| {"input": "CCCCNC(=O)N1C(NC(=O)OC)=NC2=CC=CC=C21", "output": "-4.883", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CCC1(C2=CC=CC=C2)CCC(=O)NC1=O", "output": "-2.3369999999999997", "task": "property_prediction-esol", "split": "test"} |
| {"input": "OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O", "output": "-0.244", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC12CCC3C(=CCC4=CC(O)=CC=C43)C1CCC2=O", "output": "-5.282", "task": "property_prediction-esol", "split": "test"} |
| {"input": "ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl", "output": "-7.278", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CCOC(=O)C1=CC=CC=C1S(=O)(=O)NN(C=O)C1=NC(Cl)=CC(OC)=N1", "output": "-4.5760000000000005", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(OC(F)F)C=C1", "output": "-6.876", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=CNC(N1C=CN(C(NC=O)C(Cl)(Cl)Cl)C=C1)C(Cl)(Cl)Cl", "output": "-4.19", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21", "output": "-6.726", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC2=CC=C3C=CC4=CC=C5C=CC=C6C(=C1)C2=C3C4=C56", "output": "-9.017999999999999", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=C(C(=O)NC2=CC=CC=C2)C=CO1", "output": "-3.3", "task": "property_prediction-esol", "split": "test"} |
| {"input": "COC1=CC2=C(N)N=C(N3CCN(C(=O)OCC(C)(C)O)CC3)N=C2C(OC)=C1OC", "output": "-3.638", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CN1CC(O)N(C2=NN=C(C(C)(C)C)S2)C1=O", "output": "-1.8769999999999998", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CCC=CC1", "output": "-2.06", "task": "property_prediction-esol", "split": "test"} |
| {"input": "ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl", "output": "-6.307", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC2=CC=CC3=CC=CC1=C23", "output": "-3.96", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C(=C1)C=NC1=CC=CC=C12", "output": "-2.78", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C=CC1(C)OC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1=O", "output": "-4.925", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C2(CCCCC2)C(=O)N1", "output": "-3.06", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1CC(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12", "output": "-3.62", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=CC2=C(C=C1C)N(CC(O)C(O)C(O)CO)C1=NC(=O)NC(=O)C1=N2", "output": "-3.685", "task": "property_prediction-esol", "split": "test"} |
| {"input": "OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O", "output": "-1.84", "task": "property_prediction-esol", "split": "test"} |
| {"input": "ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl", "output": "-6.29", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1C2=CC=CC=C2CC2=CC=CC=C2N1CCF", "output": "-4.7989999999999995", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC=NC2=C1NC=N2", "output": "-2.296", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=C(C(=O)NC2=CC=CC=C2)S(=O)(=O)CCO1", "output": "-2.281", "task": "property_prediction-esol", "split": "test"} |
| {"input": "NC(=O)C1=CN=CC=N1", "output": "-0.667", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O", "output": "-5.41", "task": "property_prediction-esol", "split": "test"} |
| {"input": "COC1=C2OC=CC2=CC2=C1OC(=O)C=C2", "output": "-3.6639999999999997", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC(C)C(NC1=CC=C(C(F)(F)F)C=C1Cl)C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1", "output": "-8.003", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1", "output": "-3.61", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C3=C(C=CC2=C1)C1=CC=CC2=C1C3=CC=C2", "output": "-8.0", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2NCCC2=C1", "output": "-1.04", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC2=C(CCC2)C(=O)N1C1CCCCC1", "output": "-4.593999999999999", "task": "property_prediction-esol", "split": "test"} |
| {"input": "OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F", "output": "-1.8", "task": "property_prediction-esol", "split": "test"} |
| {"input": "NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1", "output": "-2.404", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=C2C=CC=CC2=C(C)C2=C1C=CC1=CC=CC=C12", "output": "-7.02", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=CC=CC=C1N1C(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NC1C", "output": "-3.78", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O", "output": "-4.743", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12", "output": "-5.19", "task": "property_prediction-esol", "split": "test"} |
| {"input": "N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1=CC=CC=C1", "output": "-0.77", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1CSC(=S)N1", "output": "-1.77", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1CCC(=O)N1", "output": "0.3", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C(C2CO2)C=C1", "output": "-1.6", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C=C3C(=CC2=C1)C1=CC=CC2=C1C3=CC=C2", "output": "-8.49", "task": "property_prediction-esol", "split": "test"} |
| {"input": "ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1", "output": "-6.9", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=CC(C(=O)NNCC2=CC=CC=C2)=NO1", "output": "-2.461", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2NN=CC2=C1", "output": "-2.16", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13", "output": "-8.23", "task": "property_prediction-esol", "split": "test"} |
| {"input": "COC1=CC(=O)CC(C)C12OC1=C(Cl)C(OC)=CC(OC)=C1C2=O", "output": "-3.2460000000000004", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2CCCC2=C1", "output": "-3.04", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1CCCN1", "output": "1.07", "task": "property_prediction-esol", "split": "test"} |
| {"input": "COC(=O)NC1=NC2=CC=C(C(=O)C3=CC=CC=C3)C=C2N1", "output": "-3.88", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1C(O)=C(C2CCC(C3=CC=C(Cl)C=C3)CC2)C(=O)C2=CC=CC=C12", "output": "-5.931", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O", "output": "-2.17", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1CCC2CCCCC2C1", "output": "-5.19", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C", "output": "-4.15", "task": "property_prediction-esol", "split": "test"} |
