diff --git "a/property_prediction-hiv.jsonl" "b/property_prediction-hiv.jsonl"
new file mode 100644--- /dev/null
+++ "b/property_prediction-hiv.jsonl"
@@ -0,0 +1,4107 @@
+{"input": "CC1=NC2=NC(Cl)=CN2C(=O)C1(Cl)Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(COC2=NC3=CC(C45CC6CC(CC(C6)C4)C5)=CC=C3N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=NN=CN2C(O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=CC(=NNC(=S)NCC2=CC=CC=C2)C=C(C(C)(C)C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)OC(C2=CC=C(Cl)C=C2Cl)C2OC(=O)C3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC(=S)N(C2=CC=CC=C2)C12C=CC1=CC3=CC=CC=C3N=C1S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NC2=NC=NC3=C2N=C(SCC2=CC=CC=C2)S3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(O)C1(C(=O)OC)C2CCCCCCC(O)C1OC2OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=NC2=C(CCNC2C2=CC=C3OCOC3=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=CC=C(C2=NN3N=NN=C3C=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC(C)(C)NC(C(=O)N1CCCC1C1=NC(C2=NC(C(=O)OCC=C(C)C)=C(C)O2)=C(C)O1)C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1OC2CS(=O)(=O)CC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(C2=NCCN2)C=C1)C1=CC(C(=O)NC2=CC=C(C3=NCCN3)C=C2)=NC=N1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(C)(C)NC(=CC(=O)N2CC3=CC4=CC=CC=C4N=C3C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1CCC(C2C3=CC4=C(C=C3OC(N3CCOCC3)C2C)OCO4)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(C)C(=O)C2=C(C1=O)C(CO)N1C(C#N)C3CC4C(C1C2N1CCOC41)N3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC(C(=O)C1=CC=CO1)C1=CC=CS1)C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[S+]1C2=CC=CC=C2C2=CC=CC=C21;O=S(O)(=[OH+])C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=CC=CC=C2)C(=O)C1N=NC1=CC=C(S(=O)(=O)NC2=CC=CC=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(=C(CC)C1=CC=C(OCCCN2CCCCC2C)C=C1)C1=CC=C(OCCCN2CCCCC2C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCN1CCN(CCCNC(=O)C2=CN=C3C=CC=CC3=N2)CC1)C1=CN=C2C=CC=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(OC2=CC=CC=C2)NNP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)NN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(=O)C(O)=C(CC2(C)C(C)CCC3(C)C2CCCC3(C)C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=CC(C(=O)OC)=CN1C(=N)C1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=C(CN2C(C3=CC=C(O)C=C3)=NC3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-][N+]1=CC=CC=C1CCN(O)CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN2C(=C(C#N)C1=O)NC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2(C3=CC=C(Cl)C=C3)C3=CC=CC=C3C3=NCCN32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)CC1=CN3C(=NC4=CC=CC=C43)N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC(=CN(C)C)C(=S)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCN1C=CN=C1NCCCCCCNC1=NC=CN1CCCCCCCCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(COC(C=C1C=CC(=O)O1)COC(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OC1=CC=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C([PH]2(C3=CC=C(C)C=C3)CC[PH](C3=CC=CC=C3)(C3=CC=CC=C3)[Pt-2]23[PH](C2=CC=CC=C2)(C2=CC=CC=C2)CC[PH]3(C2=CC=C(C)C=C2)C2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1(C#N)OC12CCS(=O)(=O)C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C(=O)NCNC(=O)C1=CC=CC=C1)C(=O)NCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C1=C3C=C(O)C=CC3=NN=[N+]1CC2;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1)N1C=C(C2=CC=CC=N2)C(N2CCOCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC[N+]1(CC)CCC(=O)[Pd-2]12[O+]=C(C)CC(C)=[O+]2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1OC(C2=CC=CC=C2)=NS(=O)(=O)C1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C(Cl)C2=NN=NN2N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC2=C1CCC1=CC(C=O)=C(N)N=C12;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NC(C=CC2=CC=CC=C2)NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(C2=CC=CC=C2)OC2=C(C=CC3=C2C=CO3)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCC2(CO)SC(C3=CC=CC=C3)NC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(NC(C2=CC=CC=C2)C2=NC3=CC=CC=C3N2)C(C2=CC=CC=C2)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C2CCCCN2C(C(=O)NC2=CC=CC=C2)=C1NC(=O)CN1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N2CC=C3C(C4C=CC3N3C(=O)N(C)C(=O)N43)N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C(=CNC(=S)NCC1=CC=CC=C1)C(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC(OS(=O)(=O)C2=CC=C(C)C=C2)CN1C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=NSN=C2C(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=CC6=NSN=C56)N4)C4=NSN=C34)N2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1C2=CC=CC=C2C(=S)N2CC=CCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=[N+]2C3=CC=CC=C3[SH+][Co-4]234([O+]=C1C1=CC=CS1)[O+]=C(C1=CC=CS1)C=[N+]3C1=CC=CC=C1[SH+]4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(N)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NN=C2C=CC(Cl)=CC2=[N+]1[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1[OH+][Co-4]234([O+]=C(C5=CC=CS5)C=[N+]2C2=CC=CC=C12)[O+]=C(C1=CC=CS1)C=[N+]3C1=CC=CC=C1C(=O)[OH+]4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=C1CCCC(=CC2=CC=CC=C2)C1=NNC1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)N=NN2CN1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1C(=O)C2(NCCCN2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CCC(C2)C1C=C1SC(=S)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(O)C=CC=C2C(C(=O)CCCCC(=O)C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=CC=C32)C2=CC=CC(O)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2CCC3C4CC=C5CC(N(C)C)CCC5(C)C4CCC32CN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC(C2=CSC(C3=CSC=C3)=C2)=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=C(CC(=S)N3CCN(C4=CC=CC=C4)CC3)C=C2S1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CN1SSN1CC1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCNC1=NN=C(O)C2=C1N=NN2CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(CCC2=CC=C(Cl)C=C2)CC(Br)C(Br)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=C(SC1=CC=CC=C1)SC1=CC=CC=C1)C(SC1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C(=O)C(C(C)C)=C3OC(C)(C)C4=CC=C1C2=C34", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)OC1=NN(C(=O)OC)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C23CCC(=O)CC2N(C)CC3)C=C1OC;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1(C2=CC=CC=C2)CSC2=NC3=CC=CC=C3C3CCN1N23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1CC1=NC(C2=CC=CC=C2)=NN(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C2=CSC=C2)NC(=O)N1CCCl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;OC1CCCC2NCC(C3=CC=C4OCOC4=C3)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CC=CC=C1)N1OC12CCCCC2NC(=O)OC(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C(CC(=O)C2=CC=CC=C2)C2=CC=CC=C2)C(=O)C2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CN(S(=O)(=O)C2=CC=C(C)C=C2)CCCN(CC2CC2)CCCN(S(=O)(=O)C2=CC=C(C)C=C2)C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2(O)CC34CC(=O)OC3(CC(O)C4C)C1(C)CO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(C=C1Cl)SC(NNC(=O)C1=CC=CO1)=NS2(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(OC(C)=O)C(ON2N=NC3=C(C4=CC=CC=C4)C(C)=NN32)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=NN1C=C(C2=CC3=CC=CC=C3N2N=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CC(Cl)=CC=C1O)C1CCC([N+](=O)[O-])CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCNC1=NC2=CC=CC=C2N2C(=NN3N=C4C=CC=CC4=C23)N1CC", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCOC1=C(Br)C=C(C(O)CNC(C)=O)C=C1Br)=NO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)N1CCN(CCN1C(=O)C2=CC=CC=C2C1=O)CN1C=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C2CCCCN2C(C(=O)NC2=CC=CC=C2)=C1N=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCOC(=O)N(C)CC(OC(=O)C(C)(C)C)C1(C2=CC=C3OCOC3=C2)C=CC(=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C2CN3CCN(C2)CC1(C1=CC=CC=C1)C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=CSC3=[N+]2CCN3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=CC3=C(C=C2S1)C(=O)C1=CC=CC=C1N3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(Cl)C=C(CC2=CC(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)C3=CC(CC4=CC(Cl)=C(OC)C(C(=O)O)=C4)=C(OC)C(C(=O)O)=C3)=CC(C(=O)O)=C2OC)C=C1C(=O)O;[NaH]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2OCS(=O)C2C2C(=O)N(C3=CC=CC=C3)C(=O)C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC(C)(C)N1C=C(C2=C3OC(=O)C(C4=CN(C(C)(C)C=C)C5=CC=CC=C45)=C3OC2=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C(S(=O)(=O)NNC2=NC(N3CCCCC3)=NC(N3CCCCC3)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=C(C3=CN=CC=N3)C(C3=CN=CC=N3)=C(C3=CC=CC=C3)N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CC1=C(C2=C(CC(=O)OC)C3=CC=CC=C3N2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)[N-]N1C3=C(N=[N+]21)C1=NON=C1C=C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CCC2C3CCC4(C)C(=O)CCC4C3C3OC23C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(N)=S)C(CN(C)C)C(C1=C(O)C2=CC=CC=C2OC1)C1=CC=CC=C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCNC(=O)CN1N=C(C2=CC=CC=C2)NN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(C)CC(NC2=NCCO2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=C(C3=CC=CC=C3)C3=CC=CC=C3C(=O)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC(CSP234N5CCN2CCN3CCN4CC5)=CC(CSP234N5CCN2CCN3CCN4CC5)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;NC1CCC(C(=O)C2CCC(O)CC2O)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NP(=O)(N1CC1)N1CC1)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1CCC23C4=CC=CC=C4N(C)C2CC(=O)CC13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(N=NC2=CC(S(=O)(=O)O)=CC3=CC(S(=O)(=O)O)=CC(O)=C23)=C(C)C=C1N=NC1=C(S(=O)(=O)O)C=C2C=C(NC3=CC=CC=C3)C=CC2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C(C)C(=O)N1C(=O)OCC12C1CCC(C1)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CCN2C(=O)C3=CC=CC4=C(SC5=CC=CC=C5[N+](=O)[O-])C=CC(=C34)C2=O)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CC2=CC=CC=C2N1CC1=CC=C2C=CC=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=NN=C(C2=CC=CC=C2)S1)C1=CC(=O)C2=CC([N+](=O)[O-])=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COCC1=C(O)C=C2OC3=C(C(C)=O)C(O)=C(C)C(O)=C3C2(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NN=C[Se]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2(CCCC13OC3C1=CC=CC=C1)OC2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl[Pd-2]1(Cl)NCC[N+]12CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN2C=CC=CC2=C(C(C)=O)C1=N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=NC2=CC=CC3=C(N=C4C=C(C)C(=O)O4)C=CC=C23)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1CCC2C3CC4OCC5(CCC(O)CC45Br)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NC3=CC4=C(C=C3N3C=CC=C23)OC2=CC=CC=C24)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(O)C2C(=NO)C3CC1(C1=CC=CC=C1)CC(C3=NO)C2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(Cl)C=C1C(F)(F)F)C(=O)C1CCCS1(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=C(CC(=O)N3CCCCC3C23OCCO3)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(N2CCCCC2)C2=C(OC3=CC=CC=C3C2=O)C2=C1OC(C)=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=CC(=NN=C2C=CN(C)C3=CC=CC=C23)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1)C1=NNC(C(=O)NC2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(SC2=C3C=CC=CC3=NC3=CC=CC=C23)N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1=CC=C2C(=C1C)OC(=O)C1=C2OC(C)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CN(SSN2CCSCC2)CCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1=C(CC)C(CCC(=O)N(CC2=CC=CC=C2)CC2=CC=CC=C2)=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(C2=CC=C(C(C)C)C=C(OC)C2=O)C2=CC=C(C(C)C)C=C(OC)C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NN2C(CCCCCCCCC3=NN=C4SC(=S)NN34)=NN=C2S1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=NCCN2)C(O)=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(P(OCCCCOP(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC=CC=C2C=C1C1=NC(O)=C2C=CC=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OC(C)C(NC(=O)OCC(Cl)(Cl)Cl)C2OC(C)(C)OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(C(=O)NC2=CC=C(C3=NCCCN3)C=C2)C=C1)NC1=CC=C(C2=NCCCN2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Pd-2]1(O)[O+]=C(C3=CC=CC=C3O)[N-][N+]1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=CC=CC=C1)NC1COC(=O)C2CCCN2C(=O)C2CCCN2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12OC3(C(CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1S(=O)(=O)C1=CC=CC=C1)C(O)C2O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2=CC=C3C4=CC=C5C(=O)C6=CC=CC=C6C6=CC=C(C7=CC=C1C2=C73)C4=C56", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(C2=CC=CC=C2)=C(O)NC2=NC3=CC=CC=C3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC2=CC=CN=C2NC2=CSC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN=C1CC2C3=CC(OC)=C(OC)C=C3CCN2C2=C1C(=O)CC(C)(C)C2;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(C=CC2=CC=C([N+](=O)[O-])C=C2)=NNC(=O)C2=CC=NC=C2)SC(N2N=C(C3=CC=CC=C3)C=C2C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NNC3=C4C=CC=C(C(=O)NC5=CC=C(S(=O)(=O)NC6=NOC(C)=C6)C=C5)C4=NC4=CC=CC=C34)C=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NS(=O)(=O)NC2=NN(C3=CC=CC=C3)N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=C(CS(=O)C3=CC=CC=C3N2)C(=O)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NOC3(C4=CC=CC=C4)SC4CCCCC4CN23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC=C(S(=O)(=O)NN(C)S(=O)(=O)C2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C2CSC3=C(SCC4=C(C(=O)OCC)SC(=N4)C4=NC(=C(C(=O)OCC)S4)CSC4=C(SCC5=C(C(=O)OCC)SC(=N5)C(=N2)S1)SC(=S)S4)SC(=S)S3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NN=C(C1=CC=CC=C1)C1=CC=CC=N1)N(CC1=CC=CC=N1)CC1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=CC2=NC3=CC=CC=C3C(NCCCCCNC3=C4C([N+](=O)[O-])=CC=CC4=NC4=CC=CC=C34)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NCC(O)CN1C=NC2=C(NC(=O)C3=CC=CC=C3)N=CN=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2(CCC3=CC=CC=C32)C(=O)N1CN1CCN(C2=CC=CC=N2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2CC3=CC=C(O)C=C3C1(C)CCN2CCC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)OC2=C(C=CC3=CC=CN=C23)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=NC2=C(C(C3=CC=CC=C3)=C(C3=CC=CC=C3)O2)C2=NN=NN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)O;NC1=NC(N)=C(C2=CCN(CC3=CC=CC=C3)CC2)C(O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC=CC2=C1NC(C(=O)O)=C2C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(O)C2=CC=CC=C2[PH](C)(C2=CC=CC=C2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OP(=O)(C2=CC=CC=C2)C=C1SC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=O;FC(F)(F)C1=[O+][Rh+2]234[O+]=C(C(F)(F)F)[OH+][Rh+2]2([O+]=C(C(F)(F)F)[OH+]3)([O+]=C(C(F)(F)F)[OH+]4)[OH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C(=O)NN=C2CCN1C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=CC=CC=C2)C(=O)C12C(C1=CC=CC=C1)C2(C#N)C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN(C(=S)N(C)C(=O)C2=CC=CS2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2NC3=C(CCCC3)C3(C#N)C(=O)NC(=N)C23C#N)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C)N2CCOC2(C)C(C(=O)OC)C1C1=CC=CN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)OCC23CCC(CC2)C2CC23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(C5=CC(Cl)=C(OCC6=CC=CC(B7OC(C)(C)C(C)(C)O7)=C6)C(C(=O)OCC6=CC=CC(B7OC(C)(C)C(C)(C)O7)=C6)=C5)C5=CC(Cl)=C(OCC6=CC=CC(B7OC(C)(C)C(C)(C)O7)=C6)C(C(=O)OCC6=CC=CC(B7OC(C)(C)C(C)(C)O7)=C6)=C5)CCC4(C)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC(S(=O)(=O)O)=CC2=C(N=NC3=CC=C(C(=O)NC4=CC=C(N=NC5=CC=C(S(=O)(=O)O)C=C5)C=C4)C=C3)C(S(=O)(=O)O)=CC(O)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)NCCCCC(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21)C(=O)N1CCCC1C(=O)NCC(N)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OC2COC(C)(C)OC2C2OC(C)(C)OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)C2=C(SSC3=CC=CC4=C3C(=O)C3=CC=CC=C3C4=O)C=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1C(=N)C1=C(O)C3=C(CC(O)(C(C)=O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1=CC=C2C(=C1)OC1=CC=C(N(CC)CC)C=C1C21OC2=CC=CC=C2C2=C1C1=CC=CC=C1N2CC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)CC2(C)C1=CCC1=C2N=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CNC2=C1C1=C(C(=O)C2=O)N(S(=O)(=O)C2=CC=C(C)C=C2)C(C(=O)OCC2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C[N+]12CCC(O)C1C(CO)CC2)C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)[O-])C=C1;C[N+]1=C2C(C#N)=C(NCCC3=CC=CC=N3)C3=CC=CC=C3N2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C=C2CCOC2=O)=CC=C1OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=NN=NN2N=C(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=C1C(=O)N(C2=CC=CC=C2)N(C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ON=C1CCCC1=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C([OH+][Mn+]1(C#[O+])(C#[O+])(C#[O+])[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C=C[PH]1(C1=CC=CC=C1)C1=CC=CC=C1)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(NC3=CC=CC=C32)C2=CC=CC3=C2N1CCC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(OCCN1CCCCC1)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC=CC=C1C(=O)O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CC2=CC=C(SSC3=CC=C(CC4=CC=CC=C4)C=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2(C=CC3(CC2)OCCO3)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2CN3CN(C4=CC=CC=C4)N=C(C4=CC=CC=C4)C3(C3=CC=CC=C3)C2C(=O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2C(CCC23CC3)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N2C3SC4=NC=CC=C4C2SC2=NC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2(Cl)C3(Cl)C4(OCCO4)C4(Cl)C2(Cl)C2(Cl)C1(Cl)C3(Cl)C42Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=C(C2=CC=CC=C2)C2=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;CC12CC(C3=CC=CC=C3O1)N1CC3=CC=CC=C3CSC1=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CN(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC2=C(NC3=CC=CC=C23)C1C1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C(NC(=N)NC1=CC=CC(S(=O)(=O)NC2=NC=C(Cl)C=N2)=C1)NC1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OC1CCCCC1)C1=CC(NC(=S)C2=CC=CC=C2F)=CC=C1Cl", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCCCCCNC1=NC(=O)N(C2CC(O)C(COC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=C(OC)C=C3)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(C#N)C(=C(C#N)C(C#N)C#N)NC1=N;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C(=O)C(=CC2=COC3=CC=CC=C3C2=O)SC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(N2NC(=O)N(C3=CC=CC=C3)C2=O)CN2C(=O)N(C3=CC=CC=C3)C(=O)N2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(C)CC2N(C(=O)C3=CC=CC=C3)N=C(C3=CC=CC=C3)CC2(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=NC3=C(N=C2N(C)C1=O)OC1=CC=CC=C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O+]#C[Ni-4]12(C#[O+])(C#[O+])[PH](C3=CC=CC=C3)(CC[PH]1(C1=CC=CC=C1)C1=CC=CC=C1)CC[PH]2(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(C(C)(C)C)OC(=O)C1C(OC(=O)C1=CC=CC=C1)C1=CC=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=CC=C2C=CC=CC2=N1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC(C2=NC=C(C3=CC=C4OCCCC4=C3)O2)=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1CCC2(C)CC3C(CO)CC(O)C3C(C)(O)CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C(=CNC(=S)C2=CC=CC=C2)C(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=C2N=CNC(=S)N2N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)NC1=NC2=CC=CC=C2C(=O)NN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1[OH+][Cu-3]23[O+]=C4C(=[O+][Cu-3]56[OH+]C(=O)C(=O)[NH+]5CCC[NH+]46)[NH+]2CCC[NH+]3C1=O;[Na+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(O)C2OC2C2(CCCO2)C2OC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(=O)OC2C=C(C)C3=CC(=O)C(C)(CC(OC(=O)C(C)=CC)C12)O3", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C(N2CCCCC2)C=C(C2=CC(N3CCCCC3)=C(O)C3=CC=CC=C23)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(CC(=O)C2=CC=CS2)C(=O)C2=CC=C3OCOC3=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CSC(=S)N1CCCCC1)NC1=NC2=C(CCCC2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=C1CCC(C)CC1=NNC(N)=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOCC1=C(C)C=C(C)C(C2C(C(=O)C3=CC=CC=C3)N3C4=CC=CC=C4C=CC3C2(C#N)C(=O)OCC)=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(CCNCCN2N=C(C)C=C2C)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C2=C3C1=CC=C1C(=O)NC(=O)C(=C13)C=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(COCCCS(=O)C2=CC=CC=C2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(N2CCCCC2)C2=C(OC3=CC=CC=C3C2=O)C2=C1N(C)C1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1C(=O)OC2OC(C3=CC=CC=C3)(C3=CC=CC=C3)NC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NC(=O)C(=O)C2C(=O)C3=C(CC2(C)C)NC2C=CC=CC2S3)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2OCC=C3CN4CCC5(C(=O)O)C(N1)C2C3CC45", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(=O)C2=C(O)C(C)=CC3=C2C(=O)C(N)=C(NC(=O)C=CC=CC=CC(C)C(O)CC1=O)C3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C12C3C=CC(CC3)C1(C(=O)C1=CC=CC=C1)C(=O)C(=O)N2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(ON(CC1=CC=CC=C1)C(=O)C1C=CC=C1)C1=CCC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(NC(=O)C2=CC=C(C3=NCCN3)C=C2)C=C1)NC1=CC=C(C2=NCCN2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC1=NC(SC2=NC=NC3=C2N=CN3)=NC(C2=C3C=CC=CC3=C3SC4=CC=CC=C4N23)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CN(C2=NCCO2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=C1NC(=O)C2=CC=CC=C2N1)C1=CC=NC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2CCCN3CCN4CCC[N+](=C1C)[Ni-2]342;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CSC(CO)CO2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(CCCCC1=NN=C(N2CCCCC2)O1)CCCC1=NN=C(N2CCCCC2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=C(C(N)=O)C(N)=O)C1C=C(C2=CC=CS2)CC(C2=CC=C(Cl)C=C2)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC#[N+][Rh+2]1234[O+]=C5N(C(=O)CCC6=CC=CC=C6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)CCC5=CC=CC=C5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)CCC2=CC=CC=C2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)CCC2=CC=CC=C2)CC1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C)C1CC2=C(C=C(O)C3=C2OC2=C(C4=CC(OC)=C(OC)C=C4OC2O)C3=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCCC2=NC3=CC=CC=C3N2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ON=C1C2CC3C(=NO)C1CC(C1=CC=CC=C1)(C2)C3=NO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCCC(OC(=O)C3=CC=C(Br)C=C3)C(C1)C(=O)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)C(=C(C)NCCN(CCNC(C)=C2C(=O)C=C(C)OC2=O)CCNC(C)=C2C(=O)C=C(C)OC2=O)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=CC(=O)NC1=CC=C2N=NNC2=C1)NC1=CC=C2N=NNC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(SSC(=S)C1CCCC1=NC1CCCCC1)C1CCCC1=NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(N(CCC#N)S(=O)(=O)C2=CC=CC=C2)=CC=C1C=C1N=C(C=CC2=CC=CC=C2)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(OC=C2)C(=O)C2=C1C=CC(=O)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CN(C2=CC=CC=C2)C2(CCN(CCCN(C)C3=CC=C(F)C=C3)CC2)C1=O;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CS(=O)(=O)C1=NC2=CC=C(N3C(=O)C4=CC=CC=C4C3=O)C=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC1=C(O)C(OC)=CC3=C1C(C)N(C)CC3)C(C)N(C)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2CCN3C(C)(C)CC(C)=[N+]4CCN(C(C)(C)C1)[Ni-2]324;F[B-](F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=CC=C1)C1=CC=C(SC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=CC(=O)C2=CC=CC(C(=O)C=CC3=CC=C(OC)C(OC)=C3)=N2)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N2C=C(C3=CC=C(Cl)C=C3)C3=C(NNC(=S)NCC4=CC=CC=C4)N=CN=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC(=O)CC1=CC=CC=C1)NC(=O)C(C)C(=O)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1=CC(=O)OC2=C3C(=O)C(C)C(C)OC3=C3CCC(C)(C)OC3=C12", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C2CSC[N+]2=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC(C(=O)C1=CSC=C1)C1=CC=CS1)C1=CSC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC2=C(N=CN2C2CCC(CO)O2)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2CC(C1=CC=CC=C1)C1=CC=C(O)C(O)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=NC3=CC=CC=C3C(=O)N2C1=CC1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC2=C3C=CC=CC3=CC=C2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC1=CC=C(N=C2C=CC(=NC3=CC=C(F)C=C3)C3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1NCCNC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC(OC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C(COC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)O2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)CC1C3=C(CCN21)C1=CC=CC=C1N3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CC(C2=CC=CC=C2)(C2=CC=CC=C2)NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)C=C(NC(=O)OCC2=CC=CC=C2)C(F)(F)F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OCC(SC(=O)C2=CC=CC=C2)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C=C3CC(OC(=O)C4=CC=CC=C4)CCC3(O1)C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=C(C2=CC=C(C)C=C2)N(C2=CC=CC=C2)C(=O)C(=O)N(C2=CC=CC=C2)C(C2=CC=C(C)C=C2)=C(SC)SS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=CC2=C(NC3=CC=C(Cl)C=C3)C3=CC=CC=C3N=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N(C)C(=O)C(NC2=CC=C([N+](=O)[O-])C=C2)(SCCO)C1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=C(CN(CC3=CC=CC=C3)CN2)C(=O)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=NNC1=NC(C2=CC=CC=N2)=NC2=CC=CC=C12;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC(=CC2=CC=C(C=C3N=C(C)OC3=O)C=C2)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=NC=CN1CCC[N+]1=CC=C2C=CC=CC2=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC=CC=CSC1=CC=CC=C1)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC=C(S(=O)(=O)C2=NN=C(NC(C)=O)S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1C=CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)N2C(=O)N(C3=CC=CC=C3)C(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(C2=CCCCCC2)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C2CCC3(C)C(C2)C3SC2=CC=CC=C2)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC([Se]C2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+](C)(CCNC1=CC=C(NCC[N+](C)(C)CC2=CC=C([N+](=O)[O-])C=C2)C2=C1C(=O)C1=CC=CC=C1C2=O)CC1=CC=C([N+](=O)[O-])C=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC=C1NC(=O)C1=C(C)OC2=C1C(=O)C1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2N=C(NC(=O)C(=O)C3C(=O)NC(=S)NC3=O)SC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1N=NN2C1CCC(CP(=O)(O)O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NOCCCOC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N1N=C(C2=CC=CC=C2)OC2(N3CCOCC3)CCC(C(C)(C)C)CC12", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=NNC2=NN=C3C(=N2)C2=CC=CC=C2C2=NN(C4=CC=CC=C4Cl)N=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1C(C(=O)OCC)C2C3=NC=CC=C3C3=CC=CC=C3N2C1C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(OCC2OC(N3CN4C(=NC3=O)N(C(=O)C(C)C)C(OC(=O)C(C)C)C4OC(=O)C(C)C)CC2OP(OC)N(C(C)C)C(C)C)(C2=CC=CC=C2)C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-]C1=C(C2=CC=CC=C2)SC(C2=CC=CC=C2O)=[N+]1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C=C(S(=O)(=O)C2=CC=CC=C2)OC2=CC=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N(C)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2N=NN=C2C2(NC3=CC=CC=C3)CCN(CC3=CC=CC=C3)CC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=NN(C2=CC=CC=C2)C(=O)C1=CN1C=CC(=O)NC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N2C3CC4CC5CC(C4)C3(C5)C(C)(C34CC5CC(CC(C5)C3)C4)N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N=C2N(C)CCCS2(=O)=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC(F)(F)C1=CC=C(C2=NS(C3=CC=CC=C3)=NC(C3=CC=C(C(F)(F)F)C=C3)=NS(C3=CC=CC=C3)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C)C(OC)=CC(=O)C2C3CCCC3C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC2=C(CCCCCC2)OC1=O)C1=CN=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C2NC3=CC=CC=C3C23CCN2CCC(=O)CC(C1)C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(OC)=C1NC(=O)C(=O)NN1C(NNC(=O)C2=CC=NC=C2)=NC2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(NC(C)(C)C)OCC1=NNC(=O)CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(SCC(CSCCO)OCN2C=NC3=C2NC(=N)NC32OCCO2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;C(COC1=CC=CN=C1)=NNC1=NCCN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCCN2CCN(C)CCCN(CC1)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(=O)C(=CNC(=S)NN=C1C(=O)NC2=CC=CC=C12)C(=O)C1=C(C)NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CCC2=C(CCC3C2CCP3(C)=S)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C23CN4C(=O)N(C5=CC=CC=C5)C(=O)N4C2(C)C1(C)C3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC12C=CC(=S)N(CCSC3=CC=CC=C3)C1C1=C(CC2)N(S(=O)(=O)C2=CC=C(OC)C=C2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC3C(COC(CC[Se]C4=CC=CC=C4)N3O)O2)C(=O)NC1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NN=C(C2=CC=CO2)C(C2=CC=CO2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1=C2C(OC(=O)C(C)C)CC3(COC(C)=O)OC3C=CC3(C)OC3C2OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N(C2CC(O)C(CO)O2)C=C1N=NNCCCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C(=O)OC)CC(=O)C2=C(OC(=O)C3=CC=CC(OC)=C3C#N)C=CC(OC(=O)C3=CC=CC(OC)=C3C#N)=C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC=C1OP(=S)(OC1=CC=CC=C1C)OC1=CC=CC=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2CC(=O)CC2(C2CC=CC2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC=C1N1C(=O)N[N+]2(CCCCC2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+](C)(C)C1C=CCC2=C1S(=O)(=O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2N=C3N=C4C=CC=CC4=NC3=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C(C#N)C2=NC3=CC=CC=C3S2)=NC(Cl)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(CCO)C1=NC(=O)C2=C(CCCC2)N1C1OC(CO)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(O)C(C2=CC=CC=C2)NC2(C)CCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)[Si]1(C(C)C)OCC2OC(N3C(=O)NC(=O)CC3C(O)C3=CC=CC=C3)CC2O[Si](C(C)C)(C(C)C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(Cl)C([Bi](C2=CC(OC)=CC=C2Cl)C2=CC(OC)=CC=C2Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCCCCC[N+]1(C)CC2CCCCC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2C3C=CC(C3)C2C2C3C=CC(C3)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC2=C(N=C1N)C(=O)CCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=C(NNC2=CC=CC=C2)C2=C1N(C1CCCCC1)N=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(C(=O)N(C)CCN(C)CCC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(CCC2(C3=CC=C(OC)C(OC)=C3)[CH-][N+](=O)OC(OC3CCCCC3C(C)(C)C3=CC=CC=C3)C2)OCC(C)(C)CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NN=C(CN2C3=CC=C(Br)C=C3C3=NC4=CC=CC=C4N=C32)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(O)=C2C(=N1)N=CN2CC(O)COC