O)Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C3=C(N2C(C(C1=CC=CC=C1)CC2=O)=O)C(=CC(=C3)[S](N)(=O)=O)Cl	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): OC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C[S](O)(=O)=O)c4ccccc4 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	OC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C[S](O)(=O)=O)c4ccccc4	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=NC(=NC2=C1N=C[N]2COCCO)N Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=NC(=NC2=C1N=C[N]2COCCO)N	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Clc1cc2c(Oc3ccccc3C3CN(CC32)C)cc1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	Clc1cc2c(Oc3ccccc3C3CN(CC32)C)cc1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC3CC2C1CCC(C(C)=O)C1(C)CC(O)C2C4(C)C=CC(=O)C=C34 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CC3CC2C1CCC(C(C)=O)C1(C)CC(O)C2C4(C)C=CC(=O)C=C34	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(CC)=O)=O)OC(OCC)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(CC)=O)=O)OC(OCC)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.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	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C3=C(OC2C1(NC(=O)C(O1)C)CCCC2)C=CC=C3Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C3=C(OC2C1(NC(=O)C(O1)C)CCCC2)C=CC=C3Cl	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1cccc(C)c1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	Cc1cccc(C)c1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC	scaffold	smiles
Error: Unable to process the input - 'NoneType' object is not iterable	<boolean>Yes</boolean>	c1(cc(N\C(=[NH]\c2cccc(c2)CC)C)ccc1)CC	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(C(=CC=C1C2CNC(C2)=O)OC)OC3CCCC3 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(C(=CC=C1C2CNC(C2)=O)OC)OC3CCCC3	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC=C1C(C(OC2CC3[N+](C(C2)CC3)(C)[O-])=O)CO Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC=C1C(C(OC2CC3[N+](C(C2)CC3)(C)[O-])=O)CO	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(F)cccc4Cl Blood-Brain Barrier Penetration:	<boolean>No</boolean>	Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(F)cccc4Cl	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=NOCCN(C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=NOCCN(C)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C3=C(C1N2C(=NC1)NCC2)C=CC=C3 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C3=C(C1N2C(=NC1)NCC2)C=CC=C3	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C4Oc3ccc(CN1CCN(CC1)c2ncccn2)cc3O4 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C4Oc3ccc(CN1CCN(CC1)c2ncccn2)cc3O4	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [N+](=NCC(=O)N[C@@H]([C@H](O)C1=CC=C([N+]([O-])=O)C=C1)CO)=[N-] Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[N+](=NCC(=O)N[C@@H]([C@H](O)C1=CC=C([N+]([O-])=O)C=C1)CO)=[N-]	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@]34([C@H]([C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]5O[C@H](O[C@@]45C(O[C@@H](OC(OCC)=O)C)=O)CCC)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@]34([C@H]([C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]5O[C@H](O[C@@]45C(O[C@@H](OC(OCC)=O)C)=O)CCC)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC(=CC(=C1NC(OCC)=O)N)NCC2=CC=C(C=C2)F Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC(=CC(=C1NC(OCC)=O)N)NCC2=CC=C(C=C2)F	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C(Br)(Br)Br Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(Br)(Br)Br	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): NC1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	NC1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [Cl-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)\O)C1=O.[H+] Blood-Brain Barrier Penetration:	<boolean>No</boolean>	[Cl-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)\O)C1=O.