| {"input": "OC(CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=CC=C1F", "output": "-3.37", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1C(Cl)C(CCl)CN1C1=CC=CC(C(F)(F)F)=C1", "output": "-4.047", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C2(CCC2)C(=O)N1", "output": "-1.655", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC12CCC3=C(C=CC4=CC(O)=CC=C34)C1CCC2=O", "output": "-5.24", "task": "property_prediction-esol", "split": "test"} |
| {"input": "OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O", "output": "-0.41", "task": "property_prediction-esol", "split": "test"} |
| {"input": "ClC1=C(Cl)C(Cl)=C2N=CC=NC2=C1Cl", "output": "-5.43", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34", "output": "-8.699", "task": "property_prediction-esol", "split": "test"} |
| {"input": "OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl", "output": "-4.38", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CCCC1", "output": "-2.1", "task": "property_prediction-esol", "split": "test"} |
| {"input": "ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl", "output": "-6.8", "task": "property_prediction-esol", "split": "test"} |
| {"input": "OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O", "output": "0.79", "task": "property_prediction-esol", "split": "test"} |
| {"input": "COC(=O)C1=CC=CC=C1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O", "output": "-0.742", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2N=C(C3=CC=C4C=CC=CC4=N3)C=CC2=C1", "output": "-5.4", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12", "output": "-4.173", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1CO1", "output": "-0.59", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC12CC1(C)C(=O)N(C1=CC(Cl)=CC(Cl)=C1)C2=O", "output": "-4.8", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O", "output": "-3.48", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C(C=CC=CC1=CC=C2OCOC2=C1)N1CCCCC1", "output": "-3.46", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2OC=NC2=C1", "output": "-1.16", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CCN1C2=CC=CC=C2C(=O)N(C)C2=CC=CC=C21", "output": "-4.749", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1OC(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)C2=CC=CC=C12", "output": "-2.9", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1COC2CC3(C)C(CC4C5C=C6CC(O)CCC6(C)CC5CCC43C)OC2C1", "output": "-7.32", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C(=O)N1", "output": "-0.4", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1OC2=CC=CC=C2C(O)=C1C(CC(O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C1=CC=CC=C1", "output": "-4.445", "task": "property_prediction-esol", "split": "test"} |
| {"input": "NS(=O)(=O)C1=CC2=C(C=C1Cl)N=CNS2(=O)=O", "output": "-3.05", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=CC(=O)NC(=S)N1", "output": "-2.436", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CNC(=O)OC1=CC=CC=C1C1OCCO1", "output": "-1.57", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C(C1=CC=CC=C1)C1=CC=CC=C1", "output": "-3.12", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CN(C(=O)NC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1", "output": "-3.35", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=CC=CC=C1N1C(C)=NC2=CC=CC=C2C1=O", "output": "-2.925", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C2(CCCC2)C(=O)N1", "output": "-2.349", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CCCCCC1", "output": "-3.18", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C(=C1)SC1=CC=CC=C12", "output": "-4.38", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C2=C(N1)NC(=O)N2", "output": "-3.93", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC12CCC3C4=CC=C(O)C=C4CCC3C1CCC2=O", "output": "-3.955", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C2C=CC=CC12", "output": "-2.932", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC=C(C(=CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1", "output": "-4.95", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1CC2=CC=CC=C2N1NC(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1", "output": "-3.5860000000000003", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C(=C1)C1=CC=CC3=C1C2=CC=C3", "output": "-6.0", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NCCN1C1=NC=C([N+](=O)[O-])S1", "output": "-3.22", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C(=O)C(=O)N1", "output": "-1.25", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C2(CCCCCC2)C(=O)N1", "output": "-3.168", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C(NC1=CC=CC=C1)NC1=CC=CC=C1", "output": "-3.15", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CCC1NC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N1", "output": "-3.29", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C1NC(=O)C2(CC2)C(=O)N1", "output": "-1.886", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CN(C(=O)COC1=NC2=CC=CC=C2S1)C1=CC=CC=C1", "output": "-4.873", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C(C2=CC=C(C3=CC=CC=C3)C=C2)C=C1", "output": "-7.11", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C(NC1=CC=CC=C1)N(CC1=CC=C(Cl)C=C1)C1CCCC1", "output": "-5.915", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C(=C1)OC1=CC=CC=C12", "output": "-4.6", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC1=C(C(=O)NC2=CC=CC=C2)CCCO1", "output": "-2.56", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CSC1=NN=C(C(C)(C)C)C(=O)N1N", "output": "-2.253", "task": "property_prediction-esol", "split": "test"} |
| {"input": "C1=CC=C2C=NC=CC2=C1", "output": "-1.45", "task": "property_prediction-esol", "split": "test"} |
| {"input": "O=C(CN1C=CN=C1[N+](=O)[O-])NCC1=CC=CC=C1", "output": "-2.81", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CCOC1=CC=C(C(C)(C)COCC2=CC=CC(OC3=CC=CC=C3)=C2)C=C1", "output": "-8.6", "task": "property_prediction-esol", "split": "test"} |
| {"input": "CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O", "output": "-3.69", "task": "property_prediction-esol", "split": "test"} |
|
|