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCC(N2CSCSC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCC[N+]1(CC2=CC=CC=C2)CC2CCN(CC3=CC=CC=C3)CC2C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)N2CCNC2=C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(C(C)=C1C)C(=S)NC(=O)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(S(=O)(=O)NN2CCOCC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1NC(C1=CC=C(C[PH](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C=C1)=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NCC(CN2CCCC2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1OC(=O)C2(C(C=CC)C=CC(=O)C2O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCSC2=C(C=NC3=CC=CC=C23)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(N(CCC#N)CCC#N)=CC=C1CC1N=C(C2=CC=CC=C2)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CCC2(C)C(=O)C34CC5(C)C(C(C)CCCC(C)C)CCC5(C)C(O)(O3)C(=O)C4C2C1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)OCC2OC(OC3(CO)OC(COS(=O)(=O)C4=CC=C(C)C=C4)C(O)C3O)C(O)C(O)C2O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(C(NC2=NCCC=N2)C2=CC3=C(C=C2O)OCO3)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C(=O)NCC1=CC=CC=C1)=C(N)N1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1C=NC2=CC=C(Cl)C=C2NC1=O)C1=CC=C2C=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CC2C(=O)C(=O)C1(C)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(C1=CC=CC=C1)C1(SC2=CC=CC=C2)CC(Br)C(Br)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CSC1=NN=C(CSC2=CC=C(Cl)C=C2)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)C2=CSC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(SCC2=CC=CC=N2)=C2N=CN(C3CCCC3)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(CCCNC1=CC=C2N=CN3C4=CC=CC=C4C(=O)C1=C23)CCCN1C(=O)C2=CC=CC3=CC([N+](=O)[O-])=CC(=C23)C1=O;CS(=O)(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C2NC=NN2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CN2CCN3CCN4CCN1[PH]243", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NC2=NC(C)=C(C(C=CC3=CC=C(C=CC(=NNC(=O)C[N+]4=CC=CC=C4)C4=C(C)N=C(NC5=CC=C(C)C=C5[N+](=O)[O-])S4)C=C3)=NNC(=O)C[N+]3=CC=CC=C3)S2)C([N+](=O)[O-])=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC(=CC2=CC=CO2)C(=O)N1CN1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C2=CC=C(Cl)C=C2)C2=CC=CC=C2C(=O)N1CCCN1C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=CC2C(C3C=CC2(Br)C32OCCO2)C12OCCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1N2C(=O)C=NOC2SC1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2N=C(C2=CC=CC=C2)N1C1=NC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH](CCN2CC3=CC=CC=C3C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC2=NC3=CC=CC=C3C(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(SC3=CC=CC=C3S2)C(=O)C2=C(Cl)C(Cl)=C(Cl)C(Cl)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)OP(=O)(OC(C)C)C(=NC1=CC=C(NC(=NNC2=CC=C([N+](=O)[O-])C=C2)P(=O)(OC(C)C)OC(C)C)C=C1)NNC1=CC=C([N+](=O)[O-])C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2CC3=CC=C(O)C=C3C1(C)CCN2CC1CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OP(=O)(OCC2=CC=CC=C2)OCC2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C1I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOP(=O)(OCC)OC1C2=C(C=CN2)C2=C(NC(C(=O)OC)=C2)C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NC3=NC4=CC=CC=C4N=C3N=C2C2=CC=CC=N2)N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC=C2N=C(NC(=O)C(CC(=O)CC(C3=C(O)C4=CC=CC=C4CC3=O)C3=CC=CC=C3)=NO)SC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NCCC1=CC=CC=N1)C1=C(C(=S)NCCC2=CC=CC=N2)NC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(Br)=C1CC2C3=C(CC(C1=O)N2CC1=CC=CC=C1)C1=CC=CC=C1N3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C2(CCCCCC2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCC2=CC3=C(C=C12)CCC3C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)[CH-][Ge]12[OH+]CCN(CC[OH+]1)CC[OH+]2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C(=O)C2C=C(C3=CC=C(C)C=C3)SC3C=CCC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1CCCCC1NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NC1CCCCC1NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(O)C2=C(C(=O)C(O)=C3C(C)(C)CCCC32C)C(O)=C1C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=C(C3=CC=CC=C3)C3=C4N=NC=C(C5=CC=CC=C5)N4N=C3N=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(N=CN2CCNC(CO)C(O)C2=CC=C([N+](=O)[O-])C=C2)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C(S(=O)(=O)O)C=C(NC2=CC=C(S(=O)(=O)O)C(NC3=NC(Cl)=NC(Cl)=N3)=C2)C2=C1C(=O)C1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NC1CCCCC1)SSSC(=S)NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NNC2=NC(=NC3=CC=CC=C3)N=C(NC3=CC=CC=C3)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1N1C(N)=C2C(C)=C(C3=CC=CC=C3)NC2=NC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=C(C2=NC3=CC=CC4=CC=CC(=C34)N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC2=C(N=CN2C2CCC(CO)O2)C(=O)N1C(=O)C1=CC=CC=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCNC1=NC(NC(C)C)=NC(C2=CC=NC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C1C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-][N+]1=C2C3=CC=CC4=C3C(=CC=C4)C2=[N+]([O-])C2=C3C=CC=CC3=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CCC3(OCCO3)C1C(O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)C=NC1=C3C=CC=CC3=NN21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1CC=CC2C3C(C)(O)CCC(Br)C3(C)CCC21CBr", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C2NC(=O)CC(C3=CC=CC=C3)C2=C(N)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2C1C1C3NN=CC3C2N2C(=O)N(C3=CC=CC=C3)C(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C(C2CNCC3=CC4=C(C=C32)CNCC4C2=C(C)C=C(C)C=C2C)C(C)=C1;O=C(O)C(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC[Sn](CCCC)(SC1=NCCS1)SC1=NCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=NC1=C(C2=CC=CC=C2)NC(C2=NC=CC3=CC=CC=C23)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=NC(=S)SC2=NC(=O)C3(NN21)C1=CC=CC=C1C1=CC=CC=C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(C=C1Cl)SSC1=CC(Cl)=C(C)C=C1S(=O)(=O)N=C1NC(=N)NN1C(O)N1NC(=N)NC1=NS2(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC(=P(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCN2CCC(=O)C3=C2C(=CC2=CC=CC=C32)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=[N+]3C1=CC1=CC(C)=C4C=C5C(C)=C(CCC(=O)O)C6=[N+]5[Mn]3(Cl)(N14)N1C(=C2)C(C)=C(CCC(=O)O)C1=C6", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=CCC3(C)C(=O)CCC3=O)CCC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(O)C2=CC=CC=C2N=C2C1CCN2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2C3=CC=C4C=NC=CC4=C3NCC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN2C(NS(=O)(=O)C3=CC(C)=C(Cl)C=C3S)=NN=C2C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC=C1CC(C(=O)OCC)CCCCCCCCCCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(COC(=O)CC1(CC(=O)O)CCCC1)C1CCC2(COC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C)C=CC(=O)C2(C)C1C(O)C1OC3CC(C4=COC=C4)C(C)=C3C1(C)C2CC(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC(=NS(=O)(=O)C1=CC=C(Cl)C=C1)NCCCNC(=NS(=O)(=O)C1=CC=C(Cl)C=C1)SC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2CCSCCSCCN(S(=O)(=O)C3=CC=C(C)C=C3)CCN(S(=O)(=O)C3=CC=C(C)C=C3)CC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C=C1NC2=CC=CC=C2C(C2=CC=CC=C2)=NC1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC3=CC=CC=C3N2C(=O)C2=CC3=CC=CC=C3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CCC1CCC2=CC=CC=C2C12CCC(=O)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=CC1=CC=CC=C1)C=C1NC(=S)N(C=C2C(=O)OC3=CC=CC=C3C2=O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCCCCCCCCCCCOC1=CC=C(C2OCC3(CC=CCC3)CO2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NC1=CC=CC=C1[N+]1=NOC([O-])=C1Br", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC2=C1C13OC(C)C4(C)CC5OC(=O)C1(C)C5C43C(=O)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)N1N1C(=O)C2C3CCC(O3)C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2=CC(C3=CC=CC=C3)=NC(C3=C(OC)C=CC4=C3OC(=O)C=C4C)=C2)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCCC(=CC2=CC=CC=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C)C1=C(NS(=O)(=O)C2=CC=C(C)C=C2)ONC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;NC1=CC=C(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NOC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=C4N=C5C=CC=CC5=C(NC5=CC=C(S(=O)(=O)NC6=C(C)C(C)=NO6)C=C5)C4=C3)C=C2)=C1C", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(C(C)C)C(O)=C(O)C(C=NCC3=COC=C3)=C2C(O)=C1C1=C(C)C=C2C(C(C)C)=C(O)C(O)=C(C=NCC3=CC=CO3)C2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)C(C#N)=CN2CC(=O)NC2=S)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1O)CC13CCC(=O)N1CCC1=C3C2=C(O)C(OC)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;ClC1=CC=C(CCN2C=CC3=CC=CC=C32)C(Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)SC2=CC(C(=S)N3CCN(C4=CC=CC=C4)CC3)=CC=C21", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1=CC(=O)OC2=C3C(=C4C(=O)C(O)C(C)(C)OC4=C12)OC(C)C(C)C3O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2CCSCCN(S(=O)(=O)C3=CC=C(C)C=C3)CCN(S(=O)(=O)C3=CC=C(C)C=C3)CC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CN(C2OC(COC3CCCCO3)C(OC3CCCCO3)C2OC2CCCCO2)C(=O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=CC(Cl)=C1NC1=CC=CC=C1CC1=NC2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C=C3C(=CC2=C1)CN1C3=NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC(S(=O)(=O)NC2=CC(CC3=CC(NS(=O)(=O)C4=CC=C(O)C(C(=O)O)=C4)=C(O)C(C(=O)O)=C3)=CC(C(=O)O)=C2O)=CC=C1O;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)ON1CCC(N2C=C(C)C(=O)NC2=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1C2NC(=S)NC1(C)OC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCC1C2CCC(C2)C1CNC(=O)NC1=CC=CC(Cl)=C1)NC1=CC=CC(Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)C3=CC=CC=C3)CC(S(=O)(=O)C3=CC=CC=C3)C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=[N+](C2C(=O)C3=CC=CC=C3N(C3=CC=CC=C3)C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2CCCSCCSCCCN(S(=O)(=O)C3=CC=C(C)C=C3)CC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCCCCNC(=O)NCC1=CC=CO1)NCC1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=S)NC1=CC=CC=C1)C1C2CCC(C2)C1CC=CCCCC(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)N1C(=S)N(C2=CC=CC=N2)C(=NC2=CC=CC=C2)C1=NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=CC(C(O)CNC2CCCCC2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;N=C(NO)NN=CC1=NC=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1CCCCC1)C1=C(Cl)NN=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NNC(=O)C1C1(C(=O)O)CC(C2=CNC3=CC=CC=C23)=NC(=S)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(NC(=S)NC2=NC(C3=CC=CC=C3)=CC(C3=CC(Cl)=CC=C3O)=N2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN2C(=O)C3=C([N+](=O)[O-])C(C)=NN3C(=O)C2=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCCN(CCO)C1=CC=C2C(C3=CC=CC=C3)=CC(N(CCO)CCO)=NC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(OC1=CC=C(Cl)C=C1)C(=O)N(C(=O)N1CCCCC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(C2=CC=C(C3=CC=CC=C3)C=C2)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1OC(C2=CC=CC=C2NC)=NC12CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NN=C2C=CC=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(O)C(N=NC2=CC=C(S(=O)(=O)O)C=C2)=N1;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C2NP(=O)(N(CCCl)CCCl)OC1C2O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=CC=CC=C2)C(=O)C1N=NC1=CC=C(S(=O)(=O)NC2=CC(C)=NC(C)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1NC(=O)CN1C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1(Br)C(C2=CC=CC=C2)NC(=O)N(C2OC(COC(=O)C3=CC=CC=C3)C(OC(=O)C3=CC=CC=C3)C2OC(=O)C2=CC=CC=C2)C1(C)Br", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)[N+](=[N-])C(=O)C1CCC(=O)N1C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2C3=CC4=C(C=C3CC3COC(=O)N32)OCO4)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;C(=CC1=CC=C(C2=CN3C=C(C=CC=NNC4=NCCCN4)C=CC3=N2)C=C1)C=NNC1=NCCCN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC(CN2CCC(=O)NC2=O)(C2=CC=CC=C2)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(C(=O)C(O)C(C)O)C1CC2=CC3=CC(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)=C(C)C(O)=C3C(O)=C2C(=O)C1OC1CC(OC2CC(O)C(OC3CC(C)(O)C(O)C(C)O3)C(C)O2)C(O)C(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=CC1=NC2=CC=CC=C2O1)C1=CC=C2OCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N1CC2=C(C1)OC=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1NC(=O)C2=C1C(=O)NC(=O)C2", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCCC1(CCP(=O)(C2=CC=CC=C2)C2=CC=CC=C2)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1(C#N)C2CCC=C(SC3=CC=CC=C3)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(CC2(C)C3=C(OC2C)C2=C(C)C=CC=C2OC3=O)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C2CC3=CC=CC=C3C[N+]2=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CS(=O)(=O)CC(C)(C)C(=NN)C1=NN", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=NC2=C1C=NN2C1CCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=CC(C(=O)NC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=C3C=CC=CC3=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(Cl)C(=O)OC2=CC(OCC(=O)C3=CC=CC=C3)=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1C2CC(C1C(=O)O)C1C2N1S(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NN=C(CCC2=NNC(=N)N2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=S)NN=C1C2=CC=CC=C2CCC1CCC1(O)CCC2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1CCN(C23OC4(N5CCN(C(C)=O)CC5)C5C6CC(C7C6C4C72)C53)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(C2=C(O)C(=O)C=C(C(C)C)C=C2)C2=CC=C3C=CC=NC3=C2O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)O)C(C)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=C2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(O)=C7C(=O)C8=C(O)C=C(C)C(O)=C8C(=O)C746)C35C(=O)C2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)N=C1CC(C2=CC=CC=C2)C(C#N)(C#N)C1(C#N)C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(OC)C(N2N=NC3=CC=CC=C3C2=O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC=C1C(=O)OC2=CC=CC=C2C1=O)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC2=C1OC1=CC(Cl)=CC=C1C2NC(=O)CCN1CCOCC1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=NNC(=O)N2C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2CCCC2=CC(=NNC2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCl)N1CCC(CC2(C3=CC4=CC=CC=C4N3)OCCO2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C2=CC=CC(C3CCC4(C=CC3=O)OCCO4)=C2)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)OC(C2=CN=CC=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1(CO)COC(CCC2=CC=CC=C2)OC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C2NN=C(OCC3=CC=CC=N3)C2=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1C(OCC2=CC=CC=C2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCNC1C2=CC=CC=C2NC2=CC=CC([N+](=O)[O-])=C21)C(N)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N;O=C(O)C1=CC(CC2=CC(C(=O)O)=C(O)C(C(=O)C3=CC=C(O)C(C(=O)O)=C3)=C2)=CC=C1O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1CCC1=C2N=C(CN2CCN(C)CC2)S1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(CC1CCCC1)NS2(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CC2=C(C=C3C=CC4=CC=CC5=CC=C2C3=C45)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC1=NC2=CC=C(Cl)C=C2C2(C3=CC=CC=C3)N(C1)OC(=O)N2C;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC=C(C=CCNC(=O)C2=CC=CN2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC1CC1)C1=CC=CC=C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(N1CCS(=O)(=O)CC1)P(=O)(O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(C(Cl)C(Cl)C2=CC=C(C(Cl)C(Cl)C3=CC=C([N+](=O)[O-])C=C3[N+](=O)[O-])C=C2)C([N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1=CC(=O)N2C=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1C[N+]23CCC[N+]4(C1)CC[SH+][Pd-2]24[SH+]CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2=CN=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C2=CC=CC=C2)=CC2=C3C=CSC3=C3C=CSC3=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;OC(CC1=CC=C2C=CC=CC2=C1)CN1CCC(C2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(CCC=CC1=CC=CC=C1)N1CCCC1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C12C(=O)C(C)CCC1C(C)CC2C=C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(=O)C2CCCC1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C([N+](=O)[O-])N=C(Cl)C2=NN=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CS1)N1CCC2=CC=CC=C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(C2=CC=C3OCOC3=C2)CC(Cl)CC12C=C1OCOC1=CC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2C3=CONC3CC3CCCCC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1N(S(=O)(=O)C2=CC=C(C)C=C2)CCC12C(C1=CC=C(OC)C(OC)=C1)=NC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1CNC(=S)CN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH](CCCCCC[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCC1=CC(CNC(=O)C2=CC=CC(O)=C2O)=CC(CNC(=O)C2=CC=CC(O)=C2O)=C1)C1=CC=CC(O)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)NCC1OCC2=CC3=C(C=C2C12CC=CCC2)OCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC23CCC4(CC2=CCCC3O1)OCCO4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2CC(O)C=CC3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)SC2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(N=P(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)N2N=NN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CC=CC=C1)NC(=O)CN1C=CN=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC2CC(=O)C(O)C(C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+](C)=C1C=CC(=C2C=C(C3=CC=CC=C3)OC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "SC1=NC=C(C2=CN=CC(C3=CN=C(S)N=C3)=N2)C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CC(=O)OC1C2C(C)=CC(O)C(O)C2(C)C2C3(O)OCC24C(CC(=O)OC14)C(C)C3O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC23C4COC(=O)C2CCC1C3CC4=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=NC3=CC=CC=C3C(=O)N2N=C1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC2CC(C)CC(O)C2(CCCN)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC(C(C)C2C(O)CC3C4CCC5CC(O)CCC5(C)C4CCC32C)NC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;OCC1NC(CC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C(CC(C(=O)C(=O)NC2=CC(C(F)(F)F)=CC=C2Cl)C(=O)C2=CC=CO2)C(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCN1CCCC(O)C1COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)NCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CCOC(=O)C(Cl)CC1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CCOC1=C2C=COC2=CC2=C1C=CC(=O)O2)C1=CC(=O)C(C)(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=S)NC1=CC1=CC=C(SC2=CC=CC=C2C(=O)O)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)N(CC1OC(N2C=NC3=C(N)N=CN=C32)C2OC(C)(C)OC12)OC(=O)C(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[PH]1(C2=CC=CC=C2)CCC(N)=C(C#N)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1C(C2=CC=CC=C2)N(C)OC1(C1=CC=CC=C1)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CNC(=O)NC1=CC(N2C(=O)ON3C2C(C)(C)N(O)C3(C)C)=CC=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1CC(C2=NN=NN2)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C2=CC=CC=C2)=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1CN2C(=NC3=CC=CC=C32)C[Se]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)NC2CCCCC2)CC(C(=O)NC2CCCCC2)=C(C)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN=C(NC)N2N=C(C3=CC=CC=C3)N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CN=CC(C)(OCC2=CC=CC=C2)C(=O)NC(C)(C)CN=CC(C)(OCC2=CC=CC=C2)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC(CNC2CCCC2)=NC(O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC=C1CN2CCC3=C4C2CC1C(CO)N4C1=CC=CC=C31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC(COC2=CC(Cl)=NC(N)=N2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CSC(C2=C(Cl)SC(CCNC(=O)C3=CC=CC=C3)=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CN=C2C(=O)N1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CN1C(=S)SC2=CC=CC=C21)C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1CC2(C)CCC(OC)C34C5CC6CCC(O)(C5C(=O)O6)C(C(O)C23)C14", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NNC(=N)NC1=CC(SC1=CC=C(Cl)C=C1)C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(C=C1Cl)S(=O)(=O)OC(C1=CC=C([N+](=O)[O-])C=C1)=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CCCN(CCC#N)C1=CC=C(C=C2CC(O)(C3=CC=CC=C3)NC2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C(C2=NOC(=NS(=O)(=O)C3=CC=C(Cl)C=C3)O2)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CN=C2N=CN1CCCN1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=NC(NN)=CC(O)=C1CCCCCC1=C(O)N=C(NN)N=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC(SC)=C1C(=O)NN=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N=C2SN=C3SC=C(C4=CC=CC=C4)N23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC(=O)N=C2C=C3C=CC=CC=C3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1[OH+][Co-4]23(NCCN2)([OH+]C1=O)[OH+]C(=O)C(=O)[OH+]3;[K+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CCCC2(C)OC2CC2(C)CC(=O)C(=C(C)C)C2CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2SC(Cl)(C(Cl)C3=CC=CC=C3)C(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(CC(=O)C1=C(Br)I)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=NN(C2=CC=C(NC(=S)NC3OC(CO)C(O)C(O)C3O)C=C2)C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1SC(=NC2=CC=CC(OC)=C2)N(C2=NC(Cl)=NC(Cl)=N2)C1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C23CC4CC(CC(C4)C2)C3)N2C(=O)N(C3=CC=CC=C3)C(=O)N2C1(C)C12CC3CC(CC(C3)C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC23CCC4C(C)(C)CCCC4(C(=O)O2)C3=CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC[Sn]1(CCCC)OCC(C2=CC=CC=N2)CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C2NC3=CC=CC=C3N2C(=O)C(C=NC2=NC=CC=N2)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1COC(C)(C)P(C2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=NC(Cl)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NC2=CC=CC3=C2C(=O)C2=CC=CC(NC4=CC=C(C)C=C4S(=O)(=O)O)=C2C3=O)C(S(=O)(=O)O)=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C(NC(=O)C2=CC(NC(=O)CCC(=O)NC3=CN(C)C(C(=O)NC4=CN(C)C(C(=O)NCCC(=N)N)=C4)=C3)=CN2C)C=C1C(=O)NCCC(=N)N;Cl", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C(OC2=CC=CC=C2)N=C2C=NC=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)OC(=CC1=CC=C(OC)C=C1)C1=C(OC(=O)OCC)N(C(=O)OCC)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(C)=C1NC(=O)CCCC(=O)C1C(=NNC(=O)CC#N)CCCC1=NNC(=O)CC#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1)N1COC2(C#CC3=CC=C4OCOC4=C3)CCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC(C(=O)OCC)=C2C=CC=C3C=CC=C1N32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CC1C(=O)OC2C3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C4=C2C1C(O)C(=O)O4)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)O3", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC(OC23CC4CC(CC(C4)C2)C3)=NC(Cl)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC=C2NN(C3=CC=C(C=CC4=CC=C(N=NC5=CC=C(C=CC6=CC=C(N7NC8=CC=C(S(=O)(=O)O)C=C8N7)C=C6S(=O)(=O)O)C(S(=O)(=O)O)=C5)C=C4S(=O)(=O)O)C(S(=O)(=O)O)=C3)NC2=C1;[NaH]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=CC2=[N+]3C(=C1)C1=CC=CC=[N+]1[Cu-5]314([N+]3=CC=CC=C23)[N+]2=CC=CC=C2C2=CC(SC)=CC(=[N+]21)C1=CC=CC=[N+]14;[O-][Cl+3]([O-])([O-])[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CC3OC3(C)C1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C(=S)N=C1SN(C)C(=NC(=S)N(C)C)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=C(Cl)C=C2N=C2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(SSC2=CC=C3C=CC=CC3=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C1NC2=CC=C(Cl)C=C2C2C3=CC=CC=C3OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1=CC=C2C3NC4=CC=CC=C4C3CC[N+]2=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C)NC2=C(C(=O)C3=CC=CC=C23)C1C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C)(C)C12C=CC1=CC=CC([N+](=O)[O-])=C1O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(C(=S)NC1=CC=CC=C1)C1=NN2C(=O)C=C(C)N=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC(C(=O)OC)=C(CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)N=C1CC(=O)C(=O)NC1C2CC3CC(C2)CC1C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CN(S(=O)(=O)C2=CC=C(C)C=C2)CCCN(CC2=CC=NC=C2)CCCN(S(=O)(=O)C2=CC=C(C)C=C2)C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(SC1=NCCN1)C1=CC=C2C=CC=CC2=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C)C(C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1)N1C(=O)C(NC(=O)COC2=CC=CC=C2)C1SSC1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1CCC2C3CCC4C5=NN(C6=CC=CC=C6)N=C5CCC4(C)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=COC(NS(=O)(=O)C2=CC=C(N=NC3=C(N)N(C)C(=O)N(C)C3=O)C=C2)=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C(C2=CC=CC=C2)=CC(C2=CC=CC=C2)(C(Cl)(Cl)Cl)C=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)OCC23CC4CC(CC(C4)C2)C3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=CC=NC3=C2C(=C1OC)C1=CC=CC=C1C3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)NCC2=CC=CC=C2)C(C=CC2=CC=CC=C2)C(C(=O)NCC2=CC=CC=C2)=C(C)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(CC2=CC=CC3=CC=CC=C23)=NC2=C1C=CC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=CSC(C2OC(COP(=O)(O)CP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(O)C2O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=C2C=CC([N+](=O)[O-])=C[C-]2[N+]1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NN=C1C2=CC=CC=C2C2=CC=C3C4=CC=CC=C4C(=NN)C3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCC2(CCCC(=O)N2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(SC2=NC(=CC3=CC=C(Br)S3)C(=O)N2C2=CC=CC=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC(=O)N2CCCNC2=C1C(=O)NC1=CC=C(Cl)C=C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C3C(CC4=CC5=C(OCO5)C(=C4)OC4=CC=C(C=C4)CC4C5=CC6=C(C=C5CCN4C)OCC3(O6)C1=O)N(C)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C)C1=C(NC(=O)C2=CC=CC=C2)ONC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=S)NC(N)=C(CC2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=NC(C2=CC=CC=C2)(C2=CC=CC=C2)OC1=C(Cl)Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CN(C2=CC=CC=C2)C2(CCN(CCCSC3=CC=CC=C3NC(=O)C=CC3=CC=CC=C3)CC2)C1=O;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C)NC(C2=CC=CO2)=C(C#N)C1C1=CC=CC([N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]1ON=C(C2=CC=CC=C2)[C-]1C1=NO[N+]([O-])=C1[C-]1C(C2=CC=CC=C2)=NO[N+]1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(NC2=NN=C(CSC3=NC(C4=CC=CC=C4)=C(C4=CC=CC=C4)N3)S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=CC=C1C(=O)NN1C=NN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)N1CC2CC=CC(C2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C(=O)O)C1CCC2(C)CC(O)CC(=C)C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C3=C(C=NC2=C1)P(C)(=O)CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]1ON=C2CCC3=NON=C3[C-]21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C2=C(C3=CC=CC=C3)NC3=CC=CC=C23)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CNC(=O)C(C)(C2(C)NC(C)(C)CNC2=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CC(=CC2SSC=CC23C=CC(=O)C3)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC2=C(CCC2)N1CCC1=CC=C2OCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCCN1CCN2C=C(C3CCCC4N(CCO)CCN34)CCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1(Br)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2N=C1NN=CC1=CC=C(N(C)C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P12OP(=O)(O[Pd-2]3(NCCN3)O1)O[Pd-2]1(NCCN1)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=C2CN(C)CC3=C2N=C(O)C(C#N)=C3C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NC(C2=NC(O)=C3C=CC=CC3=N2)=NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC1=CC2C(=O)NC(=O)NC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(N=NC2=CC=C3C(=P(C4=CC=CC=C4)(C4=CC=CC=C4)C4=CC=CC=C4)C4=CC=CC=C4C3=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=CC2=C(O)N=C3N=CC=NC3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC2=CC=CC=C2)CCCCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C(C(CC(C2=CC=CC=C2)C2=CC3=C(C=C2O)OCO3)C2=C(O)CC(C)(C)CC2=O)=C(O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCCC(N2N=NC3C4CC(C5N=NN(C6CCCCCC6)C45)C32)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)CCC1C2CCC2(C)OC(=O)CCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)N1C2CCCCC2=NN(C2=CC=CC=C2)N1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=NC(C3=CC=C(Cl)C=C3)=NN2C(Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CC1CCC=CC1NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)N2N=C(CSC3=NN=C(SC4=CC(O)=CC=C4O)S3)SC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC(=CC1=CC=C(C=C(NC(C)=O)C2=NC3=CC=C(Cl)C=C3N2)C=C1)C1=NC2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)SC2=CC(C(=S)N3CCCCC3)=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2C(I)C3C4CCC3C2C14", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(C1=CC(S(=O)(=O)C2=CC=CC=C2)CN(CC2=CC=CC=C2)C1C1=CC=CC2=CC=CC=C12)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=NN(C2=CC=C(Cl)C=C2)C(=N)C2=C(N)N3N=C(C4=CC=CC=C4)C=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2C(CF)OC(N3C=C(Br)C(=O)NC3=O)C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC(C1=CC=CC=C1)N1C(=O)C(OC(C)=O)C(OC(C)=O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(=O)SC(=NCC2=CC=CC=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)NC(=S)N1C1=NC2=CC=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N(CN1C(=O)NC(=CC2=CC(C=C3NC(=O)N(CN(C(C)C)C(C)C)C3=O)=CC=C2)C1=O)C(C)C", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C1C(C2=CC=CC=C2)N1S(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=NC1=CC=C(C2=NCCN2)C=C1)C1=CC=C(C=NC2=CC=C(C3=NCCN3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C(=O)C1=CC=C(Cl)S1)C(=S)N(C)C(=O)C1=CC=C(Cl)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(SC2=NC(=CC3=CC=C(Br)S3)C(=O)N2CN2CCOCC2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(SCC2=CC=CC=C2)N(C2=CC=CC=C2)C(=O)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NNC1=NC(C)=C(C(C=CC2=CC=C(C=CC(=NNC(=O)C3=CC=NC=C3)C3=C(C)N=C(NNC(C)=O)S3)C=C2)=NNC(=O)C2=CC=NC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][U-5](=O)(=O)(O)(O)[O+]=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Zn-2]1(O)[S+]=C(NC3=CC=CC=C3)[N-][N+]1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1N=CN2C1OC2CSCC2(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C(=S)N=C1SSC(=S)N1CC1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=C(C)N=C(N2N=C(C3=CC=CC=C3)C=C2C2=CC=CC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NC(=O)C1=CN(CC(=O)NCC(=O)NCC(=O)N2CCN(CCN3C(C)=NC(C(N)=O)=C3N)CC2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(CC1=CC=C2OCOC2=C1)=NNC1=NCCCCN1;I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NN=CC1=CC=CC=N1)C(C)=NN=C(C)C(C)=NN=CC1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(N(CCC#N)CCC#N)=CC=C1C=C(N=[N+]=[N-])C(=O)NC(=O)COC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[CH2-][Tl-]1([CH2-])[O+]=C2C=CC=