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

Question stringlengths 713 1.05k	Answer stringclasses 2 values	TargetMolecule stringlengths 3 339	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 would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)[O-] Clinical Trial Toxicity:	<boolean>Yes	CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[NH+]5CCOCC5)C)C)[N+]6(CCCC6)CC=C Clinical Trial Toxicity:	<boolean>Yes	CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[NH+]5CCOCC5)C)C)[N+]6(CCCC6)CC=C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(oc1)CNc2cc(c(cc2C(=O)[O-])S(=O)(=O)N)Cl Clinical Trial Toxicity:	<boolean>Yes	c1cc(oc1)CNc2cc(c(cc2C(=O)[O-])S(=O)(=O)N)Cl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC Clinical Trial Toxicity:	<boolean>Yes	CC(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C Clinical Trial Toxicity:	<boolean>Yes	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccnc(c1)[N-]S(=O)(=O)c2ccc(cc2)N Clinical Trial Toxicity:	<boolean>Yes	c1ccnc(c1)[N-]S(=O)(=O)c2ccc(cc2)N	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COc1c2c(ccc(=O)o2)cc3c1occ3 Clinical Trial Toxicity:	<boolean>Yes	COc1c2c(ccc(=O)o2)cc3c1occ3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCC(F)(F)F Clinical Trial Toxicity:	<boolean>Yes	Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCC(F)(F)F	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCC(CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N Clinical Trial Toxicity:	<boolean>Yes	CCCCC(CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N Clinical Trial Toxicity:	<boolean>Yes	c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C Clinical Trial Toxicity:	<boolean>Yes	C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C Clinical Trial Toxicity:	<boolean>Yes	CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)[O-])C(=O)[O-])C Clinical Trial Toxicity:	<boolean>Yes	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)[O-])C(=O)[O-])C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)C[NH+](C)C)O)O Clinical Trial Toxicity:	<boolean>Yes	CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)C[NH+](C)C)O)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC#CCn1c2c(nc1N3CCC[C@H](C3)[NH3+])n(c(=O)n(c2=O)Cc4nc(c5ccccc5n4)C)C Clinical Trial Toxicity:	<boolean>Yes	CC#CCn1c2c(nc1N3CCC[C@H](C3)[NH3+])n(c(=O)n(c2=O)Cc4nc(c5ccccc5n4)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COc1c2c(cc(c1N3C[C@@H]4CCC[NH2+][C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)[O-] Clinical Trial Toxicity:	<boolean>Yes	COc1c2c(cc(c1N3C[C@@H]4CCC[NH2+][C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O Clinical Trial Toxicity:	<boolean>Yes	CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C Clinical Trial Toxicity:	<boolean>Yes	CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC[NH+](CC)C(CC)C(=O)Nc1c(cccc1C)C Clinical Trial Toxicity:	<boolean>Yes	CCC[NH+](CC)C(CC)C(=O)Nc1c(cccc1C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[NH+]4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C Clinical Trial Toxicity:	<boolean>Yes	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[NH+]4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)[NH2+]CC1CCc2cc(c(cc2N1)[N+](=O)[O-])CO Clinical Trial Toxicity:	<boolean>Yes	CC(C)[NH2+]CC1CCc2cc(c(cc2N1)[N+](=O)[O-])CO	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)[NH3+])C(=O)[O-])C Clinical Trial Toxicity:	<boolean>Yes	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)[NH3+])C(=O)[O-])C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C Clinical Trial Toxicity:	<boolean>Yes	CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl Clinical Trial Toxicity:	<boolean>Yes	CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N Clinical Trial Toxicity:	<boolean>Yes	c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc(cc1)OC(=O)c2ccc(cc2O)N Clinical Trial Toxicity:	<boolean>Yes	c1ccc(cc1)OC(=O)c2ccc(cc2O)N	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[n-]nnn3)[C@@H](C(C)C)C(=O)[O-] Clinical Trial Toxicity:	<boolean>Yes	CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[n-]nnn3)[C@@H](C(C)C)C(=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(c(c(c1)Cl)Cl)N2CC[NH+](CC2)CCCCOc3ccc4c(c3)NC(=O)CC4 Clinical Trial Toxicity:	<boolean>Yes	c1cc(c(c(c1)Cl)Cl)N2CC[NH+](CC2)CCCCOc3ccc4c(c3)NC(=O)CC4	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl Clinical Trial Toxicity:	No</boolean>	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOC(=O)Nc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC[NH+]4CCOCC4 Clinical Trial Toxicity:	<boolean>Yes	CCOC(=O)Nc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC[NH+]4CCOCC4	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 Clinical Trial Toxicity:	<boolean>Yes	CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(Cc1ccc(cc1)OC)[NH2+]CC(c2ccc(c(c2)NC=O)O)O Clinical Trial Toxicity:	<boolean>Yes	CC(Cc1ccc(cc1)OC)[NH2+]CC(c2ccc(c(c2)NC=O)O)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)[NH2+]C[C@@H](COc1ccc(cc1)CCOCC2CC2)O Clinical Trial Toxicity:	<boolean>Yes	CC(C)[NH2+]C[C@@H](COc1ccc(cc1)CCOCC2CC2)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O Clinical Trial Toxicity:	