[H+]	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC(C)(O/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C([O-])=O)C[n+]3ccccc3)/c4csc(N)n4)C(O)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CC(C)(O/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C([O-])=O)C[n+]3ccccc3)/c4csc(N)n4)C(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C2=C(C1(C(N(C)C(N1)=O)=O)CC)C=CC=C2 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2=C(C1(C(N(C)C(N1)=O)=O)CC)C=CC=C2	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): ClC(Cl)Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	ClC(Cl)Cl	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C3C(=C(C(=C1)CNC2=CC(=C(C(=C2)OC)OC)OC)C)C(=NC(=N3)N)N Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C3C(=C(C(=C1)CNC2=CC(=C(C(=C2)OC)OC)OC)C)C(=NC(=N3)N)N	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): O=C1NCCN1C4CCN(CCC3COc2ccccc2O3)CC4 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	O=C1NCCN1C4CCN(CCC3COc2ccccc2O3)CC4	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)CC2=O)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)CC2=O)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@H]5(CN(C(C3=C2C1=CC(=CC=C1CCN2C(=O)C(=C3)C4=CC=CC=C4)Cl)=O)CC5)OCC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@H]5(CN(C(C3=C2C1=CC(=CC=C1CCN2C(=O)C(=C3)C4=CC=CC=C4)Cl)=O)CC5)OCC	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC=C1C2OC(=NC2=O)N(C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC=C1C2OC(=NC2=O)N(C)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): c1c(nc2n1cccc2)CCN Blood-Brain Barrier Penetration:	<boolean>No</boolean>	c1c(nc2n1cccc2)CCN	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): COC1C(O)CC(=O)OC(C)C\C=C\C=C\C(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C Blood-Brain Barrier Penetration:	<boolean>No</boolean>	COC1C(O)CC(=O)OC(C)C\C=C\C=C\C(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC3=C1C(C2=C(C=CC=C2)C3(C)C)=CCCNC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC3=C1C(C2=C(C=CC=C2)C3(C)C)=CCCNC	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(NC(C(Cl)(Cl)Cl)=O)C=CC(=C1)O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(NC(C(Cl)(Cl)Cl)=O)C=CC(=C1)O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): NC(N)=NCCN1CCCCCCC1 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	NC(N)=NCCN1CCCCCCC1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): NC(N)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	NC(N)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C4=C(CCNC(C12CC3CC(C1)CC(C2)C3)=O)C=CC(=C4O)O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C4=C(CCNC(C12CC3CC(C1)CC(C2)C3)=O)C=CC(=C4O)O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Clc1ccc2n3cnnc3CN=C(c4ccccc4)c2c1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	Clc1ccc2n3cnnc3CN=C(c4ccccc4)c2c1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(O)=O)nn1 Blood-Brain Barrier Penetration:	<boolean>No</boolean>	Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(O)=O)nn1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): FC(F)(F)COC=C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	FC(F)(F)COC=C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC=C1CNC(CCCl)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC=CC=C1CNC(CCCl)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.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(CC)=O)C(CCl)=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(CC)=O)C(CCl)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): ClCCNC(=O)N(CCCl)N=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	ClCCNC(=O)N(CCCl)N=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CNC1(CCCCC1=O)c2ccccc2Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CNC1(CCCCC1=O)c2ccccc2Cl	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1cccc(C)c1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	Cc1cccc(C)c1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1ncc2C(O)N=C(c3ccccc3F)c4cc(Cl)ccc4n12 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	Cc1ncc2C(O)N=C(c3ccccc3F)c4cc(Cl)ccc4n12	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C(C1(C(NC(=O)NC1=O)=O)CC=C)C(=C)Br Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(C1(C(NC(=O)NC1=O)=O)CC=C)C(=C)Br	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C(C2C1C(NC(N1)=O)CS2)CCCC(O)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(C2C1C(NC(N1)=O)CS2)CCCC(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(C(F)(F)F)C=CC=C1C2=CCN(CC2)CCC4=CC3=CC=CC=C3C=C4 