CC=C2[OH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2SC(C3=CC=CC4=CC=CC=C34)CC(C3=CC=CC4=CC=CC=C34)=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(N)=C(N=NC2=CC=C(S(=O)(=O)NC(=O)C3=CC=CC=C3)C=C2)C(O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCCC2(C1)OCC(O)CO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)N1N1CC1Br", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)NN=C(C(=O)NC1=NC(=S)NN1)C1C(=O)NC2=CC=CC=C2S1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]1ON=C2C3=NN(C4=CC=CC=C4)N=C3C=C[C-]21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCNC1=CC=C(C2=CC=CC=C2)N=C1N1CCN(C(=O)C2=CC3=CC(OC)=CC=C3N2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)CC(N=[N+]=[N-])C1=CC(OC)=C(OC)C=C1C=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(C2=C(C(=O)O)C(=O)C3=CC4=C(C=C3N2)OCO4)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;N=C(C=CC1=CC=C(C2=CN3C=C(C=CC(=N)N4CCCC4)C=CC3=N2)C=C1)N1CCCC1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(C2=CC=CC=C2)C(=O)N2C3=CC4=CC=CC=C4C=C3CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCC2C1C1C3=CC=CC=C3C(O)C3=CC=CC=C3C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OCCCCN1C(=O)C3=CC=CC4=CC=CC(=C34)C1=O)N=CC1CCCN1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N2COC3=CC=C4C=CC=CC4=C3C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=NN(CC2(COC(=O)C3=CC=CC=C3)CCC2)C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C(=CNC(=S)NC1=CC=C(S(=O)(=O)NC2=NC=CS2)C=C1)C(=O)NC1=CC=CC=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C(=O)C=CC(=O)C(C)(C)C2=CC=C(O2)C(C)(C)C(=O)C=CC(=O)C(C)(C)C2=CC=C1O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N=C2SC3=NC4=CC=CC5=CC=CC(=C45)N3C2=NC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C2CCC(COP(=O)(O)OCC3CCC(N4C=NC5=C(O)N=CN=C54)O3)O2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C(=O)N2CCN(CC3=CC=CC=C3)CC2)=C(C)O1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)C2C(C)=CC(C)=CN2C(C#N)=C(SC)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=C1CC(C)(C)N=C1CCN1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CN[Ni-4]23(N1)(NCCN2)NCCN3;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N(C1=CC=CC=C1)C1=CC(=O)N2C=CC=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)COC(CCCCCNC2=NCCCCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=C(Cl)C=C2OC2=C(CNC3=CC=C(S(=O)(=O)NC4=NC=CS4)C=C3)C=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1SC2(CCCC2)NC2=C1CCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1OC2OC(C)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1(C#N)C2(C#N)C(=N)NC(ON=C(C)C)(ON=C(C)C)C21C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2N=C3C=C(Cl)C=CC3=C(NCCCN(CC3=CC(OC)=C(OC)C(OC)=C3)CC3=CC(OC)=C(OC)C(OC)=C3)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN2C(=O)NNC(=N)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C=CC=CC=CC=CC=CC(=O)C1=C(O)C(CCC(=O)O)N(C)C1=O)=CC(C)C(OC1CC(O)C(O)C(C)O1)C(C)C;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1N=C2OC3C(O)C(CO)OC3N2CN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(Cl)=NC(NC(=O)NP(=O)(NC2=CC=CC=C2)NC2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC(C=CC1CCC(=O)C1CC#C[Si](C)(C)C)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1CN2CCC3(C(=O)NC4=CC=CC=C43)C2CC1C(=COC)C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(NC(=O)C(=O)NNC(=O)C2=CC=NC=C2)C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C12CCCCCCC1S(=O)(=O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOP(OCC)SSCN1N=C2C=CC3=CC=CC=C3N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=CC=C1C1C2=CC=C(Cl)C=C2OC2=CC(Cl)=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(C=C1C(=O)C(C2=CC=CC=C2)N(C2=CC=CC=C2)C1=O)CC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CN(C2=CC=CC=C2)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C(=O)OC1C=CC(O)C2C3C=CC(C3)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C2=CC=CS2)=CC(C2=CC=CC=C2)=C1C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OC1=C(OC(=O)C2=CC=C(N=NC3=CC=CC=C3)C=C2)C2=CC=CC=C12)C1=CC=C(N=NC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=NNC(=O)N1N1C(=O)C2CCCCC2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(OC3(C=C2)OC2=CC=CC=C2C(=O)N3C)C(C=NCC2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=CC=C1C(=O)OC1CC2CCC1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2[SH+][Sb+]3([SH+]C2=C1)[SH+]C1=CC=CC=C1[SH+]3;CC[N+](CC)(CC)CC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN=C(NCCN(C)C)CC1=CC1=CC=CC=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;COC1=CC(CNC2=NCCC2)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(C2=CSC3=NC(C4=CC=CC=C4)=NN23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C1OC2=CC=CC=C2C(O)=C1C(CC(CCN1CCCC1)=NNC1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(=O)N=C2C(=CN(CC3=CC=CC=C3)C3=CC=CC=C23)C(=O)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCC(OC2CSC2)OC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=CC2=C(C=C1C1SCCS1)OCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1O[Al]23(OC1=O)(OC(=O)C(=O)O2)OC(=O)C(=O)O3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N1CCN(P(=O)(NC2=CC=C3NC(NC(=O)OC)=NC3=C2)OC2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1=CC=CC=C1C(=O)NC1=CC=C(S(=O)(=O)C2=CC=C(NC(=O)C3=CC=CC=C3OC(C)=O)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C1CC3=C(C=CS3)CN1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C2NCN(C3=CC=CC=C3Cl)C3=C2C(=NC(SC)=N3)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=C2OC3=CC=CC=C3NC2=C(Cl)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(C)(N=CC1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)C2=CC=CC=C2C(=O)O)C2=CC=CC=C2N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CC(NC(=O)C(CSC1=CC=C([N+](=O)[O-])C=C1)CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1O[Cu-3]2(NC3=CC=CC=C13)NC1=CC=CC=C1C(=O)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C2C=CC=CC2=C2C(=C(C3=CC=CC=C3)C(C3=CC=CC=C3)=NN2C2=CC=CC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=NSC(Cl)=C1Cl)N1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)OCC2=C(C)C(C)=C(COS(=O)C3=CC=C(C)C=C3)C(C)=C2C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C(OC)=C1OC)C(C1=CC=C3OCOC3=C1)C1COC(=O)C1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;N#CC(=C1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NN=C1CCCC2=[N+]([O-])ON=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(C2=CC=CC=C2)OC(N2CCOCC2)C(C)(C)CN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C3C(=C1OC)C(=NOS(=O)(=O)C1=CC=C(C)C=C1)CC3N(S(=O)(=O)C1=CC=C(C)C=C1)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(C1=CC=CO1)C(F)(F)C1=NC2=CC=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC=C2N=C3C=CC(C(=O)NCCN4CCN(C5=CC=CC=C5)CC4)=CN3C(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=NC=CS1)C1=C(O)N=C2SC=CN2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C1=CC=CC=C1)C1C(=O)N(C2=CC=CC=C2)C1C=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2(CC(C)(C)C3=CC(O)=C(O)C=C32)C2=CC(O)=C(O)C=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(SCCS2)C(=O)C2=C(SC3=CC=C(Cl)C=C3)C(SC3=CC=C(Cl)C=C3)=C(SC3=CC=C(Cl)C=C3)C(SC3=CC=C(Cl)C=C3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3C(CCC4C(C)(C)CCCC43C)(CC1=O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OCCN1C(=O)C3=CC=CC4=CC=CC(=C34)C1=O)N=CC1CCCN1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)OCCOS(=O)(=O)C1C1C2=CC=CC=C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2(O)C(=O)C(C)CC3C(CCC(C)(O)C=C2C1=O)C3(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)NC1=C2SC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C#N)C(=O)N(N=CC2=CC=C(Cl)C=C2)C(=O)C1=C1OC(=C2C(=O)N(N=CC3=CC=C(Cl)C=C3)C(=O)C(C#N)=C2C)C2=NC=CN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1[PH](F)(F)[Ni-2]2([PH](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[PH](F)(F)N(C)[PH](F)(F)[Ni-2]([PH](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)([PH]1(F)F)[PH](F)(F)N(C)[PH]2(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C(C1CC1)ON(C)CC2", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCCC12CN(CC1=CC=CC=C1)N=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=CC2OC2C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)SC(NC(=O)C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CC(=O)C2=C1C=CC1=C2N(C2=CC=CC=N2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC3=C(C=C2CC12CC1=CC=C4CCCC4=C1C2=O)CCCC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1(CCC)C2=CC(C=NO)=CC=C2C2=CC=C(C3=CC=C(C(C)(C)C)C=C3)C=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC2=C3C=CCOC3=C3C=CCOC3=C2C(=O)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC3=C(C=C2CC12CC1=CC=C4CCCC4=C1C2=O)CCC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(N2N=NC(C(=O)O)=C2C2=CC=CC=C2)=C2C=CC(Cl)=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C(=CNC(=S)NC2=CC=C(S(=O)(=O)NC3=NC=CS3)C=C2)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=CC=CC=C2C=[N+]1CC(=O)CC([O-])(C(F)(F)F)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCC2CC3=C(C=CS3)C(C3=CC=CC=C3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1)C1=CC(S(=O)(=O)N2CCNC2=O)=C(S)C=C1Cl", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2C=C(C(C)(C)C)C=C1CSCC1=CC(C(C)(C)C)=CC(=C1OC)CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C#N)=C1C=CC(=C(C#N)C#N)C2=NSN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC(=O)NN=C(CN2N=C(C3=CC=CC=C3)C3=CC=CC=C3C2=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CCC2=CC3=C(C=C2O1)OC(=O)C(C1=CC=CC=C1)=C3O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N2CCOCC2)CCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NC2=CN=C3C=CC=CC3=C2SC1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(SC(SC2=NNC3(C(=O)N2)C2=CC=CC=C2C2=CC=CC=C23)=C(SC2=NNC3(C(=O)N2)C2=CC=CC=C2C2=CC=CC=C23)SC2=NNC3(C(=O)N2)C2=CC=CC=C2C2=CC=CC=C23)=NNC12C1=CC=CC=C1C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(N)=C(CCCCC2=CC=CC=C2)C(CC2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC=C1C1OC1C(=O)C1=CC=CC=C1N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(C2(C)C=CC(=O)OC3(C)COC(=O)CC32)C(OC=O)C(OC(=O)C(O)C(C)CC)C2(C)C(C3=COC=C3)CC(OC(C)=O)C12O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CC(C(CC1=CC=CC=C1)=NNC(=O)C1=CC=NC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=CC=CC(CC)=C1N1C(=O)C2=C(SCCCS2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)COCSCC(NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(N)CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)OC(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1O)N=CC1CCC(O)N1C2=O;COC1=CC2=C(C=C1O)N=CC1CCC(O)N1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(C=CC3=C2C2=CC=CC=C2N3)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C(NN=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NOC(=O)C12CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(N=[Se](=O)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=CC2=C1NC1=C(CCCC1=CC1=CC=CC=C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2CC12CCC1(CC2)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C)=C2C(=O)C3=C(OC2=C1)C(=O)C1=C(OC)C(OC)=CC(OC)=C1C3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N(C(C)=O)C1=C2C3=CC=CC=C3N(S(=O)(=O)C3=CC=CC=C3)C2N2C(=O)N(C3=CC=CC=C3)C(=O)N2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CN1C2=CC=C(Br)C=C2C2=NC3=CC=CC=C3N=C21)NNC(=O)NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)CCCC1=CC3=CC=CC=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CCN(CCC2=CC=CC=N2)CCC2=CC=CC=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CCCN(CCC#N)C1=CC=C(C=C2N=C(CN3C(=O)C4=CC=CC=C4C3=O)OC2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCCC2(CCCC3=CC=CC=C32)C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3C(CCC4C5=NON=C5CCC43C)C1CCC(=O)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)NC(=O)C2(CC(OC(=O)C3=CC=CC=C3)C=C2C=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(C2=CNC3=CC=CC=C23)=CC2=NC3=CC=CC=C3C21O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C(C2=[N+]([O-])ON3CCC4=CC=CC=C4C23)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(C)(C)C2=NCCN21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C2=C(C1)SC(=C1SC3=C(S1)C(=O)CC(C)(C)C3)S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH]2(C3=CC=CC=C3)CC[SH+][Ni-2]23[SH+]CC[PH]3(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(O)=C(NC2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=NC2=C(C3=C1CCCCCCCCCC3)C(=O)N(C1=CC=CC=C1)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(N1CC1)(N1CC1)N1CCN(P(=O)(N2CC2)N2CC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2C(C3=CN(C4=CC=CC=C4)N=C13)C1C2C2C=CC3C(C=C2)C31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CC1=CC2=CC3=CC=CC=C3C=C(C=C(C=O)C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)SC(NC2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1CC(F)C(N2C=NC3=C(NOCC4=CC=CC=C4)N=CN=C32)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)OC2CC(CCC(C)C=CCC1)OC(O)(C1CSC(=O)N1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2CN(C3=NCCO3)CCC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1C2CCC3C45CC(C6=COC=C6)OC4OC(O2)C13CCC5C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C(NC(=O)OCC2=CC=CC=C2)C(=O)O)ON1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(SCCN(C)C)N=C3C=CC=CC3=C2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CCCC(C)C1CCC2C3CCC4CC(=C(C5=CC(Cl)=C(O)C(C(=O)O)=C5)C5=CC(Cl)=C(O)C(C(=O)O)=C5)CCC4(C)C3CCC12C;N", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=CC=C1)NCCC1(O)C(=O)NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN=C2C3=NC=CN=C3C(=N)NN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCOC2(CCC3(CC2)OCCCCO3)OC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2CC3OC3CC2C(=O)N1CN1C(=O)C2CC3OC3CC2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(C#N)N=CN2N=C(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(OCC1CC=CCC1)SC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C2CCCCCCCCCCC2=C(COC(C)=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1OCN2CSCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2NC3=C(C(=O)C4=CC=NC=C4C3=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C(C=NC1=CC=CC=C1)C=NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CN=CN=C2SC2=NC3=CC=CC=C3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1COC(C2=CC=C3C=CC=CC3=C2C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=CC=CC=C23)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)COC(C2=CC=C(C(F)(F)F)C=C2C(O)C2=CC=C3C=CC=CC3=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCC#N)CCCCN(CCC#N)C(=O)NC(CC1=CC=CC=C1)C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C#N)=C1NC2=CC=CC3=C2C2=C(C=CC=C2C3=C(C#N)C#N)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC(COC(=O)C=CC1=CC=C(O)C=C1)OC1OC(CO)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C(=O)OC1=C(C2=CC=CC=C2)C(=O)N2C3=CC=CC=C3N3C(=O)N(C)C(=O)C1=C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NC2=S(N=C(NC3=CC=CC=C3)N2C2=CC=CC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(NN=C2CC(C3=CC=CC=C3)OC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C12C3CCC(CC3)C1(C(=O)O)C1CCC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=CCO)CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NN1C(C2=CC=CC=C2)=NN(C(=O)C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC(NCC2(CO)CCC2)=CC(OCC2(CO)CCC2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2N2C3=NC=CC=C3C(=NCCCC(=O)O)C(C#N)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC(O)=C2C(N=NC3=CC=C(NC4=CC=CC=C4)C4=C(S(=O)(=O)O)C=CC=C34)=CC(S(=O)(=O)O)=CC2=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CSC(=NC2=CC=CC=C2)N1C1=CC=C(N2C(C3=CC=C(N=CC4=CC=C(Cl)C=C4)C=C3)=NC3=CC=CC=C3C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1CCCCN1C1=CC=CC=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=CC2=NSN=C2N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)C(CC(=O)N2CCCC2)C(=O)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]12CCC(C3=CC=CC=C3)(CC1)C(O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2C(=O)N(CC3=CC=CC=C3)C(=O)C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C[PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pt-4]23([PH]1(C1=CC=CC=C1)C1=CC=CC=C1)([PH](C1=CC=CC=C1)(C1=CC=CC=C1)C=C[PH]2(C1=CC=CC=C1)C1=CC=CC=C1)[PH](C1=CC=CC=C1)(C1=CC=CC=C1)C=C[PH]3(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2CCC(O)C2C(CCO)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C2C3=CC=CC=C3C3=CC=CC=C3C2(O)C(C(=O)OC)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC23CC(C=CC=C12)N1C(=O)N(C2=CC=CC=C2)C(=O)N13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(Br)=CC=C1N=NC1C(=O)ON=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1COCCSC2=C(SCCO1)SC(=C1SC3=C(SCCOCCOCCS3)S1)S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(C=C(OCC(=O)N(CC5=CC=CC=C5)CC5=CC=CC=C5)C4=C3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1C(=O)C2=CC=CC3=C2C1CCCC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CSCCSCCSCCSCCSCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1OC(O)C(N=CC=CC2=CC=CC=C2)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Ni-4]13(O)([O+]=C(N)[N-][N+]1=C2)[N+]1=CC=CC2=CC=C4C=CC=[N+]3C4=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(OCC#CCOC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(=O)C(CCN1CCC(N2C(=O)NC3=CC=CC=C32)CC1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC=CC(OCC1=CC=CC=C1)C(C=CCO)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=NC2=CC=C(NC3=CC=CC=C3)C=C2)OC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC(Cl)=CC=C2N2C(=NOC2=O)C2CSCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=CC=C1S[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(NC(=O)C(=NNC(C)(C)C)C2NC(=S)NC2=O)=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)OCCC2CN(C(=O)OCC3=CC=CC=C3)C(C)(C)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1CC2CCN3CC4=CC5=C(C=C4C(C1O)C23)OCO5", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(CCC(Cl)C(COS(=O)(=O)C1=CC=C(C)C=C1)OC(CCCO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)OCC)[Si](C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)N(C2=CC3=CC=CC=CC3=N2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(C2CC3=CC=C4C=CC=CC4=C3C2=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1)N1OC1(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)C(CC2=CC=CC=C2)NC(=O)C2=CC=CC=C2)CCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=S)N1CCN(C(=S)NN=C(C)C2=CC=CC=N2)CC1)C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C=CC=CC2=N[C-](CSC2=NNC(=S)S2)[N+]1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(S(=O)(=O)OC2=CC=CC=C2)=COC2=CC(F)=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C2C(NCCCCN=CC3=CC=CC=C3)=CC=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CCC(C=CCC(O)CC(O)C=CC2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CN(CC(=O)O)C1CCCCC1N1CC(=O)OC(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN(C2=NC=C3C(=N2)SC2=C3N=CN(C3=CC=CC=C3)C2=O)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CC1=C(C2=C(CC(=O)OC)C3=CC=CC=C3N2C2OC(COC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C(O)C2O)NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1C(O)=C(C(=O)NCNC2C(=O)N3C2SC(C)(C)C3C(=O)O)C(=O)C2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4C(C)(O)C3CC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(O)C2ON=C(C3=CC=CC=C3)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)NN(C(=O)OC)C1=C(C2=CC=CC=C2)N=C(SC)N1N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)NC1=C(N3CCOCC3)N=NC(N3CCOCC3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC=C(C(C2C(=O)NC(=O)NC2=O)C2C(=O)NC(=O)NC2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=CC=C1)CSC1=NC=NN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=CC1=CC=C(C=C(NC(=O)C2=CC=CC=C2)C2=NC3=C(N2)C(=O)C2=CC=CC=C2C3=O)C=C1)C1=NC2=C(N1)C(=O)C1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(C=CC1=CC=CC=C1)C1=CC(CN2CCOCC2)=C(O)C(CN2CCOCC2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC(C(=O)NC2=CC=C(C3=NCCN3)C=C2)=C1)C1=CC=C(C2=NCCN2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=C([P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C=C2)C=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC12CCC3(O)C4=CC=CC=C4C3C1C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1C1OC(C2=CC=CC=C2OC)C2CCN(C)C2(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C)C=C1C1CCC(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(O)C(=NO)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=NC(=CC2=CC([N+](=O)[O-])=CC=C2O)CN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(OC4=CC5=C(C=C4OC)CCN(C)C5C2)C2=C(C=C3CCN1C)OCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1=[S+][Co-4]23(NC4=CC=C(N(CCCl)CCCl)C=C4N2)([S+]=C(N(CC)CC)[SH+]3)[SH+]1;[O-][Cl+3]([O-])([O-])[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=C(OC)C=C(C2=NN3C(=O)C(CC)SC3=N2)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+](C)(CCCN1C=CN=C1[N+](=O)[O-])CCCN1C=CN=C1[N+](=O)[O-];[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC(CN2CCOCCOCCOCCOCC2)=C(O)C=C1CN1CCOCCOCCOCCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1OC2CCCCC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2C(C#N)CC(COC(=O)C3=CC=CC=C3)C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CN1CC(=O)N2CCCN2C(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C(=O)CC(=O)NC(=O)C=CC2=CC=CC=C2)C(=O)C1N=NC1=CC=C([N+](=O)[O-])C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC=C(S(=O)(=O)NNC(=O)NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2CCC1N1C(=O)N(C3=CC=CC=C3)C(=O)N21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O;O=S(=O)(O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=C2C=CC=CC2=CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC(OC)(C(O)C(=O)NC(OC)C2CC(O)C(C)(C)C(CC(COC)OC)O2)OC(C)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CN1CCCC1C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C2CCN(CC2)C1CNC12CC3CC(CC(C3)C1)C2", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(NC(=S)NN=C2CC(C3=CC=CC=C3)OC3=CC=CC=C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=CC=C1C(=O)NC(CC1=CNC=N1)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=CC=C1CC1CC2=CC=C3CCCCC3=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCCC(=O)NC1=CC=C(Cl)C=C1Cl)CC(=O)C1=CC=C2C=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CCCC2SC3=CC=CC4=CC=CC(=C34)S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=N1)C1=CC=CC=C1[Se][Se]C1=CC=CC=C1C(=O)NC1=CC=CC=N1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1C(O)=C(C(=O)NCNC2=NC(O)=C3NN=NC3=N2)C(=O)C2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4C(C)(O)C3CC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2CC(C(S(=O)(=O)N3CCOCC3)C2=NO)C1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)N(CC2=CC=CC=N2)C2=C1S(=O)(=O)C(C#N)=NN2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N2C3C=CC(CC3)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=[N+]([O-])C1=CC=CC2=NC3=CC=CC=C3C(NCCC3=CC=CC=[N+]3[O-])=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1CCN2CN(C3=CC=C(OC)C=C3)N=C(C3=CC=CC=C3)C12C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(SC(CCC(SC2=CC=C(C)C=C2)SC2=CC=C(C)C=C2)SC2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;C1=CC2=CC(=C1)CNCCNCCNCC1=CC=CC(=C1)CNCCNCCNC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FB(F)F;O=[N+]([O-])C1=CC=CC=C1P1(=O)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1C=CC2=C(N=C3C=CC=C[C-]3[N+]2=O)N1CC1=CC=NC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC=CC2=C(C)C3=C(C=C12)C1=CC=CC=C1S3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(O)C1OC2CCC3(C)C(O)(CCC4CC5=C(NC6=CC=CC=C56)C43C)C2=CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CN1C2=CC=C(Br)C=C2C2=NC3=CC=CC=C3N=C21)NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC2=CC([N+](=O)[O-])=CN=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C2C(=N)C3=CC=CC=C3N(CCCCCCO)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=NC(N)=NC2=C1CSC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C3=CC=CC=C3C(OC=O)(C3=CC=CC=C31)C1(C)C3=CC=CC=C3C2(OC=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CN(C2=CC=CC=C2)C2(CCN(CCCC(=O)C3=CC=CS3)CC2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=C(O)C=C(O)C(C2=C(C)C=C(O)C3=C2C(=O)C2=CC=CC(O)=C2C3=O)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NOC(C2=CC=C(C(=O)C(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)N2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=C(N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2(NC3=CC=CC=C3N2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(C2=CC=CC=C2)[OH+][B-]([FH+])(C2=CC=CC=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(C)=C1NC(=O)C(=O)CC(=O)C=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1N=NC1=C(S(=O)(=O)O)C=C2C=C(NC(=O)NC3=CC=C4C(O)=C(N=NC5=C(N)C=CC6=CC(S(=O)(=O)O)=CC=C56)C(S(=O)(=O)O)=CC4=C3)C=CC2=C1O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C)CCCC2(C)C3(O)C(C)C(=O)OC(C4=COC=C4)C3C(OC(C)=O)C12O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C(=NNC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=C(Cl)C=C1)N(C(=S)N1CCN(C2=CC=CC=N2)CC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=NC=CN2C(Cl)=C1Br", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CSC(=S)N1C(=O)N1C(=S)SCC1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(NS(=O)(=O)C2=CC=CC=C2)=C(N2C=CN=C2)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;COC1=CC=C(C2=CSC(=NC3=CC=CC=C3)N2CC(O)C2=CC=C([N+](=O)[O-])C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N2CC(CI)OC2C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[BH3-][N+]1(C)CC[N+]([BH3-])(C)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)N1CC(=NNC2=CC=C(Cl)C=C2)C2=C(C1)NC1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(C#N)=CC1=CC=C(SCC2=CC=CO2)C([N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=C1SC2=NCCCCN2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C=C(C#N)C2=CC=C(Cl)C=C2)=CC=C1OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(CCCCO)C=CC(S(=O)(=O)C2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(NS(=O)(=O)C2=CC=CC=C2)N(S(=O)(=O)C2=CC=CC=C2)C(C#N)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC2(O)C(=O)C3=CC=CC=C3C2(O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NC1=CC=C(Br)C=N1)NC1=CC=CC=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=O)CC2(O)C(=O)N(CN3CCOCC3)C3=CC=C(Br)C=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(CN2CCN(C)CC2)C(O)=C2C(=O)C3=C4C(=C(O)C(CN5CCN(C)CC5)=C3O)C3=C5C(=C(O)C(CN6CCN(C)CC6)=C3O)C(=O)C3=C(O)C(CN6CCN(C)CC6)=C(C)C6=C1C2=C4C5=C36", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(N2C(=O)C(C)=CC2O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(O)C(O)COC1=C2OCOC2=CC2=C1C=CC(=O)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=CP(C1=CC=CC=C1)C1=CC=CC=C1)P(C=CP(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=NN(CC2=CC=CC=C2)C(=S)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC12CCCC(=O)C1C1CCC=CCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;C[N+]1=C2C=CC=CN2C=C1COC1=CC=C(C=NNC(=O)C2=CC=CC(C(=O)NN=CC3=CC=C(OCC4=CN5C=CC=CC5=[N+]4C)C=C3)=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=CC2=NC3=CC=CC=C3C(NCCCCNC3=C4C([N+](=O)[O-])=CC=CC4=NC4=CC=CC=C34)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1C(OCC2=CC=CC=C2)OC(COC(=O)CCCCCCCCCCNC(=O)CCNC2=CC=C([N+](=O)[O-])C3=C2C(=O)C2=CC(O)=CC=C2N3)C(O)C1OC(C)C(=O)NC(C(=O)NC(CCC(=O)O)C(N)=O)C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)C1CCC(CC(=O)OC2=CC=C([N+](=O)[O-])C=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C2C=CC3CC2(O1)C1CCCN31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NNC1=NC(C2=CC=CC=C2)=CS1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OC1=CC=C(N=CC2=CC=C3OCOC3=C2)C=C1)OC1=CC=C(N=CC2=CC=C3OCOC3=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C(=O)OCC(C3=CC=CC=C3)N1C(=O)N(CC1=CC=CC=C1)C2CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=NN2C(=O)C3=C(N)C(C#N)=C(C4=CC=CC=C4)C(C4=CC=CC=C4)=C3C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2NC3=C(C)C4=CC=NC(NCCCN(C)CCCNC5=CC=C6N=NN7C8=CC=CC=C8C(=O)C5=C67)=C4C(C)=C3C2=C1;CS(=O)(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NC2=[N+]([O-])C3=CC=C(Cl)C=C3[N+](=O)[C-]2C#N)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)C1=N[Rh-4]34(N=C1C1=CC=CC=C12)([N+]1=CC=CC2=CC=C5C=CC=[N+]3C5=C21)[N+]1=CC=CC2=CC=C3C=CC=[N+]4C3=C21;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=[N+]2CC[N+]3=CC=C(C)C=C3C2=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=CC=C(NC2=CC(O)=NC(SCC3=CC=CC=C3)=N2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C(O)(C2=C3OCOC3=C(C3(O)C(=O)N(C)C4=CC=CC=C43)C3=C2OCO3)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=NC3=C(N=C2N(C)C1=O)N(C)C(=O)C1=CC=CC=C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=NC=CN1CCC[N+]1=CC=CC2=CC=CC=C21;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ONC1=NC2=CC=CC=C2OCC2=CC(Br)=C(Br)C=C2COC2=CC=CC=C2N=C1NO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2SC(=O)CCCC[N+]2=CC=CC=C2)C=C1;[Br-]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]12CCCCC1CC2", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)[O-])C=C1;C[N+]1=C2C=CC=CN2C=C1C=NNC(=O)C1=CC=C(C(=O)NN=CC2=CN3C=CC=CC3=[N+]2C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "SC1=NC(S)=NC(OC2=CC=C(Cl)C(Cl)=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC=C1NC(=O)C(=O)C1CN(C2=CC=CC=C2)NC1=N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C(NN=CC2=CC=CC=C2)C(C2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC=CC=C2N1CCCN1C(=O)OC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(N)=NC(C2=CN=CC=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NN=C(C2=CC=CC=C2)N1N=CC1=CC=NC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCCC3(CC(=O)C(C)(C)C3C(=O)C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1(C2=CC=CC=C2)CC2CCC(C1)N2CCCC(O)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C[N+]23CC[N+]45CC(=O)O[Ca-4]24(O1)(OC(=O)C3)OC(=O)C5", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2CCCCN(S(=O)(=O)C3=CC=C(C)C=C3)CC3=CC=CC=C3OCCOCCOC3=C4C=CC=C3CC3=CC=CC5=C3OCCOCCOC3=CC=CC=C3CN(S(=O)(=O)C3=CC=C(C)C=C3)CCCN(S(=O)(=O)C3=CC=C(C)C=C3)CC3=CC=CC=C3OCCOCCOC3=C(C=CC=C3C4)CC3=CC=CC(=C3OCCOCCOC3=CC=CC=C3C2)C5)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CN=CC(CN2CCCC2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CCCCCCC2OC2CCCCCC(C)(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=CC=CC=C2C12C(C1=CC=CC=C1)CC(=O)N1C3=CC=CC=C3CC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1SC2(CCCCCC2)NC2=C1CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCN(CCCCN(CCCNC(=O)C1=CC(S(=O)(=O)O)=CC(O)=C1O)C(=O)C1=CC(S(=O)(=O)O)=CC(O)=C1O)C(=O)C1=CC(S(=O)(=O)O)=CC(O)=C1O)C1=CC(S(=O)(=O)O)=CC(O)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CCC1(C)C(O)(C1=CC=CC=C1)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1SSC2=NC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)NC2=CC=CN=C2Cl)N(C2=CC=C(OC)C=C2[N+](=O)[O-])C(C2=CC=C(C)C=C2)=CC1C1=CC=C(OC)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=C(C(=O)N(C)C1=O)N1CCC(=O)N=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