Question stringlengths 718 2.12k | Answer stringclasses 2
values | TargetMolecule stringlengths 8 284 | SampleMethod stringclasses 1
value | SampleNum int64 4 4 | SampleRep stringclasses 1
value | image imagewidth (px) 300 300 |
|---|---|---|---|---|---|---|
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)[O-])c5nc6ccccc6n5C)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1cc(ccc1O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCC(C)CCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC[NH3+])C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC[NH3+])CC(C)C)CC(C)C)CC[NH3+])CC[NH3+])[C@@H](C)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)Cc2ccc(cc2)O)[NH3+])C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccc(cc1)CSCC2=NS(=O)(=O)c3cc(c(cc3N2)Cl)S(=O)(=O)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(C)[NH2+]CC(COc1ccc(cc1)COCCOC(C)C)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>No</boolean> | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCCCCCCCCCCCCCCCCCCCO | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C(=C/C(=O)[O-])\C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)[O-])O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(C)CC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4c3cccc4)NC(=O)C(Cc5cnc[nH]5)NC(=O)C6CCC(=O)N6 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccc(cc1)CC(=O)NC(=O)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1c[nH]nc1 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[NH+]1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C)C)C)OC | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>No</boolean> | CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[C@@H]([C@H](c1ccccc1)O)[NH2+]C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(COc1ccccc1)[NH+](CCCl)Cc2ccccc2 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCC[C@@H]1C[C@H]([NH+](C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccc(cc1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H]([NH2+]C3)C(=O)N(C)C)C(=O)[O-])[C@@H](C)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>No</boolean> | CC1(C(=C)N(C2=CC=CC=C21)CCCCCC(=O)O)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccccc4)O)SC2)C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCC[C@H](CC[C@H]1[C@@H]2Cc3cccc(c3C[C@@H]2C[C@@H]1O)OCC(=O)[O-])O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1cnc(cn1)C(=O)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COP(=O)([O-])[O-])O)C)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[NH+](C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | COc1ccccc1OCC(CO)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/c3csc(n3)N)COC | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCC(=O)OC(C(C)C)OP(=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@H]2C(=O)[O-])C3CCCCC3 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[NH+]1CCN(CC1)C(c2ccccc2)c3ccccc3 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccnc(c1)[N-]S(=O)(=O)c2ccc(cc2)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)C(F)(F)F | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCC(=O)Nc1c(cc(c(c1I)CC(CC)C(=O)[O-])I)I | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccc(cc1)C(=O)NCC(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccc(cc1)COc2ccc(cc2)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1cc(ccc1CSC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCOC(=O)C1(CC[NH+](CC1)CCc2ccc(cc2)N)c3ccccc3 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCC[NH+]1CCCC[C@H]1C(=O)Nc2c(cccc2C)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C1CCCN(CCC1)CC[NH+]=C(N)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCCCCCCCCCCCCCO | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@@H]([C@@H]([C@@H](CO)O)O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[n-]nnn3)[C@@H](C(C)C)C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1nnc(s1)[N-]S(=O)(=O)c2ccc(cc2)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1ccccc1N2C(Nc3cc(c(cc3C2=O)S(=O)(=O)N)Cl)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[NH+](C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)c4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1[O-])C(=O)N)O)[O-])[O-])O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | 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 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C)C)C)OC | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1cc(c(cc1[C@H](C[NH3+])O)O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCC1(CC(=O)NC1=O)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)[NH3+] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC[NH+](CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1ccnc(n1)[N-]S(=O)(=O)c2ccc(cc2)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)[NH3+] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1cc(ccc1CCc2c[nH]c3c2c(=O)nc([nH]3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCC[NH+](CC)C(CC)C(=O)Nc1c(cccc1C)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cl[Mn]Cl | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC2CC3C(C(CC(O3)(CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC(C(C=CC=CC=CC=CC=CC=CC=C2)C)C(C)CC(C)C(CC(=O)c4ccc(cc4)N)O)O)O)O)O)O)C(=O)[O-])O)[NH3+])O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC[C@@H]1/C=C(\\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)/C)O)C)OC)OC)C)/C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(C)[NH2+]CC(c1ccc(c(c1)O)O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1c(c(=O)n2c(n1)CCCC2)CC[NH+]3CCC(CC3)c4c5ccc(cc5on4)F | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C[NH2+]C4 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCc1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)[N-]C(=O)S3 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC1=C(C(C(=C(N1)C)C(=O)OCC[NH+](C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)[NH3+] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cc1c(c(c(cn1)COP(=O)([O-])[O-])C[NH+](CCN(Cc2c(cnc(c2O)C)COP(=O)([O-])[O-])CC(=O)[O-])CC(=O)[O-])O | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | Cn1c2ccccc2c(n1)C(=O)NC3CC4CCCC(C3)[NH+]4C | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)[O-] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>No</boolean> | C1CCN(CC1)C(=O)C2=CC3=NON=C3C=C2 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccc(cc1)[C@H]2c3ccccc3CCN2C(=O)O[C@H]4C[NH+]5CCC4CC5 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccc(cc1)CC2=[NH+]CCN2 | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C[C@](Cc1ccc(c(c1)O)O)(C(=O)[O-])[NH3+] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | C=CC(CCC(=O)[O-])[NH3+] | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(C)COC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc3ccccc3)C(=O)N | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | c1ccc(cc1)CCNN | scaffold | 4 | smiles | |
You are an expert chemist, your task is to predict the 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 mol... | <boolean>Yes</boolean> | CC(=O)Nc1ccc(cc1)O | scaffold | 4 | smiles |
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