<boolean>Yes	CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c3c1cccc3)C4c5ccccc5-c6c4cccc6 Clinical Trial Toxicity:	<boolean>Yes	C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c3c1cccc3)C4c5ccccc5-c6c4cccc6	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COCCO Clinical Trial Toxicity:	<boolean>Yes	COCCO	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO Clinical Trial Toxicity:	<boolean>Yes	CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)C[NH+](C)C)O)O Clinical Trial Toxicity:	<boolean>Yes	CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)C[NH+](C)C)O)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1CC2(C1)C(=O)O[Pt]OC2=O Clinical Trial Toxicity:	<boolean>Yes	C1CC2(C1)C(=O)O[Pt]OC2=O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1CNCC[NH2+]1 Clinical Trial Toxicity:	<boolean>Yes	C1CNCC[NH2+]1	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 Clinical Trial Toxicity:	<boolean>Yes	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCN4CC[NH+](CC4)CCO Clinical Trial Toxicity:	<boolean>Yes	c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCN4CC[NH+](CC4)CCO	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(ccc1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-] Clinical Trial Toxicity:	<boolean>Yes	c1cc(ccc1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1c(c(c(c(c1C(=O)[O-])I)NC(=O)C)I)C(=O)NC Clinical Trial Toxicity:	<boolean>Yes	Cc1c(c(c(c(c1C(=O)[O-])I)NC(=O)C)I)C(=O)NC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C Clinical Trial Toxicity:	<boolean>Yes	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[NH+]1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)S(=O)C Clinical Trial Toxicity:	<boolean>Yes	C[NH+]1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)S(=O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C[NH3+])O)O)[NH3+])O)O)[NH3+] Clinical Trial Toxicity:	<boolean>Yes	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C[NH3+])O)O)[NH3+])O)O)[NH3+]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C Clinical Trial Toxicity:	<boolean>Yes	CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br Clinical Trial Toxicity:	No</boolean>	C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCc1[nH+]cc(n1Cc2ccc(cc2)C(=O)[O-])/C=C(\Cc3cccs3)/C(=O)[O-] Clinical Trial Toxicity:	<boolean>Yes	CCCCc1[nH+]cc(n1Cc2ccc(cc2)C(=O)[O-])/C=C(\Cc3cccs3)/C(=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)[NH+](C)C Clinical Trial Toxicity:	<boolean>Yes	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)[NH+](C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCC[NH+](CCCC)CCCC Clinical Trial Toxicity:	<boolean>Yes	CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCC[NH+](CCCC)CCCC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C Clinical Trial Toxicity:	<boolean>Yes	C[C@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1ccc(cc1)S(=O)(=O)[N-]C(=O)N[NH+]2CCCCCC2 Clinical Trial Toxicity:	<boolean>Yes	Cc1ccc(cc1)S(=O)(=O)[N-]C(=O)N[NH+]2CCCCCC2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)[O-])C(=O)NCc3ccc(cc3)F Clinical Trial Toxicity:	<boolean>Yes	Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)[O-])C(=O)NCc3ccc(cc3)F	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOCCn1c2ccccc2nc1N3CCC[NH+](CC3)C Clinical Trial Toxicity:	<boolean>Yes	CCOCCn1c2ccccc2nc1N3CCC[NH+](CC3)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O Clinical Trial Toxicity:	<boolean>Yes	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 Clinical Trial Toxicity:	<boolean>Yes	c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=O)CC3)(C)C)O Clinical Trial Toxicity:	<boolean>Yes	CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=O)CC3)(C)C)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C Clinical Trial Toxicity:	<boolean>Yes	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOC(=O)c1cncn1C(C)c2ccccc2 Clinical Trial Toxicity:	<boolean>Yes	CCOC(=O)c1cncn1C(C)c2ccccc2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO Clinical Trial Toxicity:	<boolean>Yes	CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC[NH2+]C(C)C(=O)Nc1ccccc1C Clinical Trial Toxicity:	<boolean>Yes	CCC[NH2+]C(C)C(=O)Nc1ccccc1C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=[NH2+])N Clinical Trial Toxicity:	<boolean>Yes	c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=[NH2+])N	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COc1ccc2c(c1)[nH]c3c2CC[NH+]4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC Clinical Trial Toxicity:	<boolean>Yes	COc1ccc2c(c1)[nH]c3c2CC[NH+]4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(oc1/C=N/N2CC(=O)NC2=O)[N+](=O)[O-] Clinical Trial Toxicity:	<boolean>Yes	c1cc(oc1/C=N/N2CC(=O)NC2=O)[N+](=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[n+]1cccc(c1)OC(=O)N(C)C Clinical Trial Toxicity:	<boolean>Yes	C[n+]1cccc(c1)OC(=O)N(C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH2+]C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C Clinical Trial Toxicity:	<boolean>Yes	C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH2+]C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)[NH+]7CCCCC7 Clinical Trial Toxicity:	<boolean>Yes	CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)[NH+]7CCCCC7	