(SC(NCC3=CC=CC=C3)=N2)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C2C(=C1)N=NN1N=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC12CCCC1C1(O)C(O)CCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;FC1=CC=C(C2(CCCN3CCC4=C(C3)C3=CC=C(F)C=C3N4)OCCO2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NCCN1C1=NC=C([N+](=O)[O-])S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CN=C2N=CN1CCCN1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)N1N=NN=C1C1=NN=NN21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CN(C1=CC=CC=C1)C1=C([N+](=O)[O-])C=C([N+](=O)[O-])C2=NCN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CNC=C1CCC1=CNC=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CON=C(C(=O)NC1=C[N+](CC(=O)[O-])=CS1)C1=CSC(=N)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(C=C(CC3=CC=CC=C3)C(=O)C(CC3=CC=CC=C3)=C2)C(=O)C2=C1C=C(CC1=CC=CC=C1)C(=O)C(CC1=CC=CC=C1)=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CN1CCN(CC(C)NC2=CC=NC3=CC(Cl)=CC=C23)CC1)NC1=CC=NC2=CC(Cl)=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(OCC2=CC=CC=C2)=C2NC=NC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCC1C2=CC3=NC(=CC4=C(C)C(CCC(=O)O)=C(C=C5N=C(C=C(N2)C1(C)CC(=O)N(C)C)C(C)=C5CCC(=O)O)N4)C=C3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NN(C3=CC=CC=C3)C3(S2)SC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CC1=C(OC)C=CC2=C1C1=CN=C3C=C(Cl)C=CC3=C1N2;CCN(CC)CC1=CC2=C(C=C1OC)C1=CN=C3C=C(Cl)C=CC3=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(NN=CC1=CC=CC(C=NNS(=O)(=O)C2=CC=CC=C2)=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C(CO)CC(O)C(=O)C(C)(C)O)C12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=NC3=CC=CC=C3N2C(C)(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC(O)=NC(NCCNCCO)=C1C(=O)NC1=CC=CC2=CC3=CC=CC=C3C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC12OC3(C(CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1C(=O)OC1=CC=CC=C1)C1OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=S)N1CC2CCC(CC2)C1)C1=NC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(=O)OC2C1C(OC(=O)C(=CC)COC(C)=O)CC1(CO1)C1C(OC(=O)C(=CC)CO)C=C(C)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C12CCC(=O)C=C1C(C)C(=O)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)OC2C(O)C(CO)OC2N2C(Br)=C(C(N)=O)C3=C(N)N=CN=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C2=CC=CC=C2)OC2=C(C(=O)OCCN3CCCCC3)C=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2OCN(C(C)C3CCC4C5CCC6CC(O)CCC6(C)C5CCC43C)CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C(=O)NC3=CC=CC=C3C(=O)N2C2=CC=C(Cl)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NCCNC(C)C1=CC=CN=C1)C1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CSSCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)OC(C)(C)C)N1C(=O)CCC1=O)NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=NC1=CC=CN=C1)C1=CC=C2C=CC=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)CC(=NC2=CC=C([N+](=O)[O-])C=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CC1CC(=O)C1(C)SC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CSC1=NN=C(C=CC2=CC=CC=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(C1=CC=CC=C1)C(C1=CC=C2C=CC=CC2=N1)S(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC=C([Si](C)(C)C)CC(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(NC(C)C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CC1=CC=CC=C1)NC1=NC=NC2=C1N=CN2C1OC(CO)CC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C(=O)C(C)C(O)C(C)CCC1=CC=C(C)C(O)=C1C(=O)O)C1OC(CC)(C2CCC(O)(CC)C(C)O2)CC1C", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(C2(O)C(=O)N(C)C3=CC=CC=C32)C(=O)C(OC)=C(C2(O)C(=O)N(C)C3=CC=CC=C32)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CC1=NC(C2=CC3=CC=CC=C3N2)=C(CC(C)C)N=C1C1=CC2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1CCCCCC(Br)C12OCCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)[C-](C2=CC=CC=C2)[N+](=O)C(C)(C)N1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(N2CCOCC2)N=C(O)C(C(C2=CC=CS2)C2=C(O)N=C(N3CCOCC3)C(C(=O)OCC)=C2O)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=NNC2=C1C(=N)SC(=S)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2(O)C3=CC=CC=C3C(=O)C2(O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CC1=C(O)C(C(=O)NC2=CC=C3NC(=O)NC3=C2)=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1(C(=O)OCC)C(C(C)(C)C)=C(C)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C(=O)N(CCCCN3CCN(C4=CC=CC=C4)CC3)C(=O)C2=C(C)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=C1C2C(C13C(=O)OC(C)(C)OC3=O)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC=CC=C1C(Cl)(Cl)C1=CN=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(C(=S)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)OC)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(Cl)C2OC(=O)C(C)C2(O)C(OC(C)=O)C2C(C)(O)C(OC(=O)CCC)CC(OC(C)=O)C2(C)C(OC(C)=O)C2OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1(CC2=CC=CC=C2)CC12CCCCC2;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=NC(NC(NC(=O)C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2(C)CCC1C(O)C2N1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C(SSC2=NC(=O)N(C3OC(CO)C(O)C3O)C=C2)C=CN1C1OC(CO)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Ni-3]1(O)([N+]3=CC=CC=C3)[S+]=C(N)[N-][N+]1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1=C(C2=C(N(CC)CC)C(OC(C)=O)=C3SC=CN3C2=O)C(=O)N2C=CSC2=C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(COC1CC2CC1C1CC3OC3C21)OCCOC1CC2CC1C1CC3OC3C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(NC(=O)C(=CN2C(=O)C(=CC(C)=CC3=CC=CC=C3)SC2=S)C(C)=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O[Co-2]12[OH+]C3=C(C=[N+]1C1=CC=CC=C1)[N+]2=CC=C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C2CCCCCC2=[N+]2CCCCC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1C(=NN)CN2CCC3=C(NC4=CC=CC=C34)C12C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CC=C2C=CC=CC2=C1)C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C)N=C(S)C(C#N)=C1C1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C[N+]1=CC=CC=C1)NNC(=O)C(=CC1=CC=C2OCOC2=C1)NC(=O)C1=CC=CC=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=C[Se]C(C2OC(COP(=O)(O)CP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(O)C2O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[O+][Cu-3]2([O+]=C(C)CC(NC3=CC=CC=C3)=[O+]2)[O+]=C(NC2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=CC=C(C2(Br)C(=O)NC(=O)C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2C3=CC=CC=C3C(=O)[OH+][Cu-3]2(O)[OH+]C2=CC=C3C(C)=CC(=O)OC3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C12CCC1(C(=O)OC)C1(C)OC(=O)C=C(C)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1N=C(C)C2ON=C(C3=CC=C(Cl)C=C3)P21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCN1CCCN=C1C=C2C(=NC3=CC=CC=C3N2C2=CC=C(Cl)C=C2)C=C1NC1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CN(C(=O)CCC2=CC=CC=C2)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC[Sn]1(CCCC)SCCN1S(=O)(=O)C1=CC=C(C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N=C2SC(C3=CC=CC=C3)CN2C23CC4CC(CC(C4)C2)C3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(NC2=CC=CN=C2)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(CCN1CCOCC1)(C1=CC=CC(Cl)=C1)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CO1)N(CC1=CC=CO1)C(=S)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1C(=O)N2C(N(C)C)=NC3=CC=C(C)C=C3N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC(=O)C2=NC(C3=CC=CS3)=C(C3=CC=CS3)N=C2N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)[N+]1(C)CCC3OCCC4C[N+]5(C)CCC26C5CC4C3C61", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C(CSSCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O)N1C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1)N(CCCCN(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1)CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CC1C(C(=O)N2CCCCCC2)C1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N2N=NC3CCCC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1C(Cl)C2CC1C1CC3OC3C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C(=CN1C(=O)C=CNC1=S)C(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C#CC(OC(=O)NC1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(C)=C1NC(=O)CCCC(=O)C1CC(=O)CCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N(C1=CC=CC=C1)C1(C2=NN=NN2C2CCCCC2)CCN(CC2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(NC2C3CC4CC(C3)CC2C4)=NC(C2=NNC(=S)O2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(C)=C1NC(=NC(=O)C1=CC=CC=C1C(=O)N=C(NNC1=C([N+](=O)[O-])C=CC=C1[N+](=O)[O-])NC1=C(C)C=CC=C1C)NNC1=C([N+](=O)[O-])C=CC=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)SCC(COC(=O)C2=CC=CC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1C12OC(=O)C1(C)OC1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCNC(=S)NNC(=O)C1=CSC(NC(=S)NC2CCCCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NNC3=CC=CC=[N+]3C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCC(SC2CC3=CC(Cl)=CC=C3SC3=CC=CC=C32)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)C=CC1OC(C(C)=O)(C(C)=O)C(C=O)=CN21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)CC1=NC(O)=C2C(C3=CC=CC=C3)=C(C)SC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC(=CC2=CC=CO2)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2=NNC(=O)N2N2C(=O)C3=CC=CC=C3C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(COC1=CC(=O)OC2=CC=CC=C12)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C(=O)O;O=C(OCCN1CCOCC1)C1CC(O)CN1C(=O)C1=CC=C2OCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(NC(=O)C2=CC=CC=C2)N(C(=O)C2=CC=CC=C2)C(C#N)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC(C2=CC=CC=C2)=NC(NC2=NC3=CC=CC=C3N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=S)NC2=CC=C(Cl)C(C(=O)OC3CCCCC3)=C2)C=CO1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2OC(C3=CC=CC=C3)OC2CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NNC(=S)NCCCN2CCN(CCCNC(=S)NN=C(C)C=NNC(=S)NCCCN3CCN(CCCNC(=S)NN=C1)CC3)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCN(CCNC(=O)C1=CC=CC(=O)N1O)CCN(CCNC(=O)C1=CC=CC(=O)N1O)CCNC(=O)C1=CC=CC(=O)N1O)C1=CC=CC(=O)N1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=C2C=C1N=C1C(C#N)=CNC(=S)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2C3C1N(C1=CC=C(Cl)C=C1)C1(NC4=CC=C(Cl)C=C4)C(=O)CC(C31)N2C1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C3C(=CC=CC3=CC=C2)C(=O)N1CCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CC1CN=C(NC(=O)NC2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=CC2=[N+](C)C1[C-](C#N)C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NN=C1CCC2=CC=CC=C12)NN=C1CCC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C)C1C(=N)NOC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1C(=N)C2=CC=CC=C2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NNC(=O)C(=O)NN=C(CCC(=O)NC1=CC=C(Cl)C=C1)CC1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)OC3(C)C1C2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(F)C=C1)N(C1CCCCC1)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(C2C3=CC=CC=C3CCN2C(=O)OC(C)(C)C)C(=O)C(C2=CC=CC=C2)=C1N(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=C2SC(=S)N(C=C3C(=O)NC(=S)NC3=O)C2=O)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ON=C(NC1=CC=C(C2=CC=C(NC(=NO)C(=NO)C3=CC=CC=C3)C=C2)C=C1)C(=NO)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C3=CC=C(OC)C(=O)C=C3C(NC(=O)COC3=CC=CC=C3)CC2)C(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C#N)=C1C=CC(=C2C=CC(=C(C#N)C#N)S2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C)(C)C1=CC2=C(O)C(=C1)C1(CC(C)(C)C3=CC=C(O)C1=C3)SS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C(=O)C1=CC=CS1)C(=S)N1CCN(C2=CC=CC=N2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC2(CCCCC2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=CC=C(C2=NN=C(C3=CC(C#N)=CC(C4=NN=C(C5=CC=C(C(C)(C)C)C=C5)O4)=C3)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NC1=NC2=CC(CN3C=CC=C3)=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C2=NC(O)=C3C=CC=CC3=[N+]2C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C=C2C3=CC=CC=C3CC2C2C(=O)OC(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=C3CCCCC3=NO2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(Cl)=CC(OCC2(CO)CC=CC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCC1=CC(O)=CC(O)=C1)NCCC1=CC(OCC2=CC=CC=C2)=CC(OCC2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1(CC(=O)N(C)C)CCCN(C(=O)OC2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)N1OC2C=CC1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)NC1=CC=[S+]C=C12;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C=CC3=C(CN4CCC5=CC(OC)=C(OC)C=C5C4C3)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2=C1C1C3=CC=CC=C3C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCN1CC2CON(C(=O)C(OC)(C3=CC=CC=C3)C(F)(F)F)C2C1C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCC2=C1CC1=C(CCCC1=O)N2C1=CC=CC2=CC=CC=C12", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C)N1N1C2=CC=CC=C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1C(OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCNC2C3=CC=CC=C3NC3=CC=CC([N+](=O)[O-])=C32)C(N)=O)C(C)C)C(O)C(CO)OC1(C)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)OC12CCCCCC1C(=O)C1CCCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C#CC1(O)CCCCCCCCC2(CCCCCCCC1)OCCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(NC2CC(C)N(C(=O)C3=CC=CC=C3)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2N=C2NNC(=S)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=O)C(CC2C(=O)CC(C)(C)C(C(=O)C(=O)NC3=C(C)C=CC=C3C)C2=O)C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)NC2(C1=O)C(=O)N(C)C(=O)N2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2=C3C1=NC=CC3=CC=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=CC=CC=C2N(CC2CCCN3CCCCC23)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1(NC(=O)N(C)C)C2CCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(C=C1C)N(C1=NC3=CC=CC=C3N=C1C(C#N)S(C)(=O)=O)C=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=CC=CC=C2)C=C1SSC1=CC(C2=CC=CC=C2)=CC=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=CN=C3C4=CC(OS(=O)(=O)C5=CC=CC=C5)=CC=C4C=CC3=C2C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(N)=C(CCCCC2=CC=CC=C2)C(C=CC2=CC=C([N+](=O)[O-])C=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=C(Cl)C=CC=C1Cl)C1=NC(C2=CC=C(Cl)C=C2)=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NNC(=O)N1N1C(=O)CCCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C3=C(C=CC2=C1)CSCC1=CC=C2C=CC=CC2=C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=C2SC3C(O)C(CO)OC3N2C2=NC=NC(N)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NCCS(=O)(=O)N2CCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC2=C(NC3=CC=CC=C23)C(C2CCCCC2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=NC(N(C)C)=NC(OC2=NC(N(C)C)=NC(N(C)C)=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(OC)C(NC(=O)CCCC(CC(=O)C2=CC=C(O)C(OC)=C2)=NNC2=NN=C(C)N2N)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C=CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C3=C(C(=O)OC2=C1)C(C)CC(C)(CO)O3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(CC1=CC=CC=C1)SCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1=C(CC2CCCC2=O)C(=O)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C(=O)OCC)C2(C3=CC=CC=C3)N(O1)C1=CC=CC=C1C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N(C2=CC=CC=C2)C2(CCN(CC3COC4=CC=CC=C4O3)CC2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCC1(C)OCCC2=C1CC1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(C(=O)NC2C(O)C(CO)OC2N2C=NC3=C(N)N=CN=C32)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2CC3OC4=CC5=C(C=C4C3(O)OC2=C1)OCO5", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)NC1CCCC1C(=O)C1=CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1=CC=C(N=NC2=CC=C(C3=NC4=CC=CN=C4S3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(=CC1=CC=C(OC)C=C1)C(C(=O)O)=C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ON1C(C2=CC=CC=C2)=C(C2=CC=CC=C2N2CCCC2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(CCCN1CCC(OC(=O)C(O)(C2=CC=CC=C2)C2CCCC2)CC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(Cl)=C(N=NC2=CC=C(Cl)C=C2)C(NCC2(CO)CC(OCC3=CC=CC=C3)C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C3=CC=C(NCCCNC4=CC=C5C(=CC4=O)C(NC(C)=O)CCC4=CC(OC)=C(OC)C(OC)=C45)C(=O)C=C3C(NC(C)=O)CC2)C(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC(CN(CCSS(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)C2=CC=CC=C2[N+](=O)[O-])=NC(CN(CCSS(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)C2=CC=CC=C2[N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=C(C)C2=[N+]3C1=CC1=C(C)C(CCC(=O)O)=C4C=C5C(CCC(=O)O)=C(C)C6=[N+]5[Zn-2]3(N14)N1C(=C6)C(C)=C(CC)C1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)NN=C1CC2CCCCC2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(O1)C1=CC=CC=C1N(C1=CC=CC=C1)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(C2=CC=CC=C2)=NN1C1=C(O)N=NC(C2=CC=CC=C2)=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NN(C3=CC=CC=C3)C(C3=CC=CC=C3SSC3=CC=CC=C3C3=NC(C4=CC=CC=C4)=NN3C3=CC=CC=C3)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CC(=O)NCCC1=CC=CC=C1)=NNS(=O)(=O)C1=CC=C(C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C2CC(C)CC(OCOCC3=CC=CC=C3)O2)C(C)(C)CCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(O)C=CC=C2C(C(=O)CCCCCC(=O)C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=CC=C32)C2=CC=CC(O)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C(N)NN=CC1=C([N+](=O)[O-])C(C2=CC=C(S(=O)(=O)O)O2)=C(C2=CC=C(S(=O)(=O)O)O2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CCN(C)CCCC(C#N)(C2=CC=C(OC)C(OC)=C2)C(C)C)C=C1OC;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClCCN1CCN(CCCl)[Co-4]123([O+]=C1C=CC=CC=C1[OH+]2)[O+]=C1C=CC=CC=C1[OH+]3;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=C(C)N=C(C2=NC(C)=C(C(=O)C=CC3=CC=C(C=CC(=O)C4=C(C)N=C(C5=NC(C)=C(C(C)=O)S5)S4)C=C3)S2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1OC2NC(=S)OC2C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CC(=CC3=CC=CC=C3)C(=O)C3C1CCCC32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;CN(C)CCNC1=NC=NC2=NC(C3=CC=CC=C3)=C(C3=CC=CC=C3)N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2C1=NNC(=S)N1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=O)N(CNC(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C12", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CNC2=NC(N3CCOCC3)=NN2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(N)=C(C2=CC=CC(C(F)(F)F)=C2)C(CC2=CC=CC(C(F)(F)F)=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C(=O)NC(C3=CC=NC=C3)(C3=CC=CC=C31)C1C(=O)N(C3=CC=CC=C3)C(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2C3=CC4=C(C=C3C(NC(=O)C3=CC=CS3)C3COC(=O)C23)OCO4)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCCCC1CC(SC1=CC=CC=C1)SC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "SC1=[N+]([Rh-4](Cl)(Cl)([N+]2=C(S)SC3=CC=CC=C32)([N+]2=C(S)SC3=CC=CC=C32)[N+]2=C(S)SC3=CC=CC=C32)C2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1C=CN(CCOC(=O)C2=CC=CC=C2)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1C=C(C2=CC=C3OCOC3=C2)SN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2C(=O)C3=CC=CC=C3NC2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CCC1)C(=CNC(=S)C1=CC=NC=C1)C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCC1=C2CCCCC2=NC2=C1CCCC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=NN=C2N3CN4CCN5CN6CN7CCN(C3)[Cu-5]457([NH+]12)[NH+]1C=NN=C61", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2NC3=CC4=NC56CCCCC5CC5=C(CCCC5)N6C4=CC3=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=NN=C2N3CN4CCN5CN6CN7CCN(C3)[Ni-4]457([NH+]12)[NH+]1C=NN=C61", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC(OC1=CC=CC=C1)C(O)C(O)C(CO)OC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)N(N=CC2=CC=CC=C2)C(C2=CC=CC=C2)=C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1OC(N2C=NC3=C2N=CNCC3O)C(Cl)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2NC(C3=NC4=CC=CC=C4S3)=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1N1CCN(CCCNC(=O)C2=CC(Cl)=C(N)C(Cl)=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=NC3=NC4=CC=CC=C4N=C3N2C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC(=CC1=CC=C(C=C(NC(=O)C2=CC=CC=C2)C2=NC3=CC=CC=C3S2)C=C1)C1=NC2=CC=CC=C2S1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC#CC(O)(C(=O)OC1CCN(C)C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2CCCCC2C12CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(Cl)=C(N=NC2=CC=C(Cl)C=C2)C(NCC2(CO)CC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCC(C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1ON2N=NN=C2C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(OCCN1CCCCC1)C(C1=CC=CC=C1)C1(O)CCSCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC(CC)(CCN2C(=O)C3=CC=CC=C3C2=O)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C(=CNC(=S)C1=CC=CN=C1)C(=O)NC1=CC=CC=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=NN=CC(SC3=CN=C4C=CC=CC4=N3)=C2C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CN[Pt-2](Cl)(Cl)NC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC=CC=C1NC(=O)C(=NN)C(C(=O)C1=CC=NC=C1)C1OC(=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=C(O)C2=C1N=C(SCC1=CC=C(Br)C=C1)N2CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C1=NC2=CC=C(Cl)C=C2N=C1O)C(O)C1=CC=C(C(O)C(=O)C2=NC3=CC=C(Cl)C=C3N=C2O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCC(NC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)NC1=CC=CC(OCC2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C=CC2=CC=[N+]3C=C(C4=CC=CC=C4)SC3=N2)C=C1;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C(O)(CC2=NC=CC3=CC=CC=C23)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CCNCC1=CC(Cl)=CC2=C1OCOC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CN(C2C=C(CO)C(O)C2O)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1SCC2CCCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCC(N=C2N(C3CCCCC3)C(=NC3CCCCC3)N2C2CCCCC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)NC1=C(CSCC1)C1=NN=CN21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2C=CC(C3C=CC2N(CC2=CC=CC=C2)C3=O)N1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C2CC3=CC(=O)C=C(CC4=CC(=O)C=C(CC5=CC(=O)C=C(CC(=C1)C2=O)C5=O)C4=O)C3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N(C(C)=O)C1=NC=C(N2N=C(C3=CC=CC=C3)C=C2C2=CC=CC=C2)C(C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCCN1C(=O)C2CCC(C)(C1=O)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)(C2=CC=CC=N2)P(=O)(C2=CC=CC=C2)C=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CSC1=NC(=O)C2(NN1)C1=CC=CC=C1C1=CC=CC=C12)NC(=S)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(NC2=CC=C(Br)C=C2)OCC1=NNC(=O)C1=CC=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;CN(C)C1=NC(=NC2=CC=CC(Cl)=C2)SS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCNC(=NC1=CC=CC(C2=NCCN2)=C1)C1=CC=C(C(=NC2=CC=CC(C3=NCCN3)=C2)NCC)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CSSCC(NC(=O)OCC1=CC=CC=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)OCC)NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C)=C(C=CC(=O)N2C(=O)OCC2C2=CC=CC=C2)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=C([N+](=O)[O-])NC(C2=NC([N+](=O)[O-])=C([N+](=O)[O-])N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(O)CCN1C1OC(CO)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1(C2=C(F)C(F)=C(N)C(F)=C2F)CCC(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(C2=CC=CC=C2)C(=O)N2C3C4C5=CC=CC=C5C(CC4N12)C31CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(=CC1=CC=CC=N1)C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CO1)N(C(=S)N1CCN(C2=CC=CC=C2)CC1)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN=S(=O)(CC1(O)CC2OC1C1OC(C)(C)OC21)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2=CC(OCC3=CC=CC=C3)=CC=C2C2OC3=CC(OCC4=CC=CC=C4)=C(O)C=C3C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC2=CC=C3CCCCC3=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NC=C(CN2CCOCC2)C(O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC(CO)C(=O)NC1C2=C(SC=C2)C(=O)C1O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)N1OC2(CCCCC2)N2C(=O)C3=CC=CC=C3C(=O)N2C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(C=NN1CC(C)N(C(=O)C5=CC=CC=C5)C(C)C1)=C(O)C4=C3C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3C(CCC4C5=NON=C5CCC43C)C1CCC2O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CN(N=NN2CCOCC2)CCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2SSSC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1OC(C2=CC=CN2)C(F)(F)C(F)(F)C1(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2=C1C1=CC=CC=C1C(=O)N2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;CN(C)C1=NC(=NCC2=CC=CC=N2)SS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NN1C(CCCCCCCCC2=NN=C(COC3=C(O)C=CC4=CC=CC=C34)N2N)=NN=C1COC1=C(O)C=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=NC2=CC=CC=C2N=C(C2C(=O)C=C(C)OC2=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2=C3C=CC(=C(C4=CC=C(C)C=C4)C4=NC(=C(C5=CC=C(OCC6COC(C)(C)O6)C=C5)C5=CC=C(N5)C(C5=CC=C(C)C=C5)=C5C=CC2=N5)C=C4)N3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC1=CC=C(C(=NCC2=CC=CC=C2)N2CCOCC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC2C(C)C(=O)CCC2(C)C2=C1C1CCC(C(C)CCC(=C)C(C)C(=O)O)C1(C)CC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)CC1=C(C(=O)C2=CC=CC=C2)C=C(C(=O)C2=CC=CC=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=C(Br)N2C=NC3=CC=CC=C3C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=NN(C2=CC=C(C)C=C2)C2(C3=CC=CC=C3)C=C(C3=CC=CC=C3)N(C)CCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=CCCC1(C)CCC(C(C)C(=O)O)OO1)CCC1=C(C)CCCC1(C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCC(C(C)C(=O)O)OO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=CC=C([N+](=O)[O-])C=C1)OCC#CCOC(=O)CC1=CC=C([N+](=O)[O-])C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C12C(C(=O)O)=C(N)CN1CCC1=C2NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CNN1C(=O)CSC1=NC1=CC=CC2=CC=CC=C12)C1=CC=CC2=C1NC1=CC=CC=C1S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC2=CC=CC=C2C2=[N+]1C(C1=CC=CC=C1)=C(C1=CC=CC=C1)S2;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=CC(NCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)=C(Cl)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C2N=C3C(=[O+]C2=C1)C=CC1=CC=CC=C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC(NN=CC2=CC(S(=O)(=O)O)=C3C=CC=NC3=C2O)=CC=C1C=CC1=CC=C(NN=CC2=CC(S(=O)(=O)O)=C3C=CC=NC3=C2O)C=C1S(=O)(=O)O;[NaH]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([P+](CC2=CC=C(C[P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)S2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1;[Cl-]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=NN(C2=CC=C(NC(=S)NC34CC5CC(CC(C5)C3)C4)C=C2)C=N1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C2=CC=CC=C2C2C(O)C3=CC=CC=C3C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C)N(CC2=CC=CC=C2)C(C)=C(C(=O)OCC)C1C1=CC=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(P2C3=CC=CC=C3NC3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1C(C2CCCCC2)OC(C2CCCCC2)OC1C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC(C)=C(C(=O)NNC(=O)C2=CC=CC=C2)C=C1C(=O)NNC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C1=NC2=CC=CC=C2S1)C1=NC2=CC=CC=C2N=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=CC=C1NC(C1=CC=CC=N1)C1=CC=C2C=CC=NC2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(C1=CC=CC=C1)N1C2CCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(NN(C)C)C2(C(N)=O)C(=N)NC(=O)C12C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OCC(CO)(NC2=NC(N3CC3)=NC(N3CC3)=N2)CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1([N+](=O)[O-])CCCC2=NON=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC2N[Cu-2](O1)OC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(NNC(=O)CC1=CC=CC=C1)C1=C(O)C=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=NNC2=NC3=CC=CC=C3N2)C(=O)O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2C3C=CC(C12)C1C2C=CC2C31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=CC=C1C=NNC(=S)NC1=CC=CC2=CC3=CC=CC=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CNC(C2=CC=C(C3=CC=CN3)C3=NSN=C23)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N[Co-4](N)(N)(N)(N)[NH+]1N=NC(C2=CC=CC=C2)=N1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2CCCC1O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=NC=C1;N=C1SC(=S)NC2=C1C=NN2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C(CC1=CC=C(OC)C(OC)=C1OC1=CC=CC=C1)N(C)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC=C(SC(=O)C2=CC=CC=C2)N1C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CC(C3=CC=CC=C3)NC3=CC=CC=C3N1C(C1=CC=CC=C1)=NO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C=CC2C(CC1)C1(C3=CC=CC=C3)OC2(C2=CC=CC=C2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2NC(C3=CC=CC=C3)(C3=CC=CC=C3)C(C)C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC(=O)N2C(=C1C(=O)C1=CC=CC=C1)SC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C(=C1)P(=O)(O)C1=CC(C)=CC=C1S2(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)OP(=O)(OC(C)C)C(=NNC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=NC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C(=O)N1C(=O)N(C(=O)C(C)C(O)C2=CC=CC=C2)C(C2=CC=CC=C2)C1C1=CC=CC=C1)C(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCCC2=C1C(=O)N(CSCN1C(=O)C3=C(C1=O)C(C)CCC3)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(COC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C=C1OC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2(OC2(C)C)C(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-]C1=C2C=C([N+]3=C(C4=CC=CC=C4)C=C(C4=CC=CC=C4)C=C3C3=CC=CC=C3)C=C1COCCOCCOCCOCCOC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(C2=CC=CC=C2)C2(C3=CC=CC=C3)C1C1C(C3=CC=CC=C3)=C(C3=CC=CC=C3)C2C12SCCS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2C3SC(C4=CC=CC=C43)C2C(=O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1C(NC2=CC=CC3=NC(C)=CC=C23)CCN1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC[Sn](CCCC)(OC(=O)C1CCC(=O)N1)OC(=O)C1CCC(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN=C2N(N)CC(CC(=O)C3=CC=C(O)C=C3O)=NN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1C2=CC=CC=C2C(C)(C)C12CCC1(CC2)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1=CC=C(CCC(=O)OC(C(=O)O)C(OC(=O)CCC2=CC=C(OC(C)=O)C(OC(C)=O)=C2)C(=O)O)C=C1OC(C)=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C(N)C1CN(CCC2=CNC3=CC=CC=C23)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CC2(N3CCOCC3)CCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NCCCC2=NON=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)CC(=O)NC1=CC(OC)=C(OC)C=C1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=CC1=CC=CC=C1)C=NC1=CC=C(CCC2=CC=C(N=CC=CC3=CC=CC=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;OCC1NC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C2(OC1=O)C(O)C(C)C1(O)CCC3C4CC=C5CC=CC(=O)C5(C)C4CC2(O)C31C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=C2C3CC4CC(C3)CC(C4)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C2N(C3OC(COC(=O)C4=CC=CC=C4)C(OC(=O)C4=CC=CC=C4)C3OC(=O)C3=CC=CC=C3)C=CN2N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-][N+