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(C(F)(F)F)C=CC=C1C2=CCN(CC2)CCC4=CC3=CC=CC=C3C=C4	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN(C)CC\C=C/1c2ccccc2Sc3ccc(Cl)cc13 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CN(C)CC\C=C/1c2ccccc2Sc3ccc(Cl)cc13	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(Cl)C=CC2=C1C(=NCC(N2CC(CO)O)=O)C3=CC=CC=C3F Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(Cl)C=CC2=C1C(=NCC(N2CC(CO)O)=O)C3=CC=CC=C3F	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@H](C1=CC(=CC=C1)OC(N(CC)C)=O)(N(C)C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@H](C1=CC(=CC=C1)OC(N(CC)C)=O)(N(C)C)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(C=CC=C1N2CCN(CCNC(N)=O)CC2)C(F)(F)F Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C(C=CC=C1N2CCN(CCNC(N)=O)CC2)C(F)(F)F	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): NC(=O)OCC1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1[S](O)(=O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	NC(=O)OCC1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1[S](O)(=O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C5=C4C3=C(C2N(CC1CC(OC)C(C(C1C2)C(OC)=O)OC)CC3)[NH]C4=CC(=C5)OC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C5=C4C3=C(C2N(CC1CC(OC)C(C(C1C2)C(OC)=O)OC)CC3)[NH]C4=CC(=C5)OC	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.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	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC4CC3C2CC(F)(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CC4CC3C2CC(F)(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@]24(F)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C3C(C([C@@H](C3)C)C(=O)CO)(CC4O)C)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@]24(F)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C3C(C([C@@H](C3)C)C(=O)CO)(CC4O)C)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC(=CC3=C1N(C2=NC(=O)CO2)CCN=C3C4=CC=CC=C4Cl)Cl Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=CC(=CC3=C1N(C2=NC(=O)CO2)CCN=C3C4=CC=CC=C4Cl)Cl	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC(C)=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC(C)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)c1ccccc1 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)c1ccccc1	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O Blood-Brain Barrier Penetration:	<boolean>No</boolean>	C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC1=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>	CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC(C)CC Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC(C)CC	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C2=C(N1C(SCC1)=N)C(=CC(=C2)Cl)N Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2=C(N1C(SCC1)=N)C(=CC(=C2)Cl)N	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@H]34C1=CC=CC2=C1C(=C[N]2C)C[C@H]3N(C[C@H](C4)N[S](N(C)C)(=O)=O)C Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	[C@@H]34C1=CC=CC2=C1C(=C[N]2C)C[C@H]3N(C[C@H](C4)N[S](N(C)C)(=O)=O)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C2=C1C(=NSC1=CC=C2)N5CCN(CCCCN3C(CC4(CC3=O)CCCC4)=O)CC5 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C2=C1C(=NSC1=CC=C2)N5CCN(CCCCN3C(CC4(CC3=O)CCCC4)=O)CC5	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC1(CCC(C)C)C(=O)NC(=O)NC1=O Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc3[nH]cnc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC Blood-Brain Barrier Penetration:	<boolean>No</boolean>	CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc3[nH]cnc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C4C(=CC=C1CN3CCC(NC(NC(C2=CC=CC=C2)=O)=O)CC3)C=CC=C4 Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C1=C4C(=CC=C1CN3CCC(NC(NC(C2=CC=CC=C2)=O)=O)CC3)C=CC=C4	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C(C)CCC(=O)OC3(CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C)C(=O)CO Blood-Brain Barrier Penetration:	<boolean>Yes</boolean>	C(C)CCC(=O)OC3(CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C)C(=O)CO	scaffold	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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=CC(CN(C)C)=O Blood-Brain Barrier Penetration:

C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=CC(CN(C)C)=O

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O Blood-Brain Barrier Penetration:

COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@@H](NC6=O)C(O)=O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2 Blood-Brain Barrier Penetration:

CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@@H](NC6=O)C(O)=O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC1(CCC(C)C)C(=O)NC(=O)NC1=O Blood-Brain Barrier Penetration:

CCC1(CCC(C)C)C(=O)NC(=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F Blood-Brain Barrier Penetration:

N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O Blood-Brain Barrier Penetration:

CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)ccc(C(F)(F)F)cc1 Blood-Brain Barrier Penetration:

c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)ccc(C(F)(F)F)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CC)=O Blood-Brain Barrier Penetration:

[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC(C)O Blood-Brain Barrier Penetration:

CC(C)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(O)C=CC4=C1C3(C(C(N(CC2CCC2)CC3)C4)(C)C)CC Blood-Brain Barrier Penetration:

C1=C(O)C=CC4=C1C3(C(C(N(CC2CCC2)CC3)C4)(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C3=C(C2(C(N(CN1CCOCC1)C(C2)=O)=O)C)C=CC=C3 Blood-Brain Barrier Penetration:

C3=C(C2(C(N(CN1CCOCC1)C(C2)=O)=O)C)C=CC=C3

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC4CC3C2CC(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)SCF Blood-Brain Barrier Penetration:

CC4CC3C2CC(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)SCF

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)OC Blood-Brain Barrier Penetration:

CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O Blood-Brain Barrier Penetration:

CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O

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smiles

Error: Unable to process the input - 'NoneType' object is not iterable

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

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CO[C@@]12[C@H](COC(N)=O)C3=C(N1C[C@@H]4N[C@H]24)C(=O)C(=C(N)C3=O)C Blood-Brain Barrier Penetration:

CO[C@@]12[C@H](COC(N)=O)C3=C(N1C[C@@H]4N[C@H]24)C(=O)C(=C(N)C3=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C3=C(N2C(C(C1=CC=CC=C1)CC2=O)=O)C(=CC(=C3)[S](N)(=O)=O)Cl Blood-Brain Barrier Penetration:

C3=C(N2C(C(C1=CC=CC=C1)CC2=O)=O)C(=CC(=C3)[S](N)(=O)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): OC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C[S](O)(=O)=O)c4ccccc4 Blood-Brain Barrier Penetration:

OC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C[S](O)(=O)=O)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=NC(=NC2=C1N=C[N]2COCCO)N Blood-Brain Barrier Penetration:

C1=NC(=NC2=C1N=C[N]2COCCO)N

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Clc1cc2c(Oc3ccccc3C3CN(CC32)C)cc1 Blood-Brain Barrier Penetration:

Clc1cc2c(Oc3ccccc3C3CN(CC32)C)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(O)=O Blood-Brain Barrier Penetration:

CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O Blood-Brain Barrier Penetration:

CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC3CC2C1CCC(C(C)=O)C1(C)CC(O)C2C4(C)C=CC(=O)C=C34 Blood-Brain Barrier Penetration:

CC3CC2C1CCC(C(C)=O)C1(C)CC(O)C2C4(C)C=CC(=O)C=C34

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(CC)=O)=O)OC(OCC)=O Blood-Brain Barrier Penetration:

[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(CC)=O)=O)OC(OCC)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.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

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C3=C(OC2C1(NC(=O)C(O1)C)CCCC2)C=CC=C3Cl Blood-Brain Barrier Penetration:

C3=C(OC2C1(NC(=O)C(O1)C)CCCC2)C=CC=C3Cl

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1cccc(C)c1 Blood-Brain Barrier Penetration:

Cc1cccc(C)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC Blood-Brain Barrier Penetration:

CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC

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smiles

Error: Unable to process the input - 'NoneType' object is not iterable

c1(cc(N\C(=[NH]\c2cccc(c2)CC)C)ccc1)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O Blood-Brain Barrier Penetration:

c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(C(=CC=C1C2CNC(C2)=O)OC)OC3CCCC3 Blood-Brain Barrier Penetration:

C1=C(C(=CC=C1C2CNC(C2)=O)OC)OC3CCCC3

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC=C1C(C(OC2CC3[N+](C(C2)CC3)(C)[O-])=O)CO Blood-Brain Barrier Penetration:

C1=CC=CC=C1C(C(OC2CC3[N+](C(C2)CC3)(C)[O-])=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(F)cccc4Cl Blood-Brain Barrier Penetration:

Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(F)cccc4Cl

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 Blood-Brain Barrier Penetration:

OCCN1CCN(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=NOCCN(C)C Blood-Brain Barrier Penetration:

C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=NOCCN(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C3=C(C1N2C(=NC1)NCC2)C=CC=C3 Blood-Brain Barrier Penetration:

C3=C(C1N2C(=NC1)NCC2)C=CC=C3

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C4Oc3ccc(CN1CCN(CC1)c2ncccn2)cc3O4 Blood-Brain Barrier Penetration:

C4Oc3ccc(CN1CCN(CC1)c2ncccn2)cc3O4

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [N+](=NCC(=O)N[C@@H]([C@H](O)C1=CC=C([N+]([O-])=O)C=C1)CO)=[N-] Blood-Brain Barrier Penetration:

[N+](=NCC(=O)N[C@@H]([C@H](O)C1=CC=C([N+]([O-])=O)C=C1)CO)=[N-]

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@]34([C@H]([C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]5O[C@H](O[C@@]45C(O[C@@H](OC(OCC)=O)C)=O)CCC)C Blood-Brain Barrier Penetration:

[C@]34([C@H]([C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]5O[C@H](O[C@@]45C(O[C@@H](OC(OCC)=O)C)=O)CCC)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC(=CC(=C1NC(OCC)=O)N)NCC2=CC=C(C=C2)F Blood-Brain Barrier Penetration:

C1=CC(=CC(=C1NC(OCC)=O)N)NCC2=CC=C(C=C2)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C(Br)(Br)Br Blood-Brain Barrier Penetration:

C(Br)(Br)Br

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): NC1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F Blood-Brain Barrier Penetration:

NC1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [Cl-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)\O)C1=O.[H+] Blood-Brain Barrier Penetration:

[Cl-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)\O)C1=O.[H+]

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=O Blood-Brain Barrier Penetration:

[C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC(C)(O/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C([O-])=O)C[n+]3ccccc3)/c4csc(N)n4)C(O)=O Blood-Brain Barrier Penetration:

CC(C)(O/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C([O-])=O)C[n+]3ccccc3)/c4csc(N)n4)C(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=O Blood-Brain Barrier Penetration:

[C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C2=C(C1(C(N(C)C(N1)=O)=O)CC)C=CC=C2 Blood-Brain Barrier Penetration:

C2=C(C1(C(N(C)C(N1)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): ClC(Cl)Cl Blood-Brain Barrier Penetration:

ClC(Cl)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O Blood-Brain Barrier Penetration:

CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C3C(=C(C(=C1)CNC2=CC(=C(C(=C2)OC)OC)OC)C)C(=NC(=N3)N)N Blood-Brain Barrier Penetration:

C1=C3C(=C(C(=C1)CNC2=CC(=C(C(=C2)OC)OC)OC)C)C(=NC(=N3)N)N

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): O=C1NCCN1C4CCN(CCC3COc2ccccc2O3)CC4 Blood-Brain Barrier Penetration:

O=C1NCCN1C4CCN(CCC3COc2ccccc2O3)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)CC2=O)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C Blood-Brain Barrier Penetration:

[C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)CC2=O)CC[C@@H]4[C@@]3(CC[C@H](C4)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@H]5(CN(C(C3=C2C1=CC(=CC=C1CCN2C(=O)C(=C3)C4=CC=CC=C4)Cl)=O)CC5)OCC Blood-Brain Barrier Penetration:

[C@H]5(CN(C(C3=C2C1=CC(=CC=C1CCN2C(=O)C(=C3)C4=CC=CC=C4)Cl)=O)CC5)OCC

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC=C1C2OC(=NC2=O)N(C)C Blood-Brain Barrier Penetration:

C1=CC=CC=C1C2OC(=NC2=O)N(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): c1c(nc2n1cccc2)CCN Blood-Brain Barrier Penetration:

c1c(nc2n1cccc2)CCN

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): COC1C(O)CC(=O)OC(C)C\C=C\C=C\C(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C Blood-Brain Barrier Penetration:

COC1C(O)CC(=O)OC(C)C\C=C\C=C\C(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 Blood-Brain Barrier Penetration:

CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC3=C1C(C2=C(C=CC=C2)C3(C)C)=CCCNC Blood-Brain Barrier Penetration:

C1=CC=CC3=C1C(C2=C(C=CC=C2)C3(C)C)=CCCNC

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(NC(C(Cl)(Cl)Cl)=O)C=CC(=C1)O Blood-Brain Barrier Penetration:

C1=C(NC(C(Cl)(Cl)Cl)=O)C=CC(=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): NC(N)=NCCN1CCCCCCC1 Blood-Brain Barrier Penetration:

NC(N)=NCCN1CCCCCCC1

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): NC(N)=O Blood-Brain Barrier Penetration:

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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C4=C(CCNC(C12CC3CC(C1)CC(C2)C3)=O)C=CC(=C4O)O Blood-Brain Barrier Penetration:

C4=C(CCNC(C12CC3CC(C1)CC(C2)C3)=O)C=CC(=C4O)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Clc1ccc2n3cnnc3CN=C(c4ccccc4)c2c1 Blood-Brain Barrier Penetration:

Clc1ccc2n3cnnc3CN=C(c4ccccc4)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(O)=O)nn1 Blood-Brain Barrier Penetration:

Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(O)=O)nn1

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35 Blood-Brain Barrier Penetration:

CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): FC(F)(F)COC=C Blood-Brain Barrier Penetration:

FC(F)(F)COC=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC=CC=C1CNC(CCCl)=O Blood-Brain Barrier Penetration:

C1=CC=CC=C1CNC(CCCl)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.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(CC)=O)C(CCl)=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(CC)=O)C(CCl)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): ClCCNC(=O)N(CCCl)N=O Blood-Brain Barrier Penetration:

ClCCNC(=O)N(CCCl)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CNC1(CCCCC1=O)c2ccccc2Cl Blood-Brain Barrier Penetration:

CNC1(CCCCC1=O)c2ccccc2Cl

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1cccc(C)c1 Blood-Brain Barrier Penetration:

Cc1cccc(C)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): Cc1ncc2C(O)N=C(c3ccccc3F)c4cc(Cl)ccc4n12 Blood-Brain Barrier Penetration:

Cc1ncc2C(O)N=C(c3ccccc3F)c4cc(Cl)ccc4n12

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C(C1(C(NC(=O)NC1=O)=O)CC=C)C(=C)Br Blood-Brain Barrier Penetration:

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

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C(C2C1C(NC(N1)=O)CS2)CCCC(O)=O Blood-Brain Barrier Penetration:

C(C2C1C(NC(N1)=O)CS2)CCCC(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(C(F)(F)F)C=CC=C1C2=CCN(CC2)CCC4=CC3=CC=CC=C3C=C4 Blood-Brain Barrier Penetration:

C1=C(C(F)(F)F)C=CC=C1C2=CCN(CC2)CCC4=CC3=CC=CC=C3C=C4

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CN(C)CC\C=C/1c2ccccc2Sc3ccc(Cl)cc13 Blood-Brain Barrier Penetration:

CN(C)CC\C=C/1c2ccccc2Sc3ccc(Cl)cc13

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(O)=O Blood-Brain Barrier Penetration:

CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(Cl)C=CC2=C1C(=NCC(N2CC(CO)O)=O)C3=CC=CC=C3F Blood-Brain Barrier Penetration:

C1=C(Cl)C=CC2=C1C(=NCC(N2CC(CO)O)=O)C3=CC=CC=C3F

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@H](C1=CC(=CC=C1)OC(N(CC)C)=O)(N(C)C)C Blood-Brain Barrier Penetration:

[C@H](C1=CC(=CC=C1)OC(N(CC)C)=O)(N(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C(C=CC=C1N2CCN(CCNC(N)=O)CC2)C(F)(F)F Blood-Brain Barrier Penetration:

C1=C(C=CC=C1N2CCN(CCNC(N)=O)CC2)C(F)(F)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O Blood-Brain Barrier Penetration:

CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): NC(=O)OCC1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1[S](O)(=O)=O Blood-Brain Barrier Penetration:

NC(=O)OCC1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1[S](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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C5=C4C3=C(C2N(CC1CC(OC)C(C(C1C2)C(OC)=O)OC)CC3)[NH]C4=CC(=C5)OC Blood-Brain Barrier Penetration:

C5=C4C3=C(C2N(CC1CC(OC)C(C(C1C2)C(OC)=O)OC)CC3)[NH]C4=CC(=C5)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC4CC3C2CC(F)(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=O Blood-Brain Barrier Penetration:

CC4CC3C2CC(F)(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@]24(F)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C3C(C([C@@H](C3)C)C(=O)CO)(CC4O)C)C Blood-Brain Barrier Penetration:

[C@@]24(F)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C3C(C([C@@H](C3)C)C(=O)CO)(CC4O)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=CC(=CC3=C1N(C2=NC(=O)CO2)CCN=C3C4=CC=CC=C4Cl)Cl Blood-Brain Barrier Penetration:

C1=CC(=CC3=C1N(C2=NC(=O)CO2)CCN=C3C4=CC=CC=C4Cl)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC(C)=O Blood-Brain Barrier Penetration:

CCC(C)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)c1ccccc1 Blood-Brain Barrier Penetration:

C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O Blood-Brain Barrier Penetration:

C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O Blood-Brain Barrier Penetration:

CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC(C)CC Blood-Brain Barrier Penetration:

CCC(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C2=C(N1C(SCC1)=N)C(=CC(=C2)Cl)N Blood-Brain Barrier Penetration:

C2=C(N1C(SCC1)=N)C(=CC(=C2)Cl)N

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): [C@@H]34C1=CC=CC2=C1C(=C[N]2C)C[C@H]3N(C[C@H](C4)N[S](N(C)C)(=O)=O)C Blood-Brain Barrier Penetration:

[C@@H]34C1=CC=CC2=C1C(=C[N]2C)C[C@H]3N(C[C@H](C4)N[S](N(C)C)(=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C2=C1C(=NSC1=CC=C2)N5CCN(CCCCN3C(CC4(CC3=O)CCCC4)=O)CC5 Blood-Brain Barrier Penetration:

C2=C1C(=NSC1=CC=C2)N5CCN(CCCCN3C(CC4(CC3=O)CCCC4)=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC1(CCC(C)C)C(=O)NC(=O)NC1=O Blood-Brain Barrier Penetration:

CCC1(CCC(C)C)C(=O)NC(=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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C Blood-Brain Barrier Penetration:

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc3[nH]cnc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC Blood-Brain Barrier Penetration:

CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc3[nH]cnc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C1=C4C(=CC=C1CN3CCC(NC(NC(C2=CC=CC=C2)=O)=O)CC3)C=CC=C4 Blood-Brain Barrier Penetration:

C1=C4C(=CC=C1CN3CCC(NC(NC(C2=CC=CC=C2)=O)=O)CC3)C=CC=C4

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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). Additionally, you are given with an image that you need to consider in your analysis. That will help you with your stereochemical understanding.Target Molecule (Smiles): C(C)CCC(=O)OC3(CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C)C(=O)CO Blood-Brain Barrier Penetration:

C(C)CCC(=O)OC3(CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C)C(=O)CO

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smiles

Datasets:

molvision
/

BBBP-V-SMILES-0

BBBP-V-SMILES Train Dataset

Dataset Description

Features

Dataset Statistics

Usage

Data Fields

Citation