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C(C[NH3+])C(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] Clinical Trial Toxicity:	<boolean>Yes	C(C[NH3+])C(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)[O-])SCCS3 Clinical Trial Toxicity:	<boolean>Yes	CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)[O-])SCCS3	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O Clinical Trial Toxicity:	<boolean>Yes	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C Clinical Trial Toxicity:	<boolean>Yes	C[C@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)O)Cl Clinical Trial Toxicity:	<boolean>Yes	c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)O)Cl	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F Clinical Trial Toxicity:	<boolean>Yes	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)[C@@H](C(=O)OCC(CO)OCn1cnc2c1[nH]c(nc2=O)N)[NH3+] Clinical Trial Toxicity:	<boolean>Yes	CC(C)[C@@H](C(=O)OCC(CO)OCn1cnc2c1[nH]c(nc2=O)N)[NH3+]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)[O-])\C)/C Clinical Trial Toxicity:	<boolean>Yes	CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)[O-])\C)/C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1(C(=O)N(C(=O)N1)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])C Clinical Trial Toxicity:	<boolean>Yes	CC1(C(=O)N(C(=O)N1)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O Clinical Trial Toxicity:	No</boolean>	CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@@H]([NH2+]CC(C[NH2+][C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C Clinical Trial Toxicity:	<boolean>Yes	C[C@@H]([NH2+]CC(C[NH2+][C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc(cc1)C(CC[NH+]2CCCCC2)(C3CCCCC3)O Clinical Trial Toxicity:	<boolean>Yes	c1ccc(cc1)C(CC[NH+]2CCCCC2)(C3CCCCC3)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nnnn5C)C(=O)[O-] Clinical Trial Toxicity:	<boolean>Yes	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nnnn5C)C(=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H]([NH2+]C3)CNS(=O)(=O)N)C(=O)[O-])[C@@H](C)O Clinical Trial Toxicity:	<boolean>Yes	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H]([NH2+]C3)CNS(=O)(=O)N)C(=O)[O-])[C@@H](C)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COC(=O)c1ccccc1O Clinical Trial Toxicity:	<boolean>Yes	COC(=O)c1ccccc1O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CCCN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C Clinical Trial Toxicity:	<boolean>Yes	Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CCCN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCOc1ccc(cc1N)C(=O)OCC[NH+](CC)CC Clinical Trial Toxicity:	<boolean>Yes	CCCOc1ccc(cc1N)C(=O)OCC[NH+](CC)CC	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCOc1ccc(cc1)C(=O)CC[NH+]2CCCCC2 Clinical Trial Toxicity:	<boolean>Yes	CCCCOc1ccc(cc1)C(=O)CC[NH+]2CCCCC2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@](Cc1ccc(cc1)O)(C(=O)[O-])[NH3+] Clinical Trial Toxicity:	<boolean>Yes	C[C@](Cc1ccc(cc1)O)(C(=O)[O-])[NH3+]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C Clinical Trial Toxicity:	<boolean>Yes	CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O Clinical Trial Toxicity:	<boolean>Yes	C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)[O-])OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)[NH3+])O Clinical Trial Toxicity:	<boolean>Yes	C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)[O-])OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)[NH3+])O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)[NH+](C)C Clinical Trial Toxicity:	<boolean>Yes	CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)[NH+](C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C Clinical Trial Toxicity:	No</boolean>	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=[NH2+])N Clinical Trial Toxicity:	<boolean>Yes	c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=[NH2+])N	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc2c(c1)CC(N(C2)C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)C4C[C@H](CN4C(=O)C5CCCN5C(=O)C(CCC[NH+]=C(N)N)NC(=O)[C@@H](CCC[NH+]=C(N)N)[NH3+])O)C(=O)N6[C@H]7CCCC[C@H]7CC6C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-] Clinical Trial Toxicity:	<boolean>Yes	c1ccc2c(c1)CC(N(C2)C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)C4C[C@H](CN4C(=O)C5CCCN5C(=O)C(CCC[NH+]=C(N)N)NC(=O)[C@@H](CCC[NH+]=C(N)N)[NH3+])O)C(=O)N6[C@H]7CCCC[C@H]7CC6C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O Clinical Trial Toxicity:	No</boolean>	C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC[NH+]1CCCC[C@H]1C(=O)Nc2c(cccc2C)C Clinical Trial Toxicity:	<boolean>Yes	CCC[NH+]1CCCC[C@H]1C(=O)Nc2c(cccc2C)C	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1cc(no1)C(=O)NNCc2ccccc2 Clinical Trial Toxicity:	<boolean>Yes	Cc1cc(no1)C(=O)NNCc2ccccc2	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C(=O)([O-])P(=O)([O-])[O-] Clinical Trial Toxicity:	<boolean>Yes	C(=O)([O-])P(=O)([O-])[O-]	random	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(ccc1C(=O)NCC(=O)[O-])N Clinical Trial Toxicity:	<boolean>Yes	c1cc(ccc1C(=O)NCC(=O)[O-])N	random	smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)[O-] Clinical Trial Toxicity:

<boolean>Yes

CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[NH+]5CCOCC5)C)C)[N+]6(CCCC6)CC=C Clinical Trial Toxicity:

<boolean>Yes

CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[NH+]5CCOCC5)C)C)[N+]6(CCCC6)CC=C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(oc1)CNc2cc(c(cc2C(=O)[O-])S(=O)(=O)N)Cl Clinical Trial Toxicity:

<boolean>Yes

c1cc(oc1)CNc2cc(c(cc2C(=O)[O-])S(=O)(=O)N)Cl

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC Clinical Trial Toxicity:

<boolean>Yes

CC(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C Clinical Trial Toxicity:

<boolean>Yes

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccnc(c1)[N-]S(=O)(=O)c2ccc(cc2)N Clinical Trial Toxicity:

<boolean>Yes

c1ccnc(c1)[N-]S(=O)(=O)c2ccc(cc2)N

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COc1c2c(ccc(=O)o2)cc3c1occ3 Clinical Trial Toxicity:

<boolean>Yes

COc1c2c(ccc(=O)o2)cc3c1occ3

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCC(F)(F)F Clinical Trial Toxicity:

<boolean>Yes

Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCC(F)(F)F

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCC(CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N Clinical Trial Toxicity:

<boolean>Yes

CCCCC(CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N Clinical Trial Toxicity:

<boolean>Yes

c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C Clinical Trial Toxicity:

<boolean>Yes

C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C Clinical Trial Toxicity:

<boolean>Yes

CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)[O-])C(=O)[O-])C Clinical Trial Toxicity:

<boolean>Yes

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)[O-])C(=O)[O-])C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)C[NH+](C)C)O)O Clinical Trial Toxicity:

<boolean>Yes

CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)C[NH+](C)C)O)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC#CCn1c2c(nc1N3CCC[C@H](C3)[NH3+])n(c(=O)n(c2=O)Cc4nc(c5ccccc5n4)C)C Clinical Trial Toxicity:

<boolean>Yes

CC#CCn1c2c(nc1N3CCC[C@H](C3)[NH3+])n(c(=O)n(c2=O)Cc4nc(c5ccccc5n4)C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COc1c2c(cc(c1N3C[C@@H]4CCC[NH2+][C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)[O-] Clinical Trial Toxicity:

<boolean>Yes

COc1c2c(cc(c1N3C[C@@H]4CCC[NH2+][C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O Clinical Trial Toxicity:

<boolean>Yes

CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C Clinical Trial Toxicity:

<boolean>Yes

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

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC[NH+](CC)C(CC)C(=O)Nc1c(cccc1C)C Clinical Trial Toxicity:

<boolean>Yes

CCC[NH+](CC)C(CC)C(=O)Nc1c(cccc1C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[NH+]4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C Clinical Trial Toxicity:

<boolean>Yes

CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[NH+]4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)[NH2+]CC1CCc2cc(c(cc2N1)[N+](=O)[O-])CO Clinical Trial Toxicity:

<boolean>Yes

CC(C)[NH2+]CC1CCc2cc(c(cc2N1)[N+](=O)[O-])CO

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)[NH3+])C(=O)[O-])C Clinical Trial Toxicity:

<boolean>Yes

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)[NH3+])C(=O)[O-])C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C Clinical Trial Toxicity:

<boolean>Yes

CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl Clinical Trial Toxicity:

<boolean>Yes

CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N Clinical Trial Toxicity:

<boolean>Yes

c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc(cc1)OC(=O)c2ccc(cc2O)N Clinical Trial Toxicity:

<boolean>Yes

c1ccc(cc1)OC(=O)c2ccc(cc2O)N

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[n-]nnn3)[C@@H](C(C)C)C(=O)[O-] Clinical Trial Toxicity:

<boolean>Yes

CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[n-]nnn3)[C@@H](C(C)C)C(=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(c(c(c1)Cl)Cl)N2CC[NH+](CC2)CCCCOc3ccc4c(c3)NC(=O)CC4 Clinical Trial Toxicity:

<boolean>Yes

c1cc(c(c(c1)Cl)Cl)N2CC[NH+](CC2)CCCCOc3ccc4c(c3)NC(=O)CC4

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl Clinical Trial Toxicity:

No</boolean>

C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOC(=O)Nc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC[NH+]4CCOCC4 Clinical Trial Toxicity:

<boolean>Yes

CCOC(=O)Nc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC[NH+]4CCOCC4

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 Clinical Trial Toxicity:

<boolean>Yes

CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(Cc1ccc(cc1)OC)[NH2+]CC(c2ccc(c(c2)NC=O)O)O Clinical Trial Toxicity:

<boolean>Yes

CC(Cc1ccc(cc1)OC)[NH2+]CC(c2ccc(c(c2)NC=O)O)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)[NH2+]C[C@@H](COc1ccc(cc1)CCOCC2CC2)O Clinical Trial Toxicity:

<boolean>Yes

CC(C)[NH2+]C[C@@H](COc1ccc(cc1)CCOCC2CC2)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O Clinical Trial Toxicity:

<boolean>Yes

CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c3c1cccc3)C4c5ccccc5-c6c4cccc6 Clinical Trial Toxicity:

<boolean>Yes

C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c3c1cccc3)C4c5ccccc5-c6c4cccc6

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COCCO Clinical Trial Toxicity:

<boolean>Yes

COCCO

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO Clinical Trial Toxicity:

<boolean>Yes

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

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)C[NH+](C)C)O)O Clinical Trial Toxicity:

<boolean>Yes

CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)C[NH+](C)C)O)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1CC2(C1)C(=O)O[Pt]OC2=O Clinical Trial Toxicity:

<boolean>Yes

C1CC2(C1)C(=O)O[Pt]OC2=O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1CNCC[NH2+]1 Clinical Trial Toxicity:

<boolean>Yes

C1CNCC[NH2+]1

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 Clinical Trial Toxicity:

<boolean>Yes

CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCN4CC[NH+](CC4)CCO Clinical Trial Toxicity:

<boolean>Yes

c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCN4CC[NH+](CC4)CCO

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(ccc1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-] Clinical Trial Toxicity:

<boolean>Yes

c1cc(ccc1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1c(c(c(c(c1C(=O)[O-])I)NC(=O)C)I)C(=O)NC Clinical Trial Toxicity:

<boolean>Yes

Cc1c(c(c(c(c1C(=O)[O-])I)NC(=O)C)I)C(=O)NC

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C Clinical Trial Toxicity:

<boolean>Yes

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[NH+]1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)S(=O)C Clinical Trial Toxicity:

<boolean>Yes

C[NH+]1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)S(=O)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C[NH3+])O)O)[NH3+])O)O)[NH3+] Clinical Trial Toxicity:

<boolean>Yes

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C[NH3+])O)O)[NH3+])O)O)[NH3+]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C Clinical Trial Toxicity:

<boolean>Yes

CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br Clinical Trial Toxicity:

No</boolean>

C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCc1[nH+]cc(n1Cc2ccc(cc2)C(=O)[O-])/C=C(\Cc3cccs3)/C(=O)[O-] Clinical Trial Toxicity:

<boolean>Yes

CCCCc1[nH+]cc(n1Cc2ccc(cc2)C(=O)[O-])/C=C(\Cc3cccs3)/C(=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)[NH+](C)C Clinical Trial Toxicity:

<boolean>Yes

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)[NH+](C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCC[NH+](CCCC)CCCC Clinical Trial Toxicity:

<boolean>Yes

CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCC[NH+](CCCC)CCCC

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C Clinical Trial Toxicity:

<boolean>Yes

C[C@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1ccc(cc1)S(=O)(=O)[N-]C(=O)N[NH+]2CCCCCC2 Clinical Trial Toxicity:

<boolean>Yes

Cc1ccc(cc1)S(=O)(=O)[N-]C(=O)N[NH+]2CCCCCC2

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)[O-])C(=O)NCc3ccc(cc3)F Clinical Trial Toxicity:

<boolean>Yes

Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)[O-])C(=O)NCc3ccc(cc3)F

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOCCn1c2ccccc2nc1N3CCC[NH+](CC3)C Clinical Trial Toxicity:

<boolean>Yes

CCOCCn1c2ccccc2nc1N3CCC[NH+](CC3)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O Clinical Trial Toxicity:

<boolean>Yes

C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 Clinical Trial Toxicity:

<boolean>Yes

c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=O)CC3)(C)C)O Clinical Trial Toxicity:

<boolean>Yes

CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=O)CC3)(C)C)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C Clinical Trial Toxicity:

<boolean>Yes

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOC(=O)c1cncn1C(C)c2ccccc2 Clinical Trial Toxicity:

<boolean>Yes

CCOC(=O)c1cncn1C(C)c2ccccc2

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO Clinical Trial Toxicity:

<boolean>Yes

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

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC[NH2+]C(C)C(=O)Nc1ccccc1C Clinical Trial Toxicity:

<boolean>Yes

CCC[NH2+]C(C)C(=O)Nc1ccccc1C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=[NH2+])N Clinical Trial Toxicity:

<boolean>Yes

c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=[NH2+])N

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COc1ccc2c(c1)[nH]c3c2CC[NH+]4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC Clinical Trial Toxicity:

<boolean>Yes

COc1ccc2c(c1)[nH]c3c2CC[NH+]4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(oc1/C=N/N2CC(=O)NC2=O)[N+](=O)[O-] Clinical Trial Toxicity:

<boolean>Yes

c1cc(oc1/C=N/N2CC(=O)NC2=O)[N+](=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[n+]1cccc(c1)OC(=O)N(C)C Clinical Trial Toxicity:

<boolean>Yes

C[n+]1cccc(c1)OC(=O)N(C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH2+]C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C Clinical Trial Toxicity:

<boolean>Yes

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH2+]C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)[NH+]7CCCCC7 Clinical Trial Toxicity:

<boolean>Yes

CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)[NH+]7CCCCC7

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C(C[NH3+])C(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] Clinical Trial Toxicity:

<boolean>Yes

C(C[NH3+])C(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)[O-])SCCS3 Clinical Trial Toxicity:

<boolean>Yes

CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)[O-])SCCS3

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O Clinical Trial Toxicity:

<boolean>Yes

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C Clinical Trial Toxicity:

<boolean>Yes

C[C@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)O)Cl Clinical Trial Toxicity:

<boolean>Yes

c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)O)Cl

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F Clinical Trial Toxicity:

<boolean>Yes

Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)[C@@H](C(=O)OCC(CO)OCn1cnc2c1[nH]c(nc2=O)N)[NH3+] Clinical Trial Toxicity:

<boolean>Yes

CC(C)[C@@H](C(=O)OCC(CO)OCn1cnc2c1[nH]c(nc2=O)N)[NH3+]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)[O-])\C)/C Clinical Trial Toxicity:

<boolean>Yes

CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)[O-])\C)/C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1(C(=O)N(C(=O)N1)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])C Clinical Trial Toxicity:

<boolean>Yes

CC1(C(=O)N(C(=O)N1)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O Clinical Trial Toxicity:

No</boolean>

CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@@H]([NH2+]CC(C[NH2+][C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C Clinical Trial Toxicity:

<boolean>Yes

C[C@@H]([NH2+]CC(C[NH2+][C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc(cc1)C(CC[NH+]2CCCCC2)(C3CCCCC3)O Clinical Trial Toxicity:

<boolean>Yes

c1ccc(cc1)C(CC[NH+]2CCCCC2)(C3CCCCC3)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nnnn5C)C(=O)[O-] Clinical Trial Toxicity:

<boolean>Yes

CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nnnn5C)C(=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H]([NH2+]C3)CNS(=O)(=O)N)C(=O)[O-])[C@@H](C)O Clinical Trial Toxicity:

<boolean>Yes

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H]([NH2+]C3)CNS(=O)(=O)N)C(=O)[O-])[C@@H](C)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): COC(=O)c1ccccc1O Clinical Trial Toxicity:

<boolean>Yes

COC(=O)c1ccccc1O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CCCN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C Clinical Trial Toxicity:

<boolean>Yes

Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CCCN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCOc1ccc(cc1N)C(=O)OCC[NH+](CC)CC Clinical Trial Toxicity:

<boolean>Yes

CCCOc1ccc(cc1N)C(=O)OCC[NH+](CC)CC

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCCOc1ccc(cc1)C(=O)CC[NH+]2CCCCC2 Clinical Trial Toxicity:

<boolean>Yes

CCCCOc1ccc(cc1)C(=O)CC[NH+]2CCCCC2

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@](Cc1ccc(cc1)O)(C(=O)[O-])[NH3+] Clinical Trial Toxicity:

<boolean>Yes

C[C@](Cc1ccc(cc1)O)(C(=O)[O-])[NH3+]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C Clinical Trial Toxicity:

<boolean>Yes

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O Clinical Trial Toxicity:

<boolean>Yes

C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)[O-])OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)[NH3+])O Clinical Trial Toxicity:

<boolean>Yes

C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)[O-])OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)[NH3+])O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)[NH+](C)C Clinical Trial Toxicity:

<boolean>Yes

CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)[NH+](C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C Clinical Trial Toxicity:

No</boolean>

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=[NH2+])N Clinical Trial Toxicity:

<boolean>Yes

c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=[NH2+])N

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1ccc2c(c1)CC(N(C2)C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)C4C[C@H](CN4C(=O)C5CCCN5C(=O)C(CCC[NH+]=C(N)N)NC(=O)[C@@H](CCC[NH+]=C(N)N)[NH3+])O)C(=O)N6[C@H]7CCCC[C@H]7CC6C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-] Clinical Trial Toxicity:

<boolean>Yes

c1ccc2c(c1)CC(N(C2)C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)C4C[C@H](CN4C(=O)C5CCCN5C(=O)C(CCC[NH+]=C(N)N)NC(=O)[C@@H](CCC[NH+]=C(N)N)[NH3+])O)C(=O)N6[C@H]7CCCC[C@H]7CC6C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O Clinical Trial Toxicity:

No</boolean>

C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): CCC[NH+]1CCCC[C@H]1C(=O)Nc2c(cccc2C)C Clinical Trial Toxicity:

<boolean>Yes

CCC[NH+]1CCCC[C@H]1C(=O)Nc2c(cccc2C)C

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): Cc1cc(no1)C(=O)NNCc2ccccc2 Clinical Trial Toxicity:

<boolean>Yes

Cc1cc(no1)C(=O)NNCc2ccccc2

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): C(=O)([O-])P(=O)([O-])[O-] Clinical Trial Toxicity:

<boolean>Yes

C(=O)([O-])P(=O)([O-])[O-]

random

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Examples: Target Molecule (Smiles): c1cc(ccc1C(=O)NCC(=O)[O-])N Clinical Trial Toxicity:

<boolean>Yes

c1cc(ccc1C(=O)NCC(=O)[O-])N

random

0

smiles

Datasets:

molvision
/

Clintox-V-Train

Clintox-V-SMILES Train Dataset

Dataset Description

Features

Dataset Statistics

Usage

Data Fields

Citation