]1=CC(SCC2=CC=CC=C2)=NC=C1SCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=C[Se]C(C2OC(CO)C(O)C2O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC(O)=C2N=C(C)C(=O)N(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(N2N=C3C=CC4=[N+]([O-])ON=C4C3=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CCN1NC(=O)C=CC1=O)=NNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)COC(C2CC3=CC=CC=C3C(O)(C3=CC=CC=C3)C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)C2=C(N=C3NC(C4=CC=CC=C4)=[O+][Ag-][NH+]31)N(COCCO)C=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC1CCCC2NC(CCCCC3OCCO3)CCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=C(CC2=CC=C(C(=O)OC)O2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CCCN2C3=CC=CC=C3SC3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ON=C1CCCCC1C(NO)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CN1C2=C(CCCC2)C2=CC=CC=C21)N1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1C(CO)=CCC2C1CCC1C(C)(C)C(=O)CCC21C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2C(=O)C2=C(O)C=C3OC(C4(C)CO4)CC3=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1C(C#N)C2(C3=CC=CC=C3)C(C3=CC=CC=C3)=NN(C3=CC=CC=C3)CC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NN=CC1=CC=CC=C1)NC1=CC=C(OC2=CC=C(NC(=S)NN=CC3=CC=CC=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC2=CC=NC=C2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCC(OC(=O)C(O)(C#CC2=CC=CC=C2)C2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1COC(C(C)(C)C)N1C(=O)N1C=CC(=O)CC1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C=CC=CC2=N[C-](CSC2=NC3=CC=CC=C3S2)[N+]1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(C1=CC=CC=C1)C1CC2CC3(CCC21O)OCCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C(C2=NC(C3=CC=CC=C3)=CS2)C(C2=CC=CO2)C2=C(O1)C1=CC=CC=C1OC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CC1=CN2C(C3=COC=C3)CCC(CO)C2CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CC1C(CC1=CC=C(CC3C4=CC(C5=CC=CC=N5)=NC=C4C4CC3C4(C)C)C=C1)C1=CC(C3=CC=CC=N3)=NC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N1N(C2=CC=CC=C2)C(=O)C1(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2(C3=CC=CC=C3)SCCCS2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C(C(=O)OC(C2=CC=CC=C2)C(C2=CC=CC=C2)N2CCOCC2)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C=CC=C(C3=CC=CC=N3)N2C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CC2CCC1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1CN2CC(Br)CN2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NN=C(C2=CC=CC=C2)N1N1C=NN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC(C2=C(C3=CSC=C3)SC=C2)=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOP(=O)(OCC)OC1C2=C(C(C(=O)OCC3=CC=CC=C3)=CN2)C2=C(NC(C(=O)OC)=C2)C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CN(C2=[S+][Cu-3]3([S+]=C(N4CCOCC4)[SH+]3)[SH+]2)CCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C(=O)C(C)(C)C(=O)C(C)(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC=C(C(=O)NN2C(=O)C(Cl)C2=CC2=CC=CO2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC=CC=C2C(O)=C1C1=CC=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N1C2=C(C(=O)C(OC)N1C(=O)OCC)C1=CC=CC=C1N2C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(N2CCCCC2)N(C(=O)C2=CC=CC=C2)SC12C1=CC=CC=C1C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(N(C3CCCCO3)C=N2)N(C2=CC=CC=C2)C(=S)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COP1(=O)OCC2=CN=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN=C2SC(C=CC3=CC=CC=C3)=NN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(S(=O)(=O)NC2=NCC3=NC4=CC=CC=C4N23)=C(S)C=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1=CC(=O)OC2=C3C(=O)C(C)C(C)OC3=CC(OS(=O)(=O)C3=CC=C(C)C=C3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([P+](CC2=CSN=N2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN=C(SCC2=CC=C(Cl)C(Cl)=C2)N=C1N1CC1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(C)(O1)C1C(=O)N(C3=NC=CS3)C(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CN(C23C4C5C6C4C2C6C53)N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=S)N1CC2CCC(CC2)C1)C1=CN=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OCCCCCN1C(=O)C3=CC=CC4=CC=CC(=C34)C1=O)N=CC1CCCN1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH](CCC[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(O)(C3=CC=C4C(=C3O)C(=O)C3=C(O)C=C(C)C=C3C4(O)C3OC(CO)C(O)C(O)C3O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(CC1=CC=C[Se]1)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(CCCCCOC2=CC=C(C3=NCCO3)C=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)CC(C)(C)ON1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NNC(=S)NC1=CC=CC=C1)C1=CSC(NC(=S)NC2CCCCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-][N+]1=C2C(=NO)CCCC2=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCC=CCCCCCCCCCC1=C(CN2CCN(C)CC2)C(=O)C=C(OC)C1=O;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NC(O)=C2SSCC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OCC1=CC=CC=C1)C1=CC=C(NCC2=CC(O)=CC=C2O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)[SH+][Cu-2](O)NC1C(=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1(CC)OC(C(O)CCC2=CC=CC=C2O)C(C(O)CCC2=CC=CC=C2O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COCC1C2OC(C)(C)OC2C(=O)N1C(=O)C1=CC=C(OC)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ON1C=CC=CC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NCC1OC(OC2C(N)CC(N)C(O)C2O)C(NC(=O)C2=CC=CC=C2)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[Sn](C)(Cl)CC(P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CC(O)C(O)C(O)C1O[Pt-2]2(NC3CCCCC3N2)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC2CC(O)CC(C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=CC2=C(OP(C3=CC=CC=C3)C3=CC=CC=C3)C(=C1)CC1=CC(C(C)(C)C)=CC(=C1OP(C1=CC=CC=C1)C1=CC=CC=C1)CC1=C(OP(C3=CC=CC=C3)C3=CC=CC=C3)C(=CC(C(C)(C)C)=C1)CC1=C(OP(C3=CC=CC=C3)C3=CC=CC=C3)C(=CC(C(C)(C)C)=C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCC1=CC=CC=C1)C(O)C(O)COC(=O)CCCCCNC1=CC=CC2=C1C(=O)C1=CC=CC=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2C3=CC=CC=C3C3(O)CC2CC(=O)O3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C(C2NN=C3C4=CC=CC=C4OCC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=C1CC2OC(O)(C1)C(C)C(=O)OC1CC(C=C(C)C)OC(CC3(O)OC(CCC2O)C(C)C2(O)CCC(C)C(=O)C32)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=C1NC2=CC=CC=C2C(=O)N1C1=CC=CC=C1Cl)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C(=CC1=CC=CC=C1)C1=CC=CC=C1)N1C2=CC=CC=C2CC1C1=CNC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(NC(=O)C1=CC=CC=C1)(NC1=NOC(C)=C1)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=CC2=CC=CN2C2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(N=P(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=C([N+](=O)[O-])C(=O)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=C(C=NN3CCCCC3)C1=O)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2(C)C=C(C)C3(OC(C4=CC=CC=C4)=C(C#N)C3=N2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N1CCC2(CC1)NNC1=NC=CC=C1N1C=CC=C12;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Ni-3]13([S+]=C(NC4=CC=CC=C4)[N-][N+]1=C2)[N+]1=CC=CC2=CC=C4C=CC=[N+]3C4=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=CC(N3CCOCC3)=C3C=CC=CC3=[O+]2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C=CC2=CC(O)=CC(C3OC(CO)C(O)C(O)C3O)=C2)=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CSSCC(NC(=O)CNC(=O)C1=CC=CC=C1)C(=O)OC)NC(=O)CNC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2OC(=O)C3=CC=NC(O)=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2CCCC2N1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NC2=NC(O)=C3C=CNC3=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2C3=CC=CC=C3C(=O)[OH+][Ni-2]2(O)[OH+]C2=CC=C3C(C)=CC(=O)OC3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12N=NNC1C(=O)NC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(NC(=O)NC2=CC=C(CC3=CC=C(NC(=O)NC4=C(C(=O)OCC)N=NS4)C=C3)C=C2)SN=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC(C2N3CCCN2CC3)=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1C(=O)C1(O)CCCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NNC(=S)NC1CC(C2=CC=CC=C2)OC2=CC=CC=C21)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)P2(C)(C)OC(C3=CC=CC=C3)CN2C1(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(C1CCCCC1)N1N=NC2CCCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1CCCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(SC1=CC=CC=C1)C1OC12CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOS(=O)(=O)O;CC[N+]1(C)CSC(=S)N(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OC(C)(C)OC1C1SCCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC([N+](=O)[O-])=CC=C2N2CCC3=CC=CC=C3CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2=C(CC3C4C=C5CC(C)(C)OC(=O)C5(C4)C23)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)N1CCC(NC2=NC=CS2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C(=S)C2=CC=C(N(C)C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C2N=C3C=CSC=C3C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=S)NC1C(OC2=CC=C3C(C)=CC(=O)OC3=C2)OC(CO)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C1NC2=CC=C(Cl)C=C2C2CCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(NS(=O)(=O)C2=CC=CC=C2)C=C2CC(=C3CC4=C5C3=CC(NS(=O)(=O)C3=CC=CC=C3)=C(OC)C5=CC=C4)C3=C2C1=CC=C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(C)CC2CCC3(C)C(C)=CC(=O)CC3C2(C)CC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(C)C=C2C(O)CC3C(C)(C(=O)OC)CCCC3(C)C2CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2(C3=CC=C(Cl)C=C3)NC3CCCCC3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NN=C(C)C1CC(CC(=O)O)C1(C)C)C1CC(CC(=O)O)C1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C(CC1=CC=CC=C1)NCC1=C(O)C=CC2=C1OC(=O)C=C2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CCS(=O)C1=CC=CC=C1NC1=CC(=O)CC(C)(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2SCC3COCN32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N(C)C)C4(C)C)N(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NCC1(C2=CC=CC=C2)CCN(CC2COC3=CC=CC=C3O2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(S(=O)(=O)NC2=NC3=CC=CC4=CC=CC(=C34)N2)=C(S)C=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1C(=NC2=CC=CC=C2)N(C2=CC=CC=C2)C(=NC2=CC=CC=[N+]2CC2=CC=CC=C2)N1C1=CC=CC=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2=C(C3=CC(OC)=C4C=CC=CC4=C3OC)C(=O)C3=CC=CC=C3C2=O)=C(OC)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NNC1=NN=C(C2=NN=C(NN)O2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC1CC2OC(C)(C1OC)N1C3=CC=CC=C3C3=C4C(=C5C6=CC=CC=C6N2C5=C31)C(=O)NC4O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;C[N+]1=C2SC=CN2C=C1C1=CC=C(C=NNC2=CC=NC(NN=CC3=CC=C(C4=CN5C=CSC5=[N+]4C)C=C3)=N2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(NC(=O)C1=CC=CS1)C1=NCCCCN1;I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1=C2C=CC=CN2C=C1C1=CC=C(C=NNC(=N)NCCCCCCNC(=N)NN=CC2=CC=C(C3=CN4C=CC=CC4=[N+]3C)C=C2)C=C1;I;[I-]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2CCN(C=S)CC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CN1CCN2CCCCCN(CC1)CCN(CC(=O)O)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C#N)=C1NC(=O)CC(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCN1CCC(O)(C2=C(C3=CC(C)=NO3)NC(C(=O)OCC)=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(C23CC4CC(CC(C4)C2)C3)N2CCCC3=CC=CC(=C32)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(C1=CC=CC=C1)(C(F)(F)F)P1(=O)OC(=O)C2=CC=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C(=C1)NC(=S)N2C=C1C(=O)NC(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CCCC(=O)CC(O)C(CC)C(=O)O1;O=S(=O)(O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCCN1N1C(=O)CC2(CCCCC2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(SC2CC3CC2C2COCC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC=C(N=C(NCC(=O)O)NC2=CC=CC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)P1(=O)OCC(C2=CC=CC=C2)CO1;CC(C)(C)P1(=O)OCC(C2=CC=CC=C2)CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC2=C(C(=O)C1=O)C13CCCC(C)(C)C1CC2OC3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1)N1C(N)=C(C2=CC=CC=N2)C2=CC=C([N+](=O)[O-])C=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=CC(C2=NC=C3CC4=CC=CC=C4C3=N2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(P2(C3=CC=CC=C3)=NSN=S=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2OCOC2=CC2=C1C1(O)CC3=CC=C4OCOC4=C3C[N+]1(C)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CN(C)N(C(=O)C2=CC=CC=C2)CN1C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NC2=CC=CC=C2C(O)=C1CCCC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1OCC(COC2=CC(Cl)=C(Cl)C=C2Cl)OC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(CC2=CC=CC=C2)C2=CC=CC=C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC1=C(C2=CC=CO2)SC(CCCC)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C(C2=CC=CC=C2)SC(N2CCCCC2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(O)C2C3CC4C2C(O)=C(C(=O)OCC)C2C1C3C42", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NN=C1SC(F)(F)C1=NC2=CC=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2=CC=C(Br)N2)=NC1=CNCC(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC(O)C1O[Sb](O)(O)(O)OC1C(O)CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(CC1=CC=C(O)C=C1)C(=C)CC1=CC=C(O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C)C(C(=O)OCC2=CC=CC=C2)=C(CN(C)CC2=C(C(=O)OCC3=CC=CC=C3)C(C)=C(C(=O)OCC)N2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC12SC(NC3=CC=C(C)C=C3)=NN1C(=S)N(C)N=C2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=NC1=CC=CC=C1S)C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCN(C(=O)O)S(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1)NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(=CN1CC(=CC(C)=CC2=CC=CC=C2)SC1=S)C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C2=CC=CC=C2)N(C(C)=O)CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1N2C(=S)N(C3=CC=CC=C3)C(=O)C2SC1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N2CCC3(CC2)OCCO3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=CC2=C1N=C(C1=CC=NC=C1)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2SSC3=C4C2=C(SSC4=C(OC)C=C3OC)C(OC)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC2=C(N=NO2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1(CC(=O)NCC2=CC=CC=C2)OCCO1)NCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2C1=NNC(=S)N1CCCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(C)CCC2=C(CCC3C(C)(C(=O)OC)CCCC23C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(CO)=C(O)C(C(=O)CC2CC(=O)NC(=O)C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)N=C1N(C(C)(C)C)OC(=O)N1C(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NOC2=CC=CC(OCC3=CC=CC=C3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=NC1C(Cl)C2CC1C1COCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC(=O)NCCCCC(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=O)CC(C2=CC=C3OCOC3=C2)C2=C(O)C3=CC=CC=C3OC2=O)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C2(C#N)CC(=O)N=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2NC(=O)CN(N(C)C)C(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C1=CC=CC(C#N)=C1)C3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2N=NN1N1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2C=C([N+](=O)[O-])C=C1CNC(=O)CN1CCOCCOCCN(CCOCCOCC1)CC(=O)NC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NNB(O)C2=C1C=CS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CSC(C2=CSC(C3=CC=CS3)=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCOC(=O)NC1=CC=C2C(=C1)C1=C3NC(=O)C4=CC=CN4C3=CC=C1N2CC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=NC(N(C)C)=NC(N(C)CN(C)C2=NC(N(C)C)=NC(N(C)C)=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C1OC2=C(C3=CC=CC=C13)N(CCN1CCCCC1)C1=C3C=CC=CC3=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[IH-][Pd-2]([IH-])([PH](N1CCOCC1)(N1CC1)N1CC1)[PH](N1CCOCC1)(N1CC1)N1CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1C(OC(=O)C(OC)C2=CC=CC=C2)ON2CCC(OC(=O)C3=CC=CC=C3)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(C2=C(O)CC(C)OC2=O)C2=C(O)CC(C)OC2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)CC(N1CC1)N1CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CN1CN(C2=CC=CC=C2)C2(CCN(CC(C)(C3=CC=C(F)C=C3)C3OCCO3)CC2)C1=O;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN(C)C2=C1C(=O)C(C(=O)OCC)CCN2C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C2=CC=C(O)C=C2)C2(O1)C(=O)OC1C(O)COC12O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC=C1CCC2C3=C(CC1N2CC1=CC=CC=C1)C1=CC=CC=C1N3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(C(C)C)C(O)=C(O)C(C=NC3=CC=C(C4=CC=CC=C4)C=C3)=C2C(O)=C1C1=C(C)C=C2C(C(C)C)=C(O)C(O)=C(C=NC3=CC=C(C4=CC=CC=C4)C=C3)C2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC2=C(N=C1N)C1=NC=CC=C1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CC2=NNC(CC3=NC(CC4=CC=CC=C4)=NN3)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C(CC2=C(O)C3=CC=CC=C3N(C)C2=O)=C(O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=NOC(C(N)=O)C1C1OC(CO)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[N+]2=CC=NC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1[OH+][Ni-4]234([O+]=C(C5=CC=CS5)C=[N+]2C2=CC=CC=C12)[O+]=C(C1=CC=CS1)C=[N+]3C1=CC=CC=C1C(=O)[OH+]4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C2C=CC=CN2C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1CC1SC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C#CC1(O)CCC2C3CCC4=CC(OC5=NC(F)=NC(C6=C7C=CC=CN7C(C(=O)OCC)=C6C)=N5)=CC=C4C3CCC21C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=CC2=CC=C3OCOC3=C2)CCCC1=CC1=CC=C2OCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1CC1C2=CC(OC)=C(OC)C=C2CCN1C(=O)C(N)CC1=CC=CC=C1;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=C(CCCC2=NN=C2CCCC3=C2C=CS3)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CCCC1(CCC#N)CCCCCCC(CCC#N)(CCC#N)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C1C2=CC=CC=C2SC2=CC=CC=C2N1CCCCCN1CCN(C2=CC=C(F)C=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(CCO)C(=O)N(C2=NC(O)=C(C3=CC=CC=C3)C(O)=N2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1(C(=O)O)CC23CCC2(COC3)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=CC=CC=C1)NCCCN(CCCCN(CCCNC(=O)CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3C4=CC=C(OC(=O)C5=CC=CC=C5)C=C4CCC3C1CCC2OC(=O)C12OC1CCC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=C([N+](=O)[O-])C2=CC3=CN=CC=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CCCCCCCC(C(=O)OC)C1=NC2=NNC(=N)N2C1=O)C1=NC2=NNC(=N)N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C=CC=C2C(OCCO)=CC2=C1NC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(NC(=O)N2)C2=C1NC=C2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1N=CN2C1CC(OC2CCCCO2)C(CO)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=CC2=CC=CC=N2)SC2=NC3=CC4=C(C=C3N12)OCCO4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C=CC=C2C=CC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C(=CC=C2C(=O)NC(=O)NC2=O)C2=CC=C(N(C)C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(OC)CCN(CC2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC12CCC(=O)N3CCC4(C(=C(C(=O)OC)C1)NC1=CC=CC=C14)C32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)OC1=CC2=C(C(=O)C(C)C(C)O2)C2=C1C1=C(CCC1)C(=O)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2OC2=CC=CC=C12", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C2CCCC3OC(=O)CC23CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CCC1SC1(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NC(S)=NC(SCC2=C(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2C1CCC1(C)CC2(O)CCC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC(O)CC2=CC=C(O)C(=C2)C2=CC(=CC=C2O)CC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CN=CC(C2C3=C(CCN2CCN2CCCCC2)C2=CC=CC=C2N3)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C)C1CC2=C(C=C3C(=C2O)C(=O)C2=CC=CC=C2N3C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(N(CN2CC=CC2=O)C(C)=O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=P(N1CC1)(N1CC1)N1CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC2=C(C(CCC(=O)O)N1C(C)C)N(CC1=CC=CC=C1)C1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C(C#N)C1C1=C(N2CCOCC2)C2(C)C(CCC2OC(=O)C2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N(C)C2CC(=O)C3=CC=C(C(F)(F)F)C=C3N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1(O)C(=O)N(CN2CCCCC2)C2=CC=CC=C21)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C#N)C2C(=C(C)N1)C(=N)NC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(NC1=CC=CC=C1)(NC1=CC=CC=C1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NCC2(CCN(CC3COC4=CC=CC=C4O3)CC2)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-][N+]1=NC2=CC=CC=C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC(NC(=O)C2=NN=NN2)=N1)C1=NN=NN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=C(Cl)C2=C(O)C3=CC=CC=C3C(O)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OCC1=CC=CC=C1)C(C1=CC=CC=C1)=[N+]1C(=S)NC2=CC=C([N+](=O)[O-])C=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1(C#N)C(C#N)(C#N)C12CCCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OOC(OC)C2=CC=CC=C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N;O=C(O)C1=CC(CC2=CC(C(C3=CC=C(O)C(C(=O)O)=C3)C3=CC=C(O)C(C(=O)O)=C3)=CC(C(=O)O)=C2O)=CC=C1O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC(=O)N1SC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(O)=C(C(C=CC2=CC=CC=C2)C2=C(O)C(=O)C3=CC=CC=C3C2=O)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C2CCCCC2=C(NC2=NCCO2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(C2=CC=C(N4C(=O)C5C6CC7C8(C)CCCC(C)(C(=O)O)C8CCC7(C=C6C(C)C)C5C4=O)C=C2)C(=O)C13;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCS(=O)(=O)O;CN(C)C(=O)C1=CC=CC(COC2=CC=C(N3C(=N)NC(=N)NC3(C)C)C=C2Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(CO)COC(=O)C(C)(C2(C)NC(C)(CO)COC2=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC12C3=CC=CC=C3C3=CC=CC=C3C1C1C(=O)N(C)C(=O)C12Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCP(=O)(C1=CC=CC=C1)C1=CC=CC=C1)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(CN1C=C(SC2=CC=CC=C2)CC1)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1(C)CC(OC(=O)C=C(C)C)C2C(OC(=O)C2(C)OC(C)=O)C2C(C)=CC(O)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC(C)(C)N1C2=CC=CC=C2C2(O)CC3C(=O)N4C=CC(C)(C)C5=C(C=C4C(=O)N3C12)C1=CC=CC=C1N5", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C2=CC=CC=CC2N2C(=O)N(C3=CC=CC=C3)C(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2C(O)C(CO)=C3C(=O)C(O)C3(C)C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C#N)C(O)=NC(C2=CC=CC=C2)=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(CCCN1CCC2(CC1)C(=O)NC(=O)N2C1=CC=CC=C1)C1=CC=C(F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)C2=CC=CC=C2)N(COCCC[Se]C2=CC=CC=C2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(N=NC4=CC(S(=O)(=O)O)=C5C=CC=CC5=C4O)C4=CC=C(S(=O)(=O)O)C=C34)C3=CC=C(S(=O)(=O)O)C=C23)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CN=C(N(C(=O)NC2=CC=CC=C2)C2CCCCC2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2OC2=CC=C3C=CC=CC3=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=N)NC(=O)C1=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(SC(NCC3CCCCC3)=N2)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C2=CC=C(O)C(O)=C2)C2=C(C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)[OH+][Co-3]12([OH+]C(C)=O)OC3=C(Cl)C=C(Cl)C=C3C=[N+]1[N-]C(C1=CC=NC=C1)=[O+]2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1NNC2(C(=O)N1)C1=CC=CC=C1C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2OC(COC(=O)C3=CC=C(C#N)C=C3)C3OC(C)(C)OC3C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CCCNC1=NC=C(C)C2=C1C1=CC=C3C(O)=CC=CC3=C1N2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CN(CN(CN2C=CC=N2)CN2C=CC=N2)N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CC1=C(C(=O)C2=COC=C2)CC(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC(CNCCSC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=NC(CNCCSC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CC(=O)NCCC1=CC=CC=C1)=NNC(=O)C[N+]1=CC=CC=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C1=CC=CC=C1)C1=C(C2=CC=CC=C2)C(=O)OC2=C1C=CC1=C2C=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(O)CCC2(C)C3OC(C)(C)OC3C3=C(C)C(=O)CC4(OC(C)(C)OC4C12)C3(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ON=CC1=NC=CC=C1C1OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[Si](C)(C1=CC=CC=C1)C1CC(=O)CC(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC2=CC=CC=C2C1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CN(CCC2=CC=CC=C2)CC(=O)N2C(C3=CC=CC=C3)CCCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;COC(=O)C1CC2=CC(O)=C(O)C=C2C2(CCN(C)CC2)O1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NN=CC=CC1=CC=CC=C1)C(O)C(O)C(=O)NN=CC=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(Cl)C=C1Cl)C1C(=O)N(C2=CC=C(Cl)C=C2Cl)C(=O)C1=NNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2(C)OC(=N)C(C#N)(C(C3=CC=CO3)O2)C1(C#N)C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC(F)(F)C1=CC=CN=C1SC1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Cu-3]1([N+]3=CC=CC=C3)[S+]=C(N)[N-][N+]1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([N-][O-])C1CCCCC1=[N+]1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCC1=NN2C(CC3=CC=CC=C3)=NN=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=C2C=C3C=CC4=C5N=C(C)C=C(O)C5=CC5=CC=C(C2=N1)C3=C54", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(O)N=C(NCC4=CC=CC=C4)N=C32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)CC1=C(OC(C)C)C2(OCCO2)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCN1C(C2=CC=CC=C2)=NN(CC(=O)NN2C(C)=NC3=CC=CC=C3C2=O)C1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(C=C(OCC(=O)N5CCOCC5C)C4=C3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1)C1CC=C2CCC3OC(=O)C1C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CCCCCC12C3C(=O)N(C4=CC=CC=C4)C(=O)C3ON1OC1C(=O)N(C3=CC=CC=C3)C(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)N(C2=CC=CC3=CC=CC=C23)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC(C=CC1C2CC(=O)OC2CC1N1CCOCC1)OC1CCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C23CCC4(OCC(C)(C)CO4)C4CON(OC(OC5CCCCC5C(C)(C)C5=CC=CC=C5)C2)C43)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(=O)OC2CCC3(C)C(=O)OC4OC5(C6=COC=C6)CC1(O)C2(C)C43O5", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1COC2=CC3=C(C=C2N1)SCC(=O)N3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N=C2SC(=NC(=NC3=CC=CC=C3)SCC3=CC=CC=C3)N(C3=CC=CC=C3)C2=NC2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCNC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC(C)=NC2=C1C(=O)N(C1=CC=CC=C1)C(=O)N2CCCCN1CCN(C2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C2CSC(COP(=O)(O)OC3CC(N4C=CC(NC(=O)CCCCCCCCCCCCCCC)=NC4=O)OC3CO)O2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C2OC3CC(=O)C(O)C2(C(=O)N1OC)C3C=CC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C2C3=CC=CC=C3NC(=O)N2NC1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1COCCN1;CN(C)C1=CC=C(C2=C(C#N)C(N)=NC(S)=C2C#N)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(ONC(=O)C1C2C=CC(C2)C1C(=O)NOC(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=NN=C3SC4=C5C=CC=CC5=CC=C4N23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2N=C(C3=CC=CC=C3)[OH+][Ni-4]234(O)[OH+]C(C2=CC=CC=C2)=N[N+]3=C(C)C2=CC=CC1=[N+]24", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(Cl)=CC=C1NC(=O)CC1SC(NC(=O)C2=CC=CC=C2Cl)=NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCCNC(=O)CNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)CCNC(=O)C4=CC(NC(=O)C5=CC(NC(=O)C6=NC=CN6C)=CN5C)=CN4C)=CN3C)=CN2C)=CN1C;O=C(O)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=CC2=C(C3=C1C=CN3)C(C)CC2C;CCC=CC1=CC2=C(C3=C1C=CN3)C(C)CC2C;CCC=CC1=CC2=C(NC=C2)C2=C1C(C)CC2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]12CC3C(O)CC1CCC32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C(S(=O)(=O)NN=CC2=CC=C3OCOC3=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC2=C(N=CC=CC2=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)C2=CC=CC=C2)C2=C(O1)C(=O)C1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(N=C3SC(C4=CC=CC=C4)CN31)NN=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CC1OCC=C2CN3CCC45C6=CC=CC=C6NC4C1C2CC35", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CNCCNCC2=CC=CC=C2)C=C1;CC(C)COC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC=C(C(=O)N2C=CN=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCCNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC=NC(C(=O)NC5=CN(C)C(C(=O)NC6=CN(C)C(C(=O)NC7=CN(C)C(C(=O)NCCCN(C)C)=C7)=C6)=C5)=C4)=CN3C)=CN2C)=CN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C3C(=CC=CC3=CC=C2)C(=O)N1CCCCCCCCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(C=NN(C)C2=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)C(Cl)C2N=C(Cl)NN=C2C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC=CC(C(C)C)=C1NC(=S)NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CNNC(CN2N=C(C3=CC=CC=C3)C3=CC=CC=C3C2=O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(N2CCCC2)NC(=O)N1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2N=C3N=C4NONC4=NC3=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OCC(Cl)(Cl)Cl)N1CCC(C2CCCCC2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C(CCC2=CC=CC=N2)C=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C3OC32C)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NS(=O)(=O)NC(=N)C1=CC1=CC=C([N+](=O)[O-])O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(S(=O)(=O)NC2=NC=CS2)C=C1)C1=CC=CN=C1NC1=CC=CC(Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC2OC(C=CC=CC=CC=CC=CC(=O)C3=C(O)C(C(C)C)N(C)C3=O)C(O)C2O1;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1N=C(C2=CC(Cl)=CC=C2O)CC(C2=CC=CC=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=CC=C(C3=CC=C(Br)C=C3)N=C2N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N1CC2CN(CC3=CC=CC=C3)CC(C1)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC(N=CC2=CC(S(=O)(=O)O)=C3C=CC=NC3=C2O)=CC=C1C=CC1=CC=C(N=CC2=CC(S(=O)(=O)O)=C3C=CC=NC3=C2O)C=C1S(=O)(=O)O;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CSCCSCCSCCSCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C2=CC=CC=C2)NC(C2=CC=CC=C2)=C(C(=O)OCC)C2=C1C(=O)C=CNC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CCC2C3CCC4=C(C(=O)C=CC4(C)OC(C)=O)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(O)C2=CC(OC)=C(OC)C(OC)=C2C(C2=CC=C3OCOC3=C2)C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1C(=S)NC(=O)C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(N)=C(N=NC2=CC=C(S(=O)(=O)NC3=CC=CC=N3)C=C2)C(=O)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N=C(N2CCCC2)N(CCN2CCCC2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(C)NC(=O)C(NS(=O)(=O)C1=NC2=CC=CC=C2S1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=C2C(=O)O[Pt-2]3(NC4CCCCC4N3)OC(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl[Pd-2]12NCCS[S+]1CCN2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C2(CCC(O)C2)C2=CC=NC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(NC(N=NNC3=NN=CS3)=N2)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=NN(C(=O)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC3=CC=CC1=C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1CC(=NN=C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CCC1(O)OC2CC3C4CCC5CC(=O)C=CC5(C)C4CCC3(C)C2C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC23CC=CCC12CCCCCC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)N1N=C(C(F)(F)F)CC1(O)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=CC4=C3NC3=CC=CC=C3C4=O)C=C2)=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C(C2=CCN3CC=C(C4=CC=C(Cl)C=C4)C23)C=C1;O=C(O)C=CC(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC=CC=NN(C(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=NC(C2=CC=CC=C2)C(C2=CC=CC=C2)=NN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(CSSCC(N)C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=C(C2=NOC(C3=CC(C4=CC=C(O)C=C4)=NO3)=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)CC1C2(C=CC13OCC(C)(C)CO3)CO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(C)CN(CC2=CC=CC=C2)C(C(=O)OCC)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=O)C3=C(NC2=C1)OC=C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C(S(=O)(=O)O)C=C2C=C(S(=O)(=O)O)C=CC2=C1N=NC1=CC=C(S(=O)(=O)C2=CC=C(N=NC3=C(N)C(S(=O)(=O)O)=CC4=CC(S(=O)(=O)O)=CC=C34)C=C2)C=C1;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C(NC2=NC=CO2)C=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=C2C3=CC=CC=C3C3=NN(C)C(N)=C3CC2=C1N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(N)=O)C(C)CC)C(C)OC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(N)N=C(C(CC(N)=O)NCC(N)C(N)=O)N=C1C(=O)NC(C(=O)NC(C)C(O)CC(=O)NC(C(=O)NC(OC1OC(C)C(N)C(O)C1O)C(O)C1=NC(C2=NC(C(=O)NCCC[S+](C)C)=CS2)=CS1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2C3=CC4=C(C=C3CCN2C(=O)C2=CC=CC=C2)OCO4)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C=C(OC(=O)C2=CC=CC=C2)C(=O)C(N2C=C(F)C(=O)NC2=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COCC1C(=O)C2=CC3=C(C=C2C12C=CC1(C=C2)OCCO1)OCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C[N+]1=CC=CC=C1Br)C1=CC=C2C=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)SC(=CC#CC=C2SC(C(=O)OC)=C(C(=O)OC)S2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH](CC2=CC=CO2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2(CCCCC2)N(Cl)C(=O)C1SC#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C=C(NC(=O)C2=CC=CC=C2)C2=NN(C)C(=O)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(SC(=O)C(C)(C)OC2=CC=C(Cl)C=C2)N(C2=CC=CC=C2)C(=S)N(C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2(C(F)(F)F)OC3=CC=CC=C3CN2C12CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C(Cl)C(N=NC2=CC3=C4C(=C2)CCCN4CCC3)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OP(=O)(O)C=C1[Se]C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCC=[N+]1[N-]C(C2=CC=NC=C2)=[O+][Co+2]1(O)(O)(O)(O)[OH+]C(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CN=C2C=C(C2=CC=CC=C2)N1CCO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)([O-])[OH+][Fe-2]12OC3=C(Cl)C=C(Cl)C=C3C=[N+]1[N-]C1=CC=CC=[N+]12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C)C(=O)OC1CC23OC2CCC(=CC2OC(=O)C(=C)C21)COC3O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(S(=O)(=O)NC(C(=O)O)C2=CC=CC=C2)C=C1)C1=CC=C(F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C(NC)=[Pd-3]1(Cl)C(=O)CC[N+]1(CC)CC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(CNC2C3=CC4=C(C=C3C(C3=CC(OC)=C(OC)C(OC)=C3)C3C(=O)OCC23)OCO4)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2SC2=C1NN=C2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CCC13CS(=O)(=O)N=C3C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC(O)=NC(O)=C1N=NC1=CC=C(C=CC2=CC=C(N=NC3=C(C(=O)O)C=C(O)N=C3O)C=C2S(=O)(=O)O)C(S(=O)(=O)O)=C1;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C(C[S+]2CCCC2)SC(C[S+]2CCCC2)=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(=O)OC2C=C(C)C3OC3C=C(C(=O)OC)C(OC(C)=O)C(OC(=O)C(C)(O)C(C)OC(C)=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CN=C2C(OB(C3CCCCC3)C3CCCCC3)=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C1=CC=CC=C1)C1=CC=C(OC2=CC=C3C4=NC5=NC(=NC6=NC(=NC7=NC(=NC(=N4)C3=C2)C2=CC=C(OC3=CC=C(C(C)(C)C4=CC=CC=C4)C=C3)C=C72)C2=CC=C(OC3=CC=C(C(C)(C)C4=CC=CC=C4)C=C3)C=C62)C2=CC(OC3=CC=C(C(C)(C)C4=CC=CC=C4)C=C3)=CC=C52)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C(=O)OC)N=C(C)OC1C1=COC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C2=NC3=CC=CC=C3N=C2N(CC)C2=NC3=CC=CC=C3N=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1C2=CC=CC=C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2C1=NNC(=S)NCC1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1(CSC2=CC=CC=C2)CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CCCN1CCN1CCCC1C(=O)OC;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C12CCCC(=O)C1C1CCCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC2=CC3=C(C=C12)CC1(CC2=CC4=C(C=C2C1)CCCC4)C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C1CC(OC(=O)C3=CC=CC=C3)(C3=NC=CC4=CC(OC)=C(OC)C=C34)CCN1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN(C(=S)N(C(=O)C2=CC=C(Cl)C=C2)C2CCCCC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(O)=C(CCCCCCCCC2CCCCC2)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C1(C(=O)C2=CC=CC=C2)C(=NO)C2CCC1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2N2C3=CC=CC=C3C(=S)C(C#N)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(C[PH](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC(S(=O)C3=CC=CC=C3)C(CO)O2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC([N+](=O)[O-])=C1SC1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(CC1=CNC2=CC([N+](=O)[O-])=CC=C12)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC34C=CC1C24", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCCC1C1(O)C(=O)NC2=CC(F)=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)[OH+][Ni-3]12([OH+]C(C)=O)OC3=C(Cl)C=C(Cl)C=C3C=[N+]1[N-]C(C1=CC=NC=C1)=[O+]2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C(=O)C2=CC=CC=C2OC1N1CCN(C2OC3=CC=CC=C3C(=O)C2(C)C)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1([Bi](C)C)N=NC(C(=O)OC)=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CC(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(C3=CC4=CC=CC=C4O3)=CC(=O)OC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(OC)C(C(=O)OC)C23CCCC12C(C(=O)OC)C(OC)C3C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(N=C3CCCN31)SC1=C(O)C(Br)=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;N=C(N)SCC1=CC=C2OC3=CC=CC=C3S(=O)(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C#N)=C1C=CC(=C2NCC3CCCN23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2NC3=NC4=CC=CC=C4N=C3SC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC(C(=C2CC2)C2=CC(Br)=C(OC)C(C(=O)OC)=C2)=CC(Br)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=C(C(=O)N1OS(=O)(=O)C1=CC=CC=C1)N(CC1=CC=CC=C1)C(SCC1=CC=CC=C1)=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC=CC=C2C(O)=C1C(C1=CC=C2C(=C1)CC1=CC=CC=C12)C1=C(O)C2=CC=CC=C2OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C=CC(C3=CC=CC=C3)=C3C(=O)C4=CC=CC=C4C(=O)C1=C32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)C(C#N)=CNC(=S)NN=C2C(=O)NC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1NC2(CCCCC2)ON=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CC1OCC=C2CN3CCC45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6NC4C1C2CC35", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1(C)CC[N+](C)(C)B1[C-](O)O;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C2=CC=CC=C2C2=CC(NC(=O)C3=C(C)N=C(O)N=C3NCCNCCO)=CC=C21;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2NC=C(C3C4CCC(C4)C3NCC3=CC=CC(CNC4C5CCC(C5)C4C4=CNC5=CC=C(OC)C=C45)=C3)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C)P=C1P(C)(=S)N1N=C(N(C)C)N=P1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(O)C2C(O)OC3C2N1CC3[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CCCC2OC2CCC(C)(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1CCCCC1)C(=CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(O)C(C)(C)C1=CCCC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(C2=CC=CC=C2)=NC2=CC=CC=C2N1CC1CCCN2CCCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC(NC(=O)OCC2=CC=CC=C2)C(C(=O)C2=CC=CC=C2)CC1SC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(OC1=CC=CC=N1)C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N(C=O)C2=C([N+](=O)[O-])C=C([N+](=O)[O-])C3=NC[N+]([O-])=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2C(C1NC1=CC=CC=C1)C1C(=NC3=CC=CC=C3)C(NC3=CC=CC=C3)=CC1N2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC12OC3(C4=CC=C(C(F)(F)F)C=C4)C4C5CC(C6C5C3C61)C42", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(Cl)N2C=CC(C(=O)C3=CC=CC=C3)=CC2=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NCC2=C(N1)SC1=C2CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CCN1NC(=O)C=CC1=O)=NOCCCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=CC(=C(C2=CC=C(C3=C4C=CC(=N4)C(C4=CC=C(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)C5=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C5)C=C4)=C4C=CC(=C(C5=CC=C(C(=C6C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C6)C6=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C6)C=C5)C5=NC(=C(C6=CC=C(C(=C7C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C7)C7=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C7)C=C6)C6=CC=C3N6)C=C5)N4)C=C2)C2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(C2=CC=CC=C2)C(=O)N2C3C=CC(CC4C3C4(Cl)Cl)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CNC(=NCCC1=CNC2=CC=CC=C12)OC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NC1=CC=NC=C1)C(C)=NC1=CC=NC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC(Br)=C(C2=CC(C)=CO2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2(C)SSC1(C)C(=O)N2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC12CC(C3=CC=CC=C3)C(C(=O)N1)C(=O)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CN(C(=O)C2CCCN2C(=O)C2CCCN2)C(=O)CN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CN2C3C4N(CC5=CC=CC=C5)C2C2N(CC5=CC=CC=C5)C(C(N2CC2=CC=CC=C2)N4CC2=CC=CC=C2)N3CC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=CC(=O)NC2CCN3CCCC23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC12OCCN(C)C1=CC(=O)C1=NNC(C)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N2C3C=CC(C4C(C5=CC=CC=C5)=CC43)N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(COCC2=CC=CC=C2)OCC2=CC=CC=C2)CC(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=CC=C1C=NC1=CC=CC=C1N=CC1=CC=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NCC2(CCN(CC3=CC=CC=C3)CC2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C2=NN=C(N=NC3=C(O)C=CC=C3O)C2=CC2=CC=CC=C2)C(=O)N(C2=CC=CC=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2CCCCCC2(O)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C=C(C(=O)O)C(=O)C2=CC(F)=C(N3CCNCC3)N=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=CC2=C(CC3(C2)CC2=CC(CC)=C4CCCC(=O)C4=C2C3)C2=C1CCCC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCCCCNC(=O)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C12)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC(=[N+](C)[N-]C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C2CCC(C(C)C(=O)O)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2OC=CC2=C(N=CC2=CNC3=CC=CC=C23)C2=C1OC(=O)C=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NP2(=O)N(CC3=CC=C(Cl)C=C3)CCCN2CC2=CC=C(Cl)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC=C(C=C2SC3=NN=C(C=CC4=CC=CC=C4)N3C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C=C2C=NC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(C)C2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1(O)CC2CN(CCC3=C(NC4=CC=CC=C34)C(C(=O)OC)(C3=CC4=C(C=C3OC)N(C)C3C5(OCOC5=O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2=C(C#N)C(=O)N3CCN=C3S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1(C2=C([O-])C(F)(F)C2=O)CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCCCCNC(=O)C1=CC=CC=N1)C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)C1=C(N)N(CC2=CC=CC=C2)C2(C)C=CC(=O)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC1=CC=CC=C1C1CC(C(C2=CC=CC=C2)C2=CC=CC=C2)=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CNC2=CC=C3N=NNC3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOP(=O)(O)C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)C1=CC=CC(C(NC2=CC=C(N=NC3=CC=CC=C3)C=C2)P(=O)(O)OCC)=C1;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NC(CC(O)(C2=CC=C(C(F)(F)F)C=C2)C2=CC=C(Cl)C(Cl)=C2)=CC(C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCCC(OC(=O)C(O)(C#CC2=CC=CC=C2)C2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2N=C3C(=NNC3=N)N=C2C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=CC=C1C1=NN2C(N3CCOCC3)=NC(N3CCOCC3)=NC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC(C(C)C)C(OC(=O)C=C2C3C=CC(O3)C2C(=O)OC2CC(C)CCC2C(C)C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=CC=CC=C2)C(=O)C1=C1SSC(=C2C(=O)N(C3=CC=CC=C3)N=C2C)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCC1(C(C)C(OC(C)=O)C2=CC=C3OCOC3=C2)CC(OC)C=CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OC1C#CCSCC#CC=C1)C1=CN=C2C=CC=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(C2=CC=CC=C2)C2=NC3=CC=CC=C3N=C2N1C1=CC=C(Cl)C(Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC=CCC=CC1CC(=O)NCCCNCCCCN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=CC(C3=NN(C4=CC=CC=C4)C(C4=CC=CC=C4)=C3)=NN2C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)CN1C(C)=NC2=NN(CC3=CC=CC=C3)C=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(OCC1=CC=CC=C1)C1OC2(C)CCC(=O)C1O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(C=CC3=C2CCCC3)CC1CC1=CC=C2CCCCC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CC[N+]([O-])=C(C1=CC=CC=C1)C12CC3CC(CC(C3)C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(C=NN(CC1=CC=CC=C1)C15CC6CC(CC(C6)C1)C5)=C(O)C4=C3C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C3=C(CCC2=C1)S(=O)(=O)CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC(=CC2=CC=CC=C2)C(=O)C(=CC2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CC=C2OCOC2=C1)(NC(=O)C1=CC=CC=C1)P(=O)(OC)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2CCCSCCN(S(=O)(=O)C3=CC=C(C)C=C3)CCCSCC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1OC(C2=CC=CO2)C(F)(F)C(F)(F)C1(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CCC=C(C(=O)O)CCC2C1CC2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(=O)C(CCN1CCC2(CCCC3=CC=CC=C32)CC1)(C1=CC=CC=C1)C1=CC=CC=C1;O=C(O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=CC2=C(C(=O)C3=CC=CC=C3)C=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=NC(Cl)=NC(NC2=CC=CC3=CC=CC=C23)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=NNC(=O)N1N1C(=O)CCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)C)=C(OC2=CC(CC3C4=CC(OC)=C(OC)C=C4CC[N+]3(C)C)=CC=C2OC)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC#[N+][Rh+2]1234[O+]=C5N(C(=O)C6=CC=CC=C6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)C5=CC=CC=C5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)C2=CC=CC=C2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)C2=CC=CC=C2)CC1C(=O)OC", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC(=O)OC(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)ON=C1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NC1=C(C2=CC=CC=N2)C(=O)C2=C3C1=CC=CC3=CC=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C=CC=C(CO)CCC=C(C)C)C1CCC2(C(CCCO)C(=C(C)C=O)CCC2(C)O)C1O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(CCCC2)NC2=C1C=CC1=C2C(=O)C2=C(CCCC2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC2=NC3=NC(Cl)=C(Cl)N=C3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CN2COC3=C(C=CC4=C5OCN(CC6=CC=CC=C6)CC5=CC=C34)C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2NC3=CC=CC=C3C3OCCCC23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C(C2=CC3=C(C=C2O)OCO3)C(C(C)=O)C(C)=O)=CC(OC)=C1OC;COC1=CC(C(CC(C)=O)C2=CC3=C(C=C2OC(C)=O)OCO3)=CC(OC)=C1OC;COC1=CC(C2C3=CC4=C(C=C3OC(C)(O)C2C(C)=O)OCO4)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C(C2=NC3=CC=CC=C3S2)[N+]([O-])=C2C=CC=CC2=[N+]1[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1C2=C(C(=O)NCC2)C2OC(O)C3=C(CCNC3=O)C2C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1C2OC2C2C1C1CC2C2OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1[C-]([Fe+2]2345(C#[O+])(C#[O+])C6=C2[C-]3C4=C65)CC2(C)C(=O)C3=C4C5=C(C12)[Fe]345(C#[O+])(C#[O+])C#[O+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1SSC(Cl)=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2C(=CC3=CC=CC=C3)C(=O)C3=CC=CC=C3C3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CC1=CC=C2OCOC2=C1C1=C(C=O)C=CC2=C1OCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(S(=O)(=O)NC2=NN=C3C=NC4=CC=CC=C4N23)=C(S)C=C1Cl", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "SC1=NC2=C(CCCCC2)C(C2=NC(S)=NC3=C2CCCCC3)=N1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CCC(CCC2CCC3(OC2)OC2(O)CCC3(C)OC2(C)C)C(C)(C)C1CC=C1C(=O)OCC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2C=CC1C1C3OC3C(=O)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC(=O)C1=CC=CC=C1CNC(=S)NC1=CC=CC(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCN1C(=O)C(N2CCN(C3=CC=CC=C3)CC2)=NC2=C1C1=CC=CC=C1S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O+]#C[Ni-3]12(C#[O+])[PH](C3=CC=CC=C3)(CC[PH]1(C1=CC=CC=C1)C1=CC=CC=C1)CC[PH]2(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC(O)C1=CN(C(NC(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)N=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CCCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC(O)C(OCC1=CC=CC=C1)C(NCC1=CC=CC=C1)C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=NC(NC2OCC(O)C(O)C2O)=C(NC2OCC(O)C(O)C2O)C(=O)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=CC=C2C3=CC=CC=C3C3=C4C(=CC=C3)SC1=C24", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(C1=CC=C2OCOC2=C1)C1=CC=C2OCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCC1(N=[N+]=[N-])C(=O)C2C=CC=C3C4=CC=CC=C4N(C1=O)C32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(C2=NC3=CC=CC=C3S2)=CC(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2(C3=CC=CC=C3)C(=CC1=O)CCN2C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CNC2=CC=CC=C12)C(=O)C1=CC=C(O)C(O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C(=O)NC2=CC=C(S(=O)(=O)O)C3=CC(S(=O)(=O)O)=CC(S(=O)(=O)O)=C23)C=C1NC(=S)NC1=CC(C(=O)NC2=CC=C(S(=O)(=O)O)C3=CC(S(=O)(=O)O)=CC(S(=O)(=O)O)=C23)=CC=C1C;[NaH]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCC2SSC3CCCCC3SSC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1C2=CC=CC=C2C2(C3=CC=CC=C3)OOC1(C1=CC=CC=C1)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(NC(C(=O)N3CC(CCl)C4=C3C=C([N+](C)(C)CC3=CC=C([N+](=O)[O-])N3C)C3=CC=CC=C43)=C2)C(OC)=C1OC;O=S(=O)([O-])C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=COC1=NC1=CC=C(Cl)C(Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(CCCC(N)P(=O)(O)C1=CC=CC=C1)P(=O)(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O+]#C[Cr]12(C#[O+])(C#[O+])[PH](CCP(C3=CC=CC=C3)C3=CC=CC=C3)(C3=CC=CC=C3)CC[PH]1(C1=CC=CC=C1)CC[PH]2(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2COC(C)(C)OC(C3SCCCS3)C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COP1(OC)=[S+][Fe-4]23([S+]=P(OC)(OC)[SH+]2)([S+]=P(OC)(OC)[SH+]3)[SH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=NC(SSC2=NC=CC(O)=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(NC[Si]23OCCN(CCO2)CCO3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC(N(O)C3C4CC5CC(C4)CC3C5)C(CO)O2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OC(C(=O)C2=CC=CC=C2)C2OC(C)(C)OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3C(O)C=C3CC=CC(=O)C31C)C(=O)OC24C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C12OC(OCC)(CC1(OCC)OCC)C1(CC1)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NNC2=C1SCC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(OC(=O)C(C)C)C(OC(C)=O)C(OC(C)=O)C(C)(C)C2OC2C(C)C(=O)C2(OC(C)=O)CC(C)(OC(C)=O)C(OC(C)=O)C2C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)CC(=O)CC2=NC3=CC=C(Cl)C=C3N=C2O)SC(NC2=NN=C(C3=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C3C)O2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=NNC1=NC(C)(C)P(=O)(N2CCCC2C(=O)O)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1;O=C(O)CC(O)(CC(=O)O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)OC(C2CCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCCCCCCNC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(N=C1C)C(=O)N1CCSC1=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1NC(N=NC2=CC=C([N+](=O)[O-])C=C2)(P(=O)(OC(C)C)OC(C)C)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=NC(C)=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NS(=O)(=O)C1=CC=C(CNC(=O)C2=CC=CC=C2SC(=O)CCCC[N+]2=CC=CC=C2)C=C1;[Br-]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)C(C(=O)C1=CC=CC=C1F)C1OC(=O)C2C=CC=CC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2=CN=C(NC3OC(COC(=O)C4=CC=CC=C4)C(OC(=O)C4=CC=CC=C4)C(OC(=O)C4=CC=CC=C4)C3OC(=O)C3=CC=CC=C3)S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(C(=O)N1C1=CC=CC(Br)=C1)C(C1=CC=CC=C1)=C(C1=CC=CC=C1)C(C1=CC=CC=C1)=C2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NCC(C2=CC=C(Cl)C=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(=O)N(C1=CC=CC=C1)C1CCN(CCC2=CC=CS2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1C2C=CC(C(C=CC3=CC=CC=C3)N2)C1C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1O)C1CC(CC3CCCCN31)OC(=O)C=CC1=CC2=C(O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCN1C=CN2C3=NC4=CC(C)=C(C)C=C4N3C(C(=O)OC)=C(C(=O)OC)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-][N+]1=C2CCC(=NO)C(=NNC3=CC=CC=C3)C2=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;CN(C)C1=NC(=NCC2=CC=CN=C2)SS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCC1=C(O)C(=O)C=C(NC2CCCCC2N)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CNC(=O)NC1=CC=C(NC(=O)NCC(=O)NC2=CC=C(C3=NCCN3)C=C2)C=C1)NC1=CC=C(C2=NCCN2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC(OC2C3CC4CC(C3)CC2C4)=NC(Cl)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N2CC3=C4CN5C(=O)N6CC7=C8C=CC(=C7CN1C6(C1=CC=CC=C1)C25C1=CC=CC=C1)OCCOCCOC1=CC(Br)=C(Br)C=C1OCCOCCOC3=CC=C4OCCOCCOC1=CC(Br)=C(Br)C=C1OCCOCCO8", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC2(C)C3=CC=CC=C3NC(=O)C12", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1=CC=CC=C1C1=NC(C2=CC=CC=[N+]2C)=NC(C2=CC=CC=[N+]2C)=N1;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2CCCCC2C2CC34CCCCC3C(C(=O)O4)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C12CCC(C3=C(C)C=CC=C3C)(O1)C(C(=O)OC)=C2C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(NC2=CC=C(NC3=CC=CC=C3)C=C2)CC(C)(C)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C3=NN=C(SCCSCCSC4=NN=C(SCCSCCS3)C3=CC=CC=C43)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(S)N=CN=C2N1NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2CC(=O)NC(=O)CC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C(SSC(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=CC2=CC=C([N+](=O)[O-])O2)C(=O)N(CCC2=CC=CC=C2)S(=O)(=O)N1CCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CO1)N(C(=S)N1CCN(C2=CC=CC=N2)CC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC2=C(C=C1C(C1=CC3=C(C=C1O)OCO3)C1=CC3=C(C=C1O)OCO3)OCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=C2CCCCC2=CC2=C1OC(C1=CC=CC=C1)=CC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCC2=C1CC1=C(CCCC1=O)N2C1=CC=C(C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCO;CCOC(=O)NC1=CC2=C(N=C(CN(C)C3=CC=CC=C3)CN2)C(N)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC(=O)C1=CC=C2OCCOCCOCCOCCOCCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2N=C(C3=CC=NC=C3)[OH+][Cu-5]234(O)[OH+]C(C2=CC=NC=C2)=N[N+]3=C(C)C2=CC=CC1=[N+]24", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2N2C3=NC4=CC=CC=C4N=C3C(C#N)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2NC2=C(Cl)C=C(Cl)C(N3CCCCC3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2CN(C)CC(C=C(C3=CC=CC=C3)C3=CC=CC=C3)C2=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=CC2=CC3=C(S2)SC2=CC=CC=C2C3=O)NC(=S)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2=C3C1=C(CC1=CC=C4C=CC=CC4=C1)C=CC3=CC=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(SC2=NC(=CC3=CC4=C(S3)SC3=CC=CC=C3C4=O)C(=O)N2C2=CC=CC=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=CC(Cl)=C1C1CSC2=CC=CC=C2N=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2N=C(NCCSSCCNC3=CN=C4C=CC=CC4=N3)C=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCCC(=NNC(N)=O)C12CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC(C(C)C)C(OC(=O)C(C(=O)OC2CC(C)CCC2C(C)C)C(O)C2OC(C)(C)OC2C2COC(C)(C)O2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)NC(C=CC1=NC3=CC(OC)=C(OC)C=C3N1)=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1NC(=O)C2=C1C(=N)NC(=O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NNC2=C1C(C)=NN2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(C(=O)O)C2=CC=C3OCOC3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=C(Cl)C1=CN=C(O)N=C1O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C2=C(OC=C2C)C(=O)C2=C(O)C=C(OC)C(C)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)[N+]1=C(C2=CC=C(Cl)C=C2)OC(C2=NC(N)=NC(NC3C4CC5CC(C4)CC3C5)=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CN1C(=S)NC2=CC=C([N+](=O)[O-])C=C21)C(=O)C1=CC=C2C=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=NCC2=CC=CC=C2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C3=CC=C4OCOC4=C3)C(=O)C2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=O)C(C2=CC=CC=C2)S(=O)(=O)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)OC2CCC=CCCC2C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH](CC2=CC=CC=C2C[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(C=C(OCC(=O)N5C(C)CCC5C)C4=C3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C2(CCC)C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(C)S(=O)CS1;CC1CC(C)S(=O)CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)NC(C)(C)C(=NO)C(=NO)C1=NO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C3=C1C(=O)C1=CC=CC(O)=C1O3)C(C1(C)CO1)CO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=NN=CN1C12C3C4C5C3C1C5C42", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(OCC1=CC=CC=C1)C(=O)N1CCS(=O)(=O)N2CCCC2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCN1C(=S)SC2=C(O)N=CN=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1C(OC2CCCC2(C2=CC=CC=C2)C2=CC=CC=C2)O[N+]([O-])=CC1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCS1=C(C(C)=O)C(=O)OC(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(O)C1CCC23CCCC(=O)C2(C1)C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CNC2C(C3=CC=CC=C3)=NN(C3=CC=CC=C3)C2C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1C=CCN1C(=O)C1C=CCN1C(=O)C1C=CCN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CC(CO)NC(=O)OCC2=CC=CC=C2)C=C1OC1=CC=C(CC(CO)NC(=O)OCC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1N(C)C(=O)OC12CCN(CCCC(=O)C1=CC=C(F)C=C1)CC2;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=NC2=CC=C([N+](=O)[O-])C=C2S1)C(=O)C(C(=O)C1=CC=NC=C1)C1OC(=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCC1=C2CCCCC2=[N+]([O-])C2=C1CCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NN=C(COC2=CC=C(Cl)C=C2Cl)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC=C(C2=NN(CC)C(=O)C(C3C(=O)N(C4=CC=CC=C4)N=C3C)C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1N=CN2C1CC(OCC2=CC=CC=C2[N+](=O)[O-])C(CO)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C(=O)OCC1=CC=CC=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1=C2C=CSC2=CC2=C1SC=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=CNC1=CC=C(C2=CC=CC=C2)C=C1)C=NC1=CC=C(C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(CC1=CC=C2OC3=CC=CC=C3SC2=C1)N1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+](C)(C)CC(=O)NN=C(CC1=NC2=CC=C(Cl)C=C2N=C1O)C1=NC2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(O)=N1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N=C2SC(=NN=C3SC4=CC=CC=C4N3C)SC2=NC2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(O)=C(C2=CC=CC=C2)N(O)C2=CC=C(Cl)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1(O)CC2(C3=CC=CC=C3)C(=O)C1(C1=CC=CC=C1)C(C1=CC=CC=C1)=C2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CCCC2(C)C1CCC1(CO1)C2C=CC(C=O)CC=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC=CC2=C1N=C(NC(=O)C(=O)C(C#N)C1=CC=CC3=CC=CC=C13)S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2N2C3=NC=CC=C3C(=S)C(C#N)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2OCC(OC3CCCCO3)CO2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C2C3=CC=CC=C3C(C#N)(CC3=C2C2=C(C=C3)OCO2)N1C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(OC3(O)C2=CC(=O)C=C3C(C)(C)C)C(C(C)(C)C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])N=C1N=C2SC=C(C3=CC=C([N+](=O)[O-])C=C3)N2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1C=CN(C2CC3OCC3O2)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC(CSC(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC1=CC=C([N+](=O)[O-])C=C1)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NN=C(C2=CC=CC=C2NC2=CC=CC=C2C2=NNC(=S)N2C2=CC=CC=C2)N1C1=CC=CC=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CS1(C)=NC(=O)C2=CC([N+](=O)[O-])=CC=C2N=1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1CN2CCC1CC2C(O)C1=CC=NC2=CC=C(OC)C=C12;O=S(=O)(O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(C(=O)N3C1=NC1=CC=CC=C13)C(C)(C)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(=O)C=C1CCC1C3CCC4(OCC4=O)C3(C)CC(O)C12F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NC2(CCCCC2)NC12CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NNC(=S)N1CCCC1)C1=CC=CN=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)SC1=C3C2=NC=CC3=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCOC(=NC1=CC=CC=C1)N(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NN3CN(N2)C2=CC=CC=C2OCCCOC2=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2N1C1CCN(CCOC2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1OC(=O)C(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)C(O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1(C2=CC=CC=C2)C[N+]2=C(C3=CC=CC=C3)C=C(C3=CC=CC=C3)C=C2C2=CC=CC=C21;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCSCCCCCSCCCCCSCCCCCSCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=C(O)N=C2C=CC=CC2=C1O)CC(=O)C(=O)NC1=CC=CC(O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=O)N(C2=NC=CS2)C(=O)C(=O)C1C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2(CC1)NC1=C(CC(C)CC1)C1=C2CC(C)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(OC1=CC=C(C2CC2Cl)C=C1)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NNC(=S)NC1=CC=CC=C1)C1=CC=CC=C1NC1=CC=CC=C1C(=O)NNC(=S)NC1=CC=CC=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(NC(=O)C(F)(F)F)C2=C(Br)SC(N3CCNCC3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC1C2C(=O)NC(=O)C1C(=O)NC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C2OCOC2=CC2=NC3=CC=CC=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=NC2=C1C(=O)C1=C(C2=O)N(C)C(=O)C=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(N)N2C(=C1C1=CC=CC=C1)SC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C(=S)NC2=C(C3=C(CCCCC3)S2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(=O)N1C1=CC=CN=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(C=C2SC3=[N+](C(C4=CC=C([N+](=O)[O-])C=C4)=CS3)C2=CC2=CC=C([N+](=O)[O-])C=C2)C=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(=CN1C(=O)C(=CC(C)=CC2=CC=CC=C2)SC1=S)C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=C(SC=C(C1=CC=CC=C1)N1CCN2C(C(=O)C3=CC=CC=C3)=C(C(=O)C3=CC=CC=C3)C(C(=O)C3=CC=CC=C3)=C12)C(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1N=NN(C2CCCN2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CC(Br)(Br)C(=O)C3C1CCCC32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(COC(=O)NC(C)C)C(COC(=O)NC(C)C)=C2CS(=O)CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2C(O1)C(O)CN1C(=O)C3=CC=CC=C3C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CSC(C(NC2=NCCO2)C2CC2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C)C2=C(O)N=C(CN3CCOCC3)N=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=CC=C(S(=O)(=O)NS(=O)(=O)C3=CC=C(C4=CC=CC=C4)C=C3)C=C2C(=O)N1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC(=O)C1=CC=CC=C1NC1=CC2=CC=CC=C2C(=O)C1=O)C(=O)NC1=C(Cl)C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NN=C2CC3CC4CCC2C4C3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(OC1CC12CCCCC2C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(#CCN1CCCCCC1)CN1CCCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1(COP(=O)(OCC2=CC=CC=C2)OCC2=CC=CC=C2)COC(COP(=O)(OCC2=CC=CC=C2)OCC2=CC=CC=C2)(OCC)CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(C(O)CO)C(C(O)CO)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NC1=CC=CC(C2=CC=CC=C2)=C1)NC1=CC=C(Br)C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCCC1CC2=CC=CC=C2C1=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3C(=O)C3=CC=C(C4CC(OC5CCC(OC6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O4)C(O)=C3C2=O)CCC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1)N1C(=O)CSC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1CCN2C(=NC3=C2N(C)C(=O)N(C)C3=O)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN2C(=C1)C1=CC(Cl)=CC=C1NC(=O)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CC2=C(NCNS2(=O)=O)N(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O+]#C[W](C#[O+])(C#[O+])([PH](C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)([PH](C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[PH](C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCC(C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2C=CC(C2)C(C2=CC=C(O)C=C2)N1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2C2=C(C3=CC=CC=C3)C=C3C(=O)C=CC(=O)C3=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1OC2=CC=C3C=CC=CC3=C2C=C1C(N)=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)[OH2+])C=C1;CCC1C[N+]23CCC4=C(NC5=CC=CC=C45)C2CC1CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)N1C(=C(C#N)C#N)C(C2=CC=CC=C2)CC1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C3C(=CC([N+](=O)[O-])=CC3=CC=C2)C(=O)N1C1=CC=C(OCCN2CCCC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(C)CC2(C=C(CO)C(O)O2)OC2=C1C(=O)OC1=CC=CC(C)=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(NC2=NN=C(C3=CC=C(Cl)C=C3Cl)S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12SC3(C)SC(C)(S1)SC(C)(S2)S3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC(=O)C1=CN(CCN2CCNCC2)C(=O)NC1=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(NC(=O)C(C)OC2=CC=C(OCC3CCCCC3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C)C2=CC3=C(C)C(C(=O)OCC)=C(C)N3[Cu-3]3(N4C(C)=C(C(=O)OCC)C(C)=C4C=C4C(C)=C(C(=O)OCC)C(C)=[N+]43)[N+]2=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[PH](C)(C)[Ir+]123([PH](C)(C)C)([PH](C)(C)C)C4=C1CCC2=C3CC4;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(N=C(C1=CC=C(F)C=C1)C1=C(N2C=CC=C2)SC=C1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C2=C(NC(=O)OC2=O)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=CC=C1)NC(=S)NCC1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1C(CCC=CC2=CC=CC=C2)CCCCN1C(=O)OC(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(C2=CC=CC=C2)C2=CC=CC=C2CCC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)SCCC2NC1=NCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC3=C2C(=O)C2=C(C=CC=C12)OCCOCCOCCOCCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NN=C(CN2C3=CC=C(Br)C=C3C3=NC4=CC=CC=C4N=C32)N1C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=NS(=O)(=O)C3=CC=CC=C3N2C)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C2=CC=CC=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC(C2=CC=C(C3=CSC=C3)S2)=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(CO)=C1CC2(OC1=O)C1OC1C1(O)C3C(=O)OC(C(OC)C21C)C3(O)C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NC(CO)C(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(=O)O[Pt-2]2(NC3CCCCC3N2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2OC3(C4=CC=C(Cl)C=C4)OC(C4=CC=C(Cl)C=C4)(OC4=CC=C(C)C=C43)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2(C3=CC=CC=C3)OCCO2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCC1=NN(C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C(C2=CC=CO2)=C1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)[N+]([O-])=C(C(=O)CC(=NOCCCC1=CC=CC=C1)C(=O)NC13CC4CC(CC(C4)C1)C3)C(C)=[N+]2[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1C2=CC=CC=C2SC2=C1C=CC1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CN2CCC3(CC2)SSC2(CCN(CC4=CC=CC=C4)CC2)SS3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CC1=CC=CC=C1CC(=O)N1C2=CC=CC=C2C(=O)NC2=CC=CN=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2CC(CC(=O)N2)C1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C)C(C(=O)CC2OC(O)C(Cl)C2Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2CCC(C1)S2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3C(CCC4C5=NON=C5CCC43C)C1CCC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1)OCC1=NC2=C(N1)C(=O)C=CC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1(C)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CC(C(CC1=CC=CC=C1)=NNC(=S)NN)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=CC=CC3C4=NC5=CC=C6C=CC=CC6=C5N=C4C(=C1)C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=C(O)N(C2=CC=CC=C2)C(=S)N(CC2=NC3=CC=CC=C3N2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C(SSC2=NN=NN2C2=CC=CC=C2)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC(NNCC2=CC=CC=C2)=NC(O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(C2=CC=C(C3=NN4C(CNC5=CC=CC=C5Cl)=NN=C4SC3)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CSC2=CC=CC=C2CN2C=CC=C2)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1C2CCC3=CC(=O)CCC3C2CCC1(C)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)CS(=O)N(C2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Pt-4]2(Cl)(Cl)(Cl)[N+]2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2N=C2SC(N=CC=CC3=CC=CC=C3)=NN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CCOC1=CC=C(C(=C2CCCCC2)C2=CC=C(OCCN(CC)CC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(OC)NC(=N)C2(C#N)C(C)CC(=O)N(N(C)C)C12C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NC1=CC=CC=C1C(=O)N1C(=O)C2=CC=CC=C2C(=O)N(C(=O)C2=CC=CC=C2N=[N+]=[N-])C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3C(CCC4=CC(=O)CCC43C)C1CC1=C(N2)NN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)N(C2=C(C)C=CC=C2Cl)C(C=C(O)C2=CC=NC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CC=C(O)C(O)=C1)C(=O)NC1CCCC(NC(=O)C(C#N)=CC2=CC=C(O)C(O)=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C=CC(=O)CC(=O)C=CC2=CC=C(O)C(OC)=C2)=CC=C1O;COC1=CC(C=CC(=O)CC(=O)C=CC2=CC=C(O)C=C2)=CC=C1O;O=C(C=CC1=CC=C(O)C=C1)CC(=O)C=CC1=CC=C(O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC(C2=NCCN2)=C1)NC1=CC=CC(C2=NCCN2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C=C2NC(=[Se])N(C)C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1[PH](F)(F)[Ni]234[PH](F)(F)N(C)[PH](F)(F)[Ni]([PH]1(F)F)([PH](F)(F)N(C)[PH]2(F)F)([PH](F)(F)N(C)[PH]3(F)F)[PH](F)(F)N(C)[PH]4(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=[N+](C2=CC=CC=C2)[Se]C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(Cl)=[N+]2N=CN(C3C=CC(=O)CC3)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC=C(N=C(NC(=O)C2=CC=CC=C2)SC)C=C1;I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(Cl)=C2OC(=CC3=CC=CO3)C(=NO)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1CC2(C1)CC(C(N)=O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2C(=O)N(C3=CC=CC=C3)C(=O)N2C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CCN2COC3=CC=C4C=CC(=O)OC4=C3C2)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)(C2=CC=C(C3=CC=CC=C3Cl)C=C2)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC=CC(=O)C4(C)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OC2COC(C)(C)OC2C(OC(C)=O)C1NC(=O)N(CCCl)N=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCCCCCCCCCC1=CC=CC=C1)C1=C(O)C=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C)C(NC(=O)CCC(=NNC(=O)C2=C(O)C=CC3=CC=CC=C23)C(C)C(=O)C2=CC=C(O)C=C2)=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(CCN1CCCC1)CC(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC1=CC=C2C=CC(=O)OC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(C1=CC=C(NCSC2=NC3=CC=CC=C3S2)C=C1)C1=CC=C(NCSC2=NC3=CC=CC=C3S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)O;NC1=NC(N)=C(CCC2=CC=CC=C2)C(N)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1C(CCCOCC2=CC=CC=C2)C2CCCC23CC2(CCN13)OCCS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C(O)=CC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)NC(=O)OCC1=C2CS(=O)(=O)CN2C(C2=CC=C(Cl)C(Cl)=C2)=C1COC(=O)NC(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(SC2=C3C=CC=CC3=NC=C2SCSC2=CN=C3C=CC=CC3=C2SC2=CNC3=CC=CC=C3C2=O)=CNC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+](C)(C)C;[O+]#C[Cr]1(C#[O+])(C#[O+])(C#[O+])[N+](C2=CC=CC=C2)=N[NH+]1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=CC=CC3=C2C(=O)N(C)C=N3)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(N)=C(N=NC2=CC=C(S(=O)(=O)NC3=NC=CS3)C=C2)C(=O)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)(C2=CNC3=CC=CC=C23)CC(C)(C)C2=C1NC1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC(=O)C(CC2=CNC3=CC=CC=C23)N1C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CS(C)=[O+][Ru-4]([ClH+])([ClH+])([ClH+])([ClH+])[N+]1=CC2=CC=CC=C2[N-]1;[Na+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1C2C=CC(C2)C1C1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N=C1SC(NC(=O)OCC)=NC2=C1N(C)C=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(C1=CC=CC=C1)C1=C(C2=CC=CC=C2)OC(C2=CC=CC=C2)=C1C(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(OP(=O)(OC2=CC=C([N+](=O)[O-])C=C2)OP(=O)(OC2=CC=C([N+](=O)[O-])C=C2)OC2=CC=C([N+](=O)[O-])C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=NOC(C2=CC=CC=C2)=N1)C1=CC=CC=C1CNC1=NOC(C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=CC=C1O)C(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CC=CS1)C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C(=O)OCC)C(C(=O)OCC)=C2SC3=CC=CC=C3N=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=NC(C(=NNC(N)=O)C(=O)NC2=NC3=CC=C(C)C=C3S2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC(=CC3=CC=CC=N3)C(=O)C3=C2C1=CC=C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1OC(C#N)(C#N)C(C#N)(C#N)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1CC2CC(OCC3=CC=CC=C3)CC2C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NOC(NS(=O)(=O)C2=CC=C(N=C3C4=CC=CC=C4N(CC4=CC=CC=C4)C4=CC=CC=C34)C=C2)=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1C=C2NC(=O)C=C3CSC(=N1)N32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COCC1C(=O)NCC(=O)N2N=CCCC2C(=O)N(O)C(C)C(=O)OC(C(C)C)C(NC(=O)C(C)(O)C2(O)CCC(CC(C)C)C(C)O2)C(=O)N2NCCCC2C(=O)N1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl[Pd-4]12([S+]=C3N=CNC4=C3N=CN4)([S+]=C3N=CNC4=C3[N+]1=CN4)[S+]=C1N=CNC3=C1[N+]2=CN3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(OC)C=C6O5)=CC=C4OC)=C3O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)[O-])C=C1;C[N+]1=C2C(C#N)=C(NCC3=CC=CO3)C3=CC=CC=C3N2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CCC2=CC3=C(C=C2O1)OCC1C2=CC4=C(C=C2OC31)OCO4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC(CO)CC1=CC=C(OC2=CC(CC(CO)NC(=O)OCC3=CC=CC=C3)=CC=C2OC(=O)OCC2=CC=CC=C2)C=C1)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C(=NNC(=O)C1=CC=NC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=NC(C2=CC=C(Br)C=C2)=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC(=O)NN=CC1=CC(S(=O)(=O)O)=C2C=CC=NC2=C1O)NN=CC1=CC(S(=O)(=O)O)=C2C=CC=NC2=C1O;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(N2C(C)=C(C(C)=O)C(C3=CC=CO3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)NCC1OCC2=CC3=C(C=C2C12C=CCCC2)OCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CN2CC(C3=CC=CC=C3)OC2C2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=C(C2=CC=C(OC)C=C2)CCC2(CCNC2)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=S)NN=C1C(=O)N(CCC2=CC=CC=C2)C(=O)C1C(=O)NCCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)COC2=CC=CC=C2C2=NC=NC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)N1CCN1N=C(C2=CC=CC=C2)C=C(C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=C2NC3=CC=CC=C3C2=C(C(C)C)C2=C1C1=CC=CC=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC(=O)C(C#N)=C1C[N+]1=CC=CC=C1;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C2N=C3C4=C(N=C5C(O)=NN=C(O)C5=N4)C4=NC5=C(O)N=NC(O)=C5N=C4C3=NC2=C(O)N=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1CN(C2=CC=CC=C2)C2(CCN(CC(CC3OCCO3)C3=CC=C(F)C=C3)CC2)C1=O;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(N=CN2CCCCN2C=CN=C2[N+](=O)[O-])N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=CC=CC=C2)C(=O)C1=C1SCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(O)C=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2OC(C2=CC=C(O)C(O)=C2)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(N=NC2=CC=C(C(=O)NC3=CC=C4C=C(S(=O)(=O)O)C=CC4=C3)C=C2)=C(N)C(N=NC2=CC=C(N=NC3=CC=C(O)C(C(=O)O)=C3)C=C2)=C1N", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)C(=C(C)C)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)P1CCP(C2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CN(C=CC2=NC3=CC=CC=C3N=C2O)C(=S)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)OP(=O)(OC(C)C)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C(N)(N)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(SC)N=C(C2=CC=C(Cl)C=C2)SC1=N;[O-][Cl+3]([O-])([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(N2CCOCC2)C(N2CCOCC2)=C(C)C(=O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC(C2=CNC=C2C(=O)OCC2=CC=CC=C2)=CN1S(=O)(=O)C1=CC=C(C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C2NOC(=O)N=C2NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NS(=O)(=O)C1=CC=C(NC(=S)NC=C2C(=O)NC3=CC=CC=C3C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CCC23COC(CC(C)C2C)C3(Cl)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1SC(C2=CC=C(Cl)C=C2)(C2=CC=C(Cl)C=C2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(CC(=O)C2=CC=C3OCOC3=C2)C2=C(O)C3=CC=CC=C3OC2=O)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2OCOC2=C(C)C2=C1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])([PH](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[OH+]2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC(C)(C)C12CC3C(=O)NC(CC(C)C)C(=O)N3C1N(C(C)=O)C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C=C2NC(=S)SC2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2C(C3=CC=CC=C3)=CC(C3=CC=CS3)=C2C2=CC=CS2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC2=C(C(F)(F)F)ON=C2C2=CC=CC=C12)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2CC3N(C)CCC4(CC5C=CC34C(C(C)(C)O)C5)C2=C1OC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCC2(CO1)CC1C=CC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC12COC(=O)C1C(C1=CC=C3OCOC3=C1)C1=CC3=C(C=C1O2)OCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=CC1=CC=CC=C1)C=C1N=C(C2=CC=CC=C2)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(C2=CC=CS2)N2C(=O)NC(C3=CC=CS3)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OCC2OC3(C4=NC(C#N)=C(N)O4)OC(C)(C)OC3C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C=CN=CC2=CC2=C1SC1=CC=NC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C(=O)C1=CC=C(CC2=CC=C(C(=O)C(=O)C3=CC=CC=C3)C=C2)C=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CN(CCCO)C2=NC(=CC3=CC=CC=C3)C(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2CCCCC2C(=O)N1N1C(C2=CC=CC=C2)=NNC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)CCSC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=CC1C2C3(CCC(C)C12C)OCCS3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[NH+]CC(=O)OC(COCC1=CC=CC=C1)COCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OCC(COC(=O)NCN2C=C(C3=CC=CC=C3)N=N2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C3CC4C5CC(C(C53)C1NCC1=CC=CC=C1)C42;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(SSC(=S)N(CC1=CC=CC=C1)CC1=CC=CC=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(NNCC[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CSC(C2=CSC=C2C2=CSC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC(O)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=CC=C1)CC(=O)CCC(=O)NC1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN=C1C1=CC=C(NC(=O)NC2=CC=C(NC(=O)NC3=CC=C(C4=NCCN4C)C=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(C=C(OCC(=O)N(C)C5CCCC5)C4=C3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;NCCCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)ON1C(=O)CCC1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=NC(=O)C2=NC=CN(CCO)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=C2SSC=C2N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CN(C(=O)N2CN(C)C(=O)N(C)C2)CN(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=O)C(C(=O)CC(=O)NC2=CC=CC(C(F)(F)F)=C2)C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)N1CCC2CCC=C(C3=CC=CC4=C3OCO4)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(N=NC2=CC=CC=C2)=CC2=C1[OH+][Fe-2]1([OH+]C3=C(C=NN1C(N)=S)C=C(N=NC1=CC=CC=C1)C=C3OC)N(C(N)=S)N=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O[Bi](C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(NN=C(C)C2=O)C(C#N)=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OC1=C(Br)C=C(Br)C=C1C(=O)OC1=CC=CC=C1)C(=O)OC1=C(Br)C=C(Br)C=C1C(=O)OC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCC1=C(C2=CC=CC=C2)NC2=CC=CC=C12)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C2=CC=CC=C2C2=C3N=CC4=CC=CN4C3=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC=CC(O[Si](C)(C)C(C)(C)C)C1CC2OC(=O)CCCC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=O)C(C2=CC=C(OC)C=C2)C2OC(=O)C(Cl)=C2Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NCC(C2=CC=CC=C2)(C2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C3C(=CC([N+](=O)[O-])=CC3=CC=C2)C(=O)N1NC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Co-3]1(O)([N+]3=CC=CC=C3)[S+]=C(NC3=CC=CC=C3)[N-][N+]1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CP1(=S)CCC2=C1C1=CC=C(O)C=C1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NC2=NC(=CC3=CC=CO3)C(Cl)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=S)C2=C(C3=CC=CC=C3)N(C)C(=S)C2=C1C1=CC=CC=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CC(C(=O)OC)=C1CCC2=C1N1CCCC1C2(CC(=O)OC)C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C3=C(C4=CC(OC)=C(OC)C=C4C3C)N(CC3=CC=CC=C3)C(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N=C2SC(=S)N(CCC[N+](C)(C)C)C2=NC2=CC=C(C)C=C2)C=C1;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CN2CCC(NC3=CC=CC=C3)(C3=NN=NN3CC3=CC=CC=C3)CC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CCCN(CCC#N)C1=CC=C(C(SC2=CC=CC=C2)C(NC(=O)C2=CC([N+](=O)[O-])=CC=C2Cl)C(=O)SC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=C(O)NC2=CC=CC=C2N1)C(=NNC(N)=O)C(=O)NC1=CC=CC=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C(N)SCC1=CC=CC=C1;O=C(O)C1CC2C3C=CC(C3)C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=C(C(=O)NC2=CC=CC=C2)SC(C(=O)NC2=CC=CC=C2)=C1CC(=O)NC1=CC=CC=C1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C3=C(C)C(=O)C(C)(C)CCC3(C)C2(C)CCC(C)(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=COC(C2=CC(C3=NOC(C4=CC=CO4)=C3)=NO2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C2N=NC3(C4=CC=CC=C4OC4=CC=CC=C43)C2=C(O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC=CC=C2C(=O)C1=CNC(=S)NCCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N2C=C(C3=CC=C(Cl)C=C3)C3=C2N=CN2N=C(C4=CC=CS4)NC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1OC2(C)C3=CC=CC=C3C1(C)C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=C1SC(OC)(N(C)C2=CC=CC=C2)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(NP2(NC3=CC=CC(C)=C3)=NP(NC3=CC=CC(C)=C3)(NC3=CC=CC(C)=C3)=NP(NC3=CC=CC(C)=C3)(NC3=CC=CC(C)=C3)=NP(NC3=CC(C)=CC=C3)(NC3=CC=CC(C)=C3)=N2)=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C[C-]2C(=NN(C3=CC=C(O)C=C3)[N+]2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N1CCC2=CC(OC)=C(OC)C=C2C1=CC1=CC=C(OC)C(OC)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(NCCC1=CC=CC=C1)C1=CC=C(C(C#N)NCCC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C[N+]23CC[N+]45CC(=O)O[Ni-4]24(O1)(OC(=O)C3)OC(=O)C5", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(NCCCNCCNC(=O)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C12)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1N=CN2C(=O)NC12CC3CC(CC(C3)C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CC2CN(CC3=CC=CC=C3)CCN2C2=CC=CN=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)OC1C", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NN=CC1=CC=CC=N1)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=CC1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN=C1SC(=NC2=CC=C(N(C)C)C=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=P(OC1=CC(Cl)=C(Cl)C=C1Cl)(N1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCN(C2=CC=CC(Cl)=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CN=C1N=S(=O)(C2=CC=CC=C2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CC1N=C(NC#N)N(CCC2=CNC3=CC=CC=C23)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC=C1CN2CCC34C5=CC(=O)C(C6=CC7=C(C=C6OC)N(C)C6=C(C(=O)OC)CC8(CC)CCCN9CCC67C98)=CC5=NC23CCC1C4C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2C3=C(OCC4=CC=CC=C4)C=CC=C3OC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=C(P(=O)(C2=CC=CC=C2)C2=CC=CC=C2)N(C)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=[N+]([O-])C1=CC=CC2=NC3=CC=CC=C3C(NCCCN3CCCCC3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1(C#N)NC(C2=CC=CC=C2)C(C#N)(C#N)NC1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN=C1SSC(=NC(=S)N(C)C)N1C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)N1C(=O)N2C3C4=C5C(=CC=CC5=CC=C4)C(C4C5=C6C(=CC=CC6=CC=C5)C3N3C(=O)N(C(C)(C)C)C(=O)N43)N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CNC(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=C2CC3(CCCC3)C3=CC=CC=C3C2=NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CN=C2S(=O)N1CC1=CC=CC=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(C=CC3=C2CCCC3)CC12CC1=CC=CC=C1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC(=N)C2=CC3=C(C=C12)SCCSCCCSCCS3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCC(NC2CCCCC2)CC1;COC1C(OC(=O)C=CC=CC=CC=CC(=O)O)CCC2(CO2)C1C1(C)OC1CC=C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N(C2OC(CO)C(O)C2O)C2=NC(C3=CC=C(C4=CC=CC=C4)C=C3)=CN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NC1(CC2=CC=CC=C2)C(=O)C2=CC=CC3=C2N(CCC3)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(NC(=O)CC(C(=O)N(C)C(C)C(=O)O)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=CC=C2)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(C(=O)O)C(C2=CC=C(OCC3=CC=CC=C3)C=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(NS(=O)(=O)C2=CC=CC=C2)=C(N(CC2=CC=CC=C2)CC2=CC=CC=C2)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CCOC3=O)CCC12O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC(=O)C=NN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C(O)C(O)C(O)CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC3=CC=CC=C3C=C2C2(C3=CC=C(Cl)C=C3)NCCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C3C(=C1)N=NN3C(=O)CCS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NCC1=CC=CC=C1C1=CC=CC=C1)NC1=CC=C(Br)C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C(O)(C2=C3OCOC3=CC(=O)C2=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(C4=COC=C4)C(O)C4OC43C12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCOC1=CC=C(C(=O)C(=O)C2=CC=C(OCCCCCCCCCCC)C(OCCCCCCCCCCC)=C2)C=C1OCCCCCCCCCCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=CC(C#CC2=CC=CC(C#CC3=CC=CC(N)=N3)=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CC(NCC2=CC=CC=C2)C(NCC2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2CC3N(C)CCC4(C2=C1O)C1C(=O)C=CC34C2=C(O)C=CC(O)=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C3CCC=CC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=CN=C3C=CC=NC3=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(CC2CCC3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CS1)N(C(=S)N1CCN(C2=CC=CC=C2)CC1)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NN=CC1=CC=CC=N1)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=CC1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1SC2=C(SCCS2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=CC=C1N1C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=CC(C(=O)NCCN(CCNC(=O)C2=C(O)C(=O)N(C)C=C2)CCNC(=O)C2=C(O)C(=O)N(C)C=C2)=C(O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCC1=C(O)C(O)=CC2=NC3=CC=C(SC4=CC=CC=C4)C=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CNC(=S)NC1CCCCC1)C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=C(N=CC3=CSC=C32)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1F)=[N+]1[N-]C(N)=[S+][Pt-2]12[S+]=C(N)[N-][N+]2=C(C)C1=CC=CC=C1F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCC(=O)OC1C2C(CC1(C)C)C(=O)C13OC1C(=O)C1(CO1)C23C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCN1C2=C(SC1=S)C(S)NC=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC#[N+][Rh+2]1234[O+]=C5OCC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1OCC(C(=O)OC)[NH+]12)([O+]=C1OCC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)OCC1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C(C(NC2=CC=CC3=CC=CN=C23)C2=CC=CC=C2)C=CC2=CC=CN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C2CC3C4=C(CCN3CC2CC1)C1=CC=CC=C1N4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(C2=CC=CC=C2)C2(O)C(=O)C3=CC=CC=C3C2(O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=C(CON=C(C2=CC=CC=C2)C2=CC=CC=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]12C(=O)CC3OCC=C4C[N+]5(C)CCC6(C7=CC=CC=C71)C2C3C4CC65O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)C1CCC(=O)N1C1(C2=CC=CC=C2)C2=CC=CC=C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=N)NOCC1=NC(C)=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(C1=CC=CC=C1)C1C(O)CC2OC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2N2C(=S)NN=C2N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCSSCCC(=O)NCCCN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C2=C(CCC(C)(C)O2)C2=C1OC(C)(C)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C2=C1N(CC1=CC=CC=C1)C(=O)N2CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C2=CC=C(Br)C=C2)=CC2=NC(S)=NC(N)=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2CC=C3CCS(=O)C3C2C(=O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=C(CCC2CCNC3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=NC(=O)C(C2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)N=CN2CCN1C=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]12CN3CN(C1)S(=O)(=O)N(C3)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OC1CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)CCC1=CC(=NNC(N)=O)CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=C1C=CC1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=S)SC1=CC1=CNC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(N)=NC(C2=CN=C3C=CC=CC3=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C(C2=C(C3=CC=CC=C3)C(C3=CC=C(Cl)C=C3)N3C(=NC4CCCCC43)N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=C(Cl)C=C1)C1=CN=C2N=C(C3=CC=CC=C3)C(C3=CC=CC=C3)=NN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C(=O)OC)N=C(C)OC1C=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)OC2CSSCC2OS(=O)(=O)C2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=NN(C)C=C2C(=O)N1N=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C2C(=C1)CSCC1=CC(C)=CC(C)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CCN2C(=O)C3=CC=CC=C3N(C)C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1(C)CCC2CC1C(C)=NC2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)C2C3=NC4=CC=CC=C4C=C3C3=NC4=CC=CC=C4N=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1CC=C2CCCCCC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1NC(C2=CC=CC=C2)=C(C#N)C(=O)CC1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(N(C)C)=CC=C1N=NC1=CC=C2N=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CN(CC(=O)O)CC1=CC(C#CC2=CC=C(C#CC3=CC=CC=C3)C=C2)=CC(CN(CC(=O)O)CC(=O)O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)N=C1C=CC=CC1=P21C2=CC=CC=C2NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C([OH+][Pt-2]1([OH+]C(=O)C2=CC=C(N=NC3=CC=CC([N+](=O)[O-])=C3)C=C2O)NC2CCCCC2N1)C1=CC=C(N=NC2=CC=CC([N+](=O)[O-])=C2)C=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(O)C=C2C(=O)OC3C(OC(CO)C(O)C3O)C2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=NO)SC(=S)N1N1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CC(NC(=O)C(COC1=CC=C([N+](=O)[O-])C=C1)CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2OCOC2=C(C)C2=C1C(=O)C1=CC3=C(C=C1C2=O)OCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C2NC(=O)C3=CC=CC=C3N2C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)C2=CC=C([N+](=O)[O-])O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[CH-][Tl-]1([CH-]C)[O+]=C(C2=CC=CC=C2)[CH-]C(C2=CC=CC=C2)=[O+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(NC2=CC=CC=C2)SC=C(C2=CC=CC=C2)N=C1NCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCC(CC2=CC=CC=C2)N1C(=O)C1NC(=S)OC1CC1=CC=C(OCC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2OC3CC(O)C(C)(C2(C)CC1=O)C31CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC(=S)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CN(C=C(C2=CC=C(Cl)C=C2)S(=O)(=O)CC2=CC=C(Cl)C=C2)C(=S)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CN=C1)[N+]1=[C-]C2=CC=C[O+]2[Co-2]12[N+](C(=O)C1=CC=CN=C1)=[C-]C1=CC=C[O+]12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1NC1=NC(=O)N(C5OC(COC(C)=O)C(OC(C)=O)C5OC(C)=O)C=C1)NC1=CC=CC=C14)C32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C(=C)P(=S)(C1=CC=CC=C1)C1=CC=CC=C1)P(=S)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(O)=C(C2=CC=CC=C2)S(=O)(=O)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCCCCCCCCC1SC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C([PH](CC2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC(C(=O)OCCN1CCCC12CCCCC2)C1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Zn-2]1(O)[O+]=C(N)[N-][N+]1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1=CC=C(C2=C3C=CC4=[N+]3[Zn-2]35[N+]6=C(C=CC6=C(C6=CC=[N+](C)C=C6)C6=CC=C2[NH+]63)C(C2=CC=[N+](C)C=C2)=C2C=CC(=C4C3=CC=[N+](C)C=C3)[NH+]25)C=C1;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C(C=NNC2=NC=NC3=C2N=CN3)[N+](C2=CC=CC=C2)=NO1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN=C2C=C(OCC3CC3)C(OCC3CC3)=CC2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NC1=CC=CC=C1)N(N=CC=CC1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(=O)C23CC1CC(O)C2C1(CCCC(C)(COC(C)=O)C1C=O)COC3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCCCC2=C(CCC1)N=C1C3=C(N=C4CCCCCCCCC4=N3)C3=NC4=C(CCCCCCCC4)N=C3C1=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(OCCCOC2(C)C(=O)N3C2N(C(=O)OCC2=CC=CC=C2)CC3(C)C)C(=O)N2C1N(C(=O)OCC1=CC=CC=C1)CC2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(OC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC(Cl)=C(O)C(N=NC2=CC(S(=O)(=O)O)=C3C=CC=C4NN=NC2=C43)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1=C2SC=CN2C=C1C1=CC=C(C=NNC(=N)NN=CC2=CC=C(C3=CN4C=CSC4=[N+]3C)C=C2)C=C1;Cl;[Cl-]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)OC1=CC=C(C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(SC)SC2(C(=O)OC)C3C=C(C)C4C(N13)C42C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC3=C2N(CCC3)C2=C1CCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2CC3C(CC12)C1(Cl)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=C(CCN(CCCCN3CCC4=C(C3=O)N(C)C3=CC=CC=C43)C2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;CN(C)C1=NC(=NC2=CC=C3OCOC3=C2)SS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2OCC3OC(OCC4=CC=CC=C4)C(O)C(O)C3O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2C2=C3C(=O)C4=CC=CC=C4C(=O)C3=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(OC2CC3C4C=CC3C2C4)C([N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC(OC3CCCCO3)C(CO)O2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC=C(NN(C2=C(O)C=CC3=CC=CC=C23)S(=O)(=O)O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N(C2CC(O)C(CO)O2)C2=NC3=CC=C4C=C5C=CC=CC5=CC4=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(C2=NCCN2)C=C1)NC1=CC=CC(C(=O)NC2=CC=C(C3=NCCN3)C=C2)=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])CC1=NN2C=NN=C2N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)NNC(=O)C[N+]2=CC=CC=C2)SC(C2=NC(C)=C(C(=O)NNC(=O)C[N+]3=CC=CC=C3)S2)=N1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(NC2=CC=CC=C2)OC(=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CC=C(O)C(O)=C1)C(=O)NCC1=CC=CC(CNC(=O)C(C#N)=CC2=CC=C(O)C(O)=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C=CC(C3=CC4=CC=CC=C4S3)=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1OC2C3=CC=CC=C3COC2C1OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCOC3=CC=CC=C3)O2)C(=O)NC1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)C(=CNC(=S)NCC2=CC=CC=C2)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)SC(C(C(=O)OC)=C2SC3=C(CCCC3)S2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CN1C(=O)C2(C(=O)OC)OC1(C1=CC=C([N+](=O)[O-])C=C1)C1C(=O)N(C3=CC=CC=C3)C(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)OP(=O)(OC(C)C)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C(=N)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC2=CCC3C(C)(COC(=O)COC4=CC=CC=C4)CCCC3(C)C2CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCC2=C1C=C1C=C3OCOC3=CC1=C2C1=CC=C2OCOC2=C1;O=C1OCC2=CC3=CC4=C(C=C3C(C3=CC=C5OCOC5=C3)=C12)OCO4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C(SCC(=O)NN=C2SCC(=O)N2C2=CC=C(C)C=C2)=NC2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(N2CCNCC2)N=C2C=CC=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN(C2=NN=C(O)C3=C2N=NN3C2CCCCC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2CC(OC)(C#CC=CC#CC2O)CC1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1CCC2C1(C)CC1OC13C21C=CC2(CC(O)CCC23C)C2C(=O)OC(=O)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=NC2=C(C)C(O)=C(OC3=C(C)C(O)=C(O)C(C(C)CCC=C(C)C)=C3O)C(C(C)CCC=C(C)C)=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NNC(=O)C2=CC(C(=O)NNS(=O)(=O)C3=CC=C(C)C=C3)=C(C)N=C2C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(=O)C2C1CS2(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C2=CC=CC=C2C2=NC3=CC=CC=CC3=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CCN(C2=CC=CC=C2CC(C2=CNC3=CC=CC=C23)C2=CNC3=CC=CC=C23)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CS1)N(C(=O)N1CCCCC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2=NNC(=O)N2NC(=O)C2=CC=CC=C2C(=O)O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)OC(C=CC2=CC=CN=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C3=C(NC2=C1)C1CCN2CCCC2N1CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(Cl)=C(Cl)C(=O)N1C1C2CC3CC(C2)CC1C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=CC(C3=CC=CS3)=C(C3=CC=CS3)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2CC(=O)N3CCCC3N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCC[N+]1=CC=CC(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1C(C2=CC=CC=C2)C2=C(C3=CC=CC=C3)SC(C3=CC=CC=C3)=C2C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NNC(=O)C1C1CC(C2=CNC3=CC=CC=C23)=NN2C(C3=CC=CC=C3)=NN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CSC(C(N=NC2=CC=CC=C2)=C2NC3=CC=CC=C3N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2CN3CCC4=C(NC5=CC=CC=C45)C3CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=CC=C1C1=NN=C2SCC(C3=CC=C(C4=CC=CC=C4)C=C3)=NN21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCC12CCOC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C12OC(C)(C(CC(=O)OC(C)(C)C)C1=O)C1C(=O)N(C3=CC=CC=C3)C(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C(NC(=O)C2=CC(NC(=O)CCCCCC(=O)NC3=CN(C)C(C(=O)NC4=CN(C)C(C(=O)NCCC(=N)N)=C4)=C3)=CN2C)C=C1C(=O)NCCC(=N)N;Cl", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(NC(=O)NC23CC4CC(CC(C4)C2)C3)=NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC2=NC(=O)C(=O)N2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C3=NN=C(SCCCSC4=NN=C(SCCCS3)C3=CC=CC=C43)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NO[N+]([O-])=C1NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC[Sn](CCCC)(CCCC)C(=C[Si](C)(C)C1=CC=CC=C1)C1=CC=C2OCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC[N+]2(C)CCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C1=NC2=CC=CC=C2N=C1Cl)S(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CC1=CC=CC=C1COC(=O)C1=C(C(=O)OCC2=CC=CC=C2C=O)C=C(C(=O)OCC2=CC=CC=C2C=O)C(C(=O)OCC2=CC=CC=C2C=O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2NC3=C(C2=C1)C1CCC(C(C)(C)C)CC1C1C(=O)N(C2=CC=C4OCOC4=C2)C(=O)C31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)C3=CN=C4C=CC=CC4=N3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)C1=CN=C3C=CC=CC3=N1)C(=O)NC(C)C(=O)N2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C2C=CC=CN2C2=C1SC(C)(C(=O)OCC)C2=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2CC3OC3CC2C(=O)N1CCN1C(=O)C2CC3OC3CC2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=CC1=CC=C(C2=CC=C(C3=CC=C(C=O)S3)O2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(N(C)C1=O)N1C3=C(SC1=N2)C(=O)C1=CC=CC=C1C3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)CN1CCC(C(O)C2=CC3=CC=CC=C3N2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C=NN(C)C)OC2=C1C=C(O)C1=NC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC12C(=O)NC(=O)C1(C#N)C2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=NOCC(=O)O)CC(C2=CC=C(C(C)C)C=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(O)=C2C(=O)OC(C)CC=CC(=O)C3OC3CC(O)C(O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC([N+](=O)[O-])=C1SC1=NC=CN1C1=CC=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(N=C(NCC[N+](C)(C)CC3=CC=C(Cl)C=C3)N2C)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1(C)N=C(C2=CC=CC=C2)C=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C2C(O)=C(N=NC3=CC=C(N=NC4=CC=C(S(=O)(=O)O)C=C4)C=C3)C(S(=O)(=O)O)=CC2=C1N=NC1=CC=C(N=NC2=CC=C(S(=O)(=O)O)C=C2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;N=C(N)C1=CC=C(C(NC(=O)CNS(=O)(=O)C2=CC=C3C=CC=CC3=C2)P(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)[OH+][Zn-2]12[N+](=CC3=CC=CC=[N+]31)[N-]C1=CC=C3C=CC=CC3=[N+]12;CC(O)=[OH+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N2CN(C3=CC=C(C)C=C3)CC(C)(N)C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C2=CC(=O)N(C3=CC=CC=C3)C2=O)C2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2CC12CC1=CC=C3CCCCC3=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C(C2NC(=O)C3=CC=CC=C3N2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC(C1=NC=CN1CC1=CC=CC=C1)C1OC(C)(C)OC1C1COC(C)(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)C2CCCCC2(N2CCOCC2)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NN=C1CCC2=CC=CC=C2C1)NN=C1CCC2=CC=CC=C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C=C1C(=O)C(CC(C)C)=C1CC(C)C", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCC2(CC1)C(=O)N(CC1=CC=CC=C1)C(=O)C2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N(C)C(N2CCCC2)C2=C1N=C1C=CC=CN1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC(F)(F)C1=NC2=C(C=CC3=C2C2=CC=NC(C4=CC=CC=C4)=C2N3)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=NN=CN2C2=NN=NN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C(=NN(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1(C2=CC=C3C=CC=CC3=C2)OC2=CC=CC=C2N2C=CC=C2C1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(CC#N)C1=CC(CC(C)(C)C2=CC(CC(C)(C)C3=CC(C(C)(C)C4(C)OCCO4)=NO3)=NO2)=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=CC1=CN=C2C(=C1)OC(=O)N2CCC1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;C(=NNC1=NCCN1)C1=CC=CC2=CC3=CC=NC=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C2CCCN2C(C(=O)NC2=CC=CC=C2)=C1N=CC=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(N2CCCC2)N=C(O)C(C(C2=CC=CO2)C2=C(O)N=C(N3CCCC3)C(C(=O)OCC)=C2O)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C(=C(NCC1=CC=CC=C1)NCC1=CC=CC=C1)C(Cl)=C(Cl)Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C(C(=O)C(=O)NC1=CC(Cl)=C(Cl)C=C1Cl)C1=CSC(=N)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCC=C1C2=CC=CC=C2CN(C)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)[N+]1=CC2=C3C=CC=CN3C(N(C)C)=[N+]2C2=CC=CC=C21;[O-][Cl+3]([O-])([O-])[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC2=C(NC=C3C2=NN(C2=CC=CC=C2)C3=O)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CNCCCNCCCCNCCCNCC2=CC=CC=C2)C=C1;O=C(O)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C12C3C4C1C1CC4C4([N+](=O)[O-])C3CC2C14[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(N)N=NC(C2=CC=CC=C2)=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CC2C1C1(C3=CC=CC=C3)OC2(C2=CC=CC=C2)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2(CC1)CC(=O)N(N1CCOCC1)C(=O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC(=NS(=O)(=O)C1=CC=C(Cl)C=C1)NCCCCNC(=NS(=O)(=O)C1=CC=C(Cl)C=C1)SC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=CC=C2C(=O)OC(=O)C3=C2C1=C([N+](=O)[O-])C=C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C2=C(Cl)C=CC(O)=C2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=S)NC1C(CC1=CC=CC=C1)C1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CSC1=NC2=C(C(C(N)=O)=C(SC)N2)C(=O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=NC2=C(N=CN2)C(=[S+][Fe-2]([S+]=C2NC=NC3=C2N=CN3)([S+]=C2NC=NC3=C2N=CN3)[S+]=C2NC=NC3=C2N=CN3)N1;[ClH2+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)[O-])C=C1;C[N+]1=C2C(C#N)=C(NCCCN3CCOCC3)C3=CC=CC=C3N2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=COC2OC3C(=CC4=CC=C(O)C(OC)=C4)C(=O)OC34C=CC1C24", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CN(S(=O)(=O)C2=CC=CC3=CN=CC=C23)CCN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]1C2C3CCC(C3)C2[N+](=O)[Co]12345C1=C2C3C4=C15", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(=O)OC2C1CC1OC2C(C)CCCC2(C)OC2CCC1(C)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=C(C(C)C)C=C1NC(=O)NC1=CC=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CS1)N(C(=S)N1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC2=NC=NC2=C1N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC(O)C1OC2CC1NC1=CC=CC=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=C2OCOC2=C1)N1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2C(C=CC23CCCC3)N1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=[N+]2C3=CC=CC=C3[SH+][Zn-4]234([O+]=C1C1=CC=CO1)[O+]=C(C1=CC=CO1)C=[N+]3C1=CC=CC=C1[SH+]4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2SC(=S)N(C3=CC=C(Cl)C=C3)N2C2=CC=C(Cl)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(Cl)C=C1)C(=O)C1=C(O)C2=CC=CC=C2OC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(CC2=CC=CC=C2)N(C(C)OCCN2C(=O)C=CC2=O)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NNC3=C4C=CC=C(C(=O)NC5=CC=C(S(=O)(=O)NC6=NC=CC=N6)C=C5)C4=NC4=CC=CC=C34)C=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(O)=C2N=C(COP(=O)(O)OP(=O)(O)O)CNC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C(C(N)=O)C2CC(O)C(NC(=O)CS(N)(=O)=O)(C(=O)O)C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C2=CC=CS2)=CC(C2=CC=CS2)=C1C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CN1C=C(C2=CC=CC=C2)N=N1)NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(NC(C(C2=CC=CC=C2)S(=O)C2=CC=C(C)C=C2)C(F)(F)F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(CC2C(=O)OCC2C(=O)C2=CC=C3OCOC3=C2)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=C1NC2=CC=CC=C2C(=O)N1C1=CC=C(Cl)C=C1)C1=CC=NC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1ON(C)C2CN(C)C(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C(=O)C=C2SSC(=CC(=O)C3=CC=C(C)C=C3)S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C1=CC=[N+](C2=C([N-]S(=O)(=O)C3=CC=CC=C3)C(=O)C3=CC=CC=C3C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1C=C(C2=CC=CC=C2)SC2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)NC2=CN=CN=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCCCCNC(=O)N1C=C(F)C(=O)NC1=O)NC1C(O)OC(CO)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=NN=C(SSC2=NN=C(NC(C)=O)S2)S1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2C(=O)C1=CNC(=S)NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1OC2CCC1CC(OC(C1=CC=CC=C1)C1=CC=CC=C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(N2C(=O)C=C(NC(CC(C)C)C3=NC4=CC=CC=C4N3)C2C2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C1=CC=C(OC)C(OC)=C1)C1=NC=CC2=CC(OC)=C(OC)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C2C=CC=CC2=C1C1=NC(F)=NC(OCC(=O)C2CCC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)N1CCCCC1C1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1COC2(C3=CC=CC=C3)C3CC3C(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CNC(=S)NN=C1C(=O)NC2=CC=CC=C12)C(=O)C1=CC=C2C=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C(SSC(C(=O)O)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC([N+](=O)[O-])=CC=C2NC1(C1=CNC2=CC=CC=C12)C1=CNC2=CC=C(Br)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(NCCCCN1CC2CCCC2C1)C(C1CCCCC1)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C1=CC=CC=C1)C1ON(C)CCC2=CC(OC)=C(OC)C=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=CC=CC=C2C(=O)N1N=CC1=CC=C(N(C)C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(C1=CC=CC=N1)N(C)C2C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(N2CCCC2)C=C(N2CCCC2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C=CC1=CC=C(OC2=CC=CC=C2C(=O)O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC(=CC1=CC=C2OCOC2=C1)C1=NC2=CC=CC=C2N1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=NN(C2=CC=C(NC(=S)NC3=NC=CC=N3)C=C2)C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C(=NNC1=CC=CC=C1)C(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC1=CNC=N1)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(N)=O)NC(=O)C(C)N)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C2N=C3C(=C(C4=CC=CC=C4)C2=C1)C(C1=CC=CC=C1)=NN3C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(N(C)C1=O)N1C(=O)C3=CC=CC=C3N=C1N2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(Cl)C2C3=CC4=CC=CC=C4N=C3OC3=CC=CC=C3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C2C3CCC(C3)C2C(O)C2C3CCC(C3)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=C(CCCCC2=NO)C12CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC(=O)C1=CC=CC=C1)CC(O)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=NC=CC=C2C(=O)N1OS(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC=C([N+](=O)[O-])N1CC(O)CN1C=NC([N+](=O)[O-])=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC3C(CON3C)O2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCNCC1=CC=C(C2=CC=CC(C3=CC=C(CNCCN(C)C)C=C3)=N2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(NC1=CC=CC=C1)C1=CC=C(C2=C3C=CC(=N3)C(C3=CC=C(S(=O)(=O)NC4=CC=CC=C4)C=C3)=C3C=CC(=C(C4=CC=C(S(=O)(=O)NC5=CC=CC=C5)C=C4)C4=NC(=C(C5=CC=C(S(=O)(=O)NC6=CC=CC=C6)C=C5)C5=CC=C2N5)C=C4)N3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C(NC(=O)C2CCCN2CC(O)C(CC2=CC=CC=C2)NC(=O)C(CC(N)=O)NC(=O)OCC2=CC=CC=C2)C(C)CC)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CC1CC(C)C2=C(O)C=C(C)C3=C2C1=C(C)C(=O)C3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(OC)C2=C1C1=NN=NN1CCC2(C)C", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CC(=NO)C(=O)NCCC2=CC(Br)=C(OCCCN(C)C)C(Br)=C2)C=C1Br", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCP(=O)(C5=CC=CC=C5)C5=CC=CC=C5)CCC4(C)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CN(CC2=CC=CC=C2)C2CCCCCC(C#N)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N=C(N2CCOCC2)N(CCN2CCOCC2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)C(C)C)C(C)O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC2=NSN=C2C(Cl)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=CC=CC=CC=C2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C2=CC=CC=C21", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NS(=O)(O)=NC(C)=C1CC1=C(C)N=S(=O)(O)N=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(NC2=NC(O)=C3N=CN(COCCOP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)C3=N2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1SC2=CC=CC=C2N1CC1CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=CC2=CC=CO2)SC2=NC3=CC=CC=C3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(C2=NC(C)(C)CO2)C2=CC=CC=C2C(CC=C[Si](C)(C)C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CC1=CC=C(N2N=C(C3=CC=CC=C3)CC2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;NCCCN1CCN(CCCNC2=CC=C3N=NN4C5=CC=CC=C5C(=O)C2=C34)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=[N+](CC2=CC=CC=C2)[Co-2]2([OH+]C3=CC=CC=C13)[OH+]C1=CC=CC=C1C=[N+]2CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2=C(C(=O)O1)C(=O)C(O)=CC=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCC2C(O)CCCCCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1(C)CC=C(N2CCOCC2)CC1;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C2N=NC(=C1)SCCCSC1=CC=C(N=N1)SCCCSC1=NN=C(C=C1)SCCCS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C12C=CC=CC3=C(C4=CC=CC=C4)C(C4=CC=CC=C4)=C(C4=CC=CC=C4)C31C1=CC=CC=C1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=CC1=CC=CC=C1)C=C1NC(=S)N(CN2CCCCCC2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)SC(=NC(=S)N2CCCCC2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NNC(=S)S1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2SCC(=O)N2NC(=O)C2=CC=NC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[PH](C)(C)[Ir+3]123([PH](C)(C)C)([PH](C)(C)C)C4=C1CCC2=C3CC4;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(CN3CCCCC3CO)=CC3=CC(OC)=C(OC)C=C3C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(Cl)=CC(NCCCCCCNC2=CC(Cl)=NC(N)=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CSC2(SCC3=CC=CC=C3)CCCCC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC1=C(C)C(=O)C(C)=C(C(C)(C)CC(=O)N2C=C(F)C(=O)NC2=O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Ni-3]13([S+]=C(NC4=CC=CC=C4)[N-][N+]1=C2)[N+]1=CC=CC=C1C1=CC=CC=[N+]13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CS(=O)(=O)OCCCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(CC1=CC=CC=C1)OOCCCCOS(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC2=CC=C1C=CC1=CC=C(C=C1S(=O)(=O)O)N=NC1=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)O)N=N2)C(S(=O)(=O)O)=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C(C2=NC(C3=CC4=CC=CC=C4OC3=O)=CS2)C(C2=CC=CO2)C2=C(O1)C1=CC=CC=C1OC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(C2NC3=CC=CC=C3C(=O)N2N2CCOCC2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(S(=O)(=O)C2=CC=CC=C2)C(C2=CC=C(Cl)C=C2)=C(C(=O)NC2CCCCC2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NC1(C2=CC=CC=C2)C(=O)C2=CC=CC3=C2N(CCC3)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(N=NC2=CC=C(C=CC3=CC=NC4=CC=CC=C34)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)OC1=CC2=C(SC=C2)C2=C1C1=CC=CC=C1N2C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)C1CCCC1=NNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N1C=C(C(C)(C)C)N=C1SSC1=NC(C(C)(C)C)=CN1C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CCCCCCCC1=CC=C(C(=O)OCC2OC3OC4C(COC(=O)C5=CC=C(CCCCCCCC(=O)O)C=C5)OC(OC5C(COC(=O)C6=CC=C(CCCCCCCC(=O)O)C=C6)OC(OC6C(COC(=O)C7=CC=C(CCCCCCCC(=O)O)C=C7)OC(OC7C(COC(=O)C8=CC=C(CCCCCCCC(=O)O)C=C8)OC(OC8C(COC(=O)C9=CC=C(CCCCCCCC(=O)O)C=C9)OC(OC2C(OS(=O)(=O)O)C3OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCO;COC1=CC=CC(C(O)C(CN2CCCCC2)CN2CCCCC2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(N=NC2=CC=C(S(=O)(=O)O)C=C2)C=C1)C1=CC=C(N=NC2=C(S(=O)(=O)O)C=C(O)C3=C(NC(=O)C4=CC=CC=C4)C=C(S(=O)(=O)O)C=C23)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1SCC(=O)N1CCN1C(=N)SCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(C)C=NCC(C)(C)NC(=O)C(C)(OC)C=NCC(C)(C)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=CC=CC=C1)NC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C12CC3CC(CC(NC(=O)C(CC4=CC=CC=C4)NC(=O)CN)(C3)C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1NC(=O)C(CC(C(=O)NC1=CC=CC=C1OC)C(C)=NNC(=O)C1=CC=CC=C1O)C(C)=NNC(=O)C1=CC=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=O)C1=CC=CC=C1S(N)(=O)=O)C(CN1CCCCC1)C(C1=C(O)C2C=CC=CC2OC1=O)C1=CC=CC=C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N1=NC2=C(N1)C1=C(NN=N1)C1=C2NN=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC#CC(O)(C(=O)OC1CC2CCC(C1)N2C)C1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=NC(=P(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C2=CC=CC=C2)S(=O)C2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2CCSCN2C(=O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CN(C=C(C2=CC=CC=C2)S(=O)CC2=CC=CC=C2)C(=S)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=NC(C#N)=C(NC(=O)C2=CC=CC=C2C(=O)O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(=O)NCC1(C2=CNC3=CC=CC=C23)SCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NC1=CCCCCC(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=O)C(Br)(C2=CC=CC=C2)C(=O)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=C(S(=O)(=O)C3=CC=C(NC(=O)C4=CC=CC=C4SSC4=CC=CC=C4C(=O)NC4=CC=C(S(=O)(=O)C5=CC=C(NS(=O)(=O)C6=CC=C(NC(C)=O)C=C6)C=C5)C=C4)C=C3)C=C2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=NC=CC=C1SSC1=CC=CN=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCCCCCCCC(=O)NC2=CC=CC=C2C2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(C=CN1CCCC1)=CC1=NC(N2CCCC2)=C2C=CC=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1)N1OC12CCC1(C)C(CCCC13OCCO3)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(Br)CC2OC3(Br)C=CC(C)(O)C2(CC1=O)C3(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=S)C3=CC(OC)=CC=C3C(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCCNC(=O)OCC1=CC=CC=C1)OCC1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC#[N+][Rh+2]1234[O+]=C5CCC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1CCC(C(=O)OC)[NH+]12)([O+]=C1CCC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)CCC1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN=C2C(=O)C3=CC=CC=C3C(=O)C2=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=CC=CC=C1)NN=C(C1=NC2=CC=C([N+](=O)[O-])C=C2N=C1O)C(O)C1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2C3=C3OC(C4=CC=C(O)C=C4)=C4C=C(C5CC(OC6CCC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(O)C(C)O5)C(=O)C(=C43)C2O)CCC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=O)CSCC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCCN2C(=O)CN(CC3=CC=CC=C3)CC(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CC1=C(C2=NC3=CC=CC=C3C2(O)CC(=O)OC)NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=NC1=C(C2=CC=CC=C2)NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1C2=CC=CC=C2C=CC1(CCC1(C)OCCO1)C1=NC(COC)C(C2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)OC2OC(C)(C3=CC=C(S(=O)(=O)C4=CC=CC=C4)C=C3)C(=O)CC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1SSC(Cl)=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC=CC1C2C(=O)C3(Cl)C(C=CC)C3C(=O)C12Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(OC2(C3=CC(OC)=CC=C3OC)OC(=O)C3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(N=CC1=CC=CC=N1)C1=NCCCN1;I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CSC(SCC2=CC=CC=C2)C2=CC=C3OCOC3=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCCNOC(=O)CCC(NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C32)C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C(=O)C(=CNC2=CC=CC=C2)SC1=NNC1=NC=C(CC(=O)NC2=CC=CC=C2C)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C2CCC(NC(=O)C(F)(F)F)C(=O)C3=C2C(=CC=C3)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCSC(=NC1=CC=CC=C1)N1C=COC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(OCC2=CC=CC=C2)C2=C(C=CC3=C2OCO3)C2C=CC3=CC4=C(C=C3C21)OCO4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C=C1NC(=O)N1CCN(CC1)C(=O)NC1=CC(=CC=C1C)NC(=O)N1CCN(CC1)C(=O)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=C1N=C(C2=CC([N+](=O)[O-])=CC=C2Cl)N(C2=CC=C(Cl)CC2)C1=O)C1=CC2=CC=CC=C2OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C(=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)C1=CC2=C(C=C1Br)OCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)P1(=S)NCC(C(C)(C)C)CO1;CN(C)P1(=S)NCC(C(C)(C)C)CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(NC(=O)C1=CC=CC=C1)C1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=NN(C2=CC=CC=C2)C(=O)C1=CNC(=S)NCCC1=CC=C(OC)C(OC)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)CC1=CC=C2C=CC=CC2=C1)CC1=CC=C2C=CC=CC2=C1)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)O)N2C(=S)NN=C2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(=O)NC2CC1C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCC=CC=CC(=O)NCC(=O)NC1C(O)C(O)C(NC2=NC=NC3=C2NC=N3)OC1C(O)CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=S)NN=C1CCCCC1=NNC(N)=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)N(N=CC2=CC=CO2)C(C2=CC=CO2)C1(C#N)C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(OC)C2=CC(C3(C)SCCCS3)=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=NN2C=C3CCCCC3=NC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=C3C=CC=CC3=C3C=CC=CC3=C2C2=C1C1=C3C=CC=CC3=C3C=CC=CC3=C1O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(NCCS2)C([N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2SC(C)C(=O)N2C2=NC(C3=NC(C4=CC=C(Cl)C=C4)=CS3)=CS2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC=CC=C2N1CC1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1)N1CCN(C(=O)NC2=CC=CC=C2)C1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)C1=C(CCCC1)N2CCOCCN1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CN2SN1CC2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCN1N=C2C(C3OCCO3)=CC3=CC=CC=C3N2C1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1OC(CO)CC12C1CC3CC(C1)CC2C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=C2C(=C1)CCC1C2CC2OC23CC=CC(=O)C13C)C1CC2(C)OC2(C)C(O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(C1=CC=CC(NC(=S)NC2=CC=CC=C2N(CC)C2=CC(C3=CC=CC=C3)=NO2)=C1)C1=CC(C2=CC=CC=C2)=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C2SC3=CC(F)=CC=C3CC(N3CCN(CCO)CC3)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCCNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC=CC=C4C(=O)O)=CN3C)=CN2C)=CN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=O)C1=CC=CC=C1O)C1=CNC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(C=CS2)C2=C3C1=CC=CC3=CC=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)NNC(=O)C(=CC1=CC=C(OC2=CC=C(Cl)C(Cl)=C2)C=C1)NC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCNC2=CC=C([N+](=O)[O-])C3=C2C(=O)C2=CC=CC=C2N3)C(N)=O)C(O)C(CO)OC1(C)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(C2=CC=CS2)OC(=O)C2=C([N+](=O)[O-])C=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NC(C2=CC=CC=C2)NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CN(C2=CC=CC=C2)C2(CCN(CCC3=CC4=CC=CC=C4O3)CC2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(C2=CC=CC=C2)C(=O)N2C3C4=CC=CC=C4CC3N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1C(C)C=CN1C1=NC(N)=NC(NS(=O)(=O)C2=CC(C)=C(Cl)C=C2S)=N1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=C(C#N)C(=O)N(C2=CC=C(C)C=C2)C(=S)C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CC2=CC(Br)=CC=C2C12CCC1=C(O)C=CC3=CC(Br)=CC2=C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)[O-])C=C1;COC1=CC=C(NC2=C(C#N)C3=[N+](C)C4=CC=CC=C4N3C3=CC=CC=C23)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1CSCC(C(=O)OC)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1C[N+]2(CCC3=CC=CC=C3)CCC1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C=C(CCOC1CCCCO1)[Si](C)(C)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=C(C)N(C2=C(C)C=CC=C2C)C(=N)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CCCCCCCCCCC12SCCCS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1[OH+][Co-4]23(NCCN2)(NCCN3)[OH+]1;[O-]C(O)=[OH+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCCC2=C(N1)C(C(=O)O)=CS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)N(C2=CC=C(Cl)C=C2)C2=NC(=O)N(C)C(=O)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=C(NC=C(C#N)C2=CSC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=NNC(=S)N1N=CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(CC3=CC=CC=C32)C(N2CCN(C)CC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=CC2=C1N=[S+]N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Cu-3]1([O+]=C2)[O+]=CC2=CC=CC(OC)=C2[OH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C12C3C=CC(C3)C1C(=O)C1OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C(=O)N1CC2=CC(Cl)=CC(Cl)=C2OC(=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(NNC(=O)C1=CC=CC=C1O)C1=C(O)C=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C=C(C(=O)O)C2=CSC(C3=NC(C(=CC4=CC=C(N(C)C)C=C4)C(=O)O)=CS3)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NCC2(CCNCC2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1NC=C2C1OC(CO)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2(CCCCC2)C2CCCCC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NNC(=O)C2C3C4=CC=CC=C4C(C4=CC=CC=C43)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(C=CC2=CC=C(NC(=O)C3=CC=C(N=NC4=CC(S(=O)(=O)O)=C5C=CC=NC5=C4O)C=C3)C=C2S(=O)(=O)O)C(S(=O)(=O)O)=C1)C1=CC=C(N=NC2=CC(S(=O)(=O)O)=C3C=CC=NC3=C2O)C=C1;[NaH]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1O)CN1CC3=C(C=CC(OC)=C3O)C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(C)(C)C(OP1(=S)N(C)CCN1C)=C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(C(=O)N1CC1=CC=CC=C1)C1=C(C3=C2C2=CC=CC=C2N3)N(CC2CO2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(N)SSC1=C(N=NC1=CC=C([N+](=O)[O-])C=C1)[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(O)C2=NC=CN2C)C(OC)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C2=CC=CC=C2C(O)C2=C1C=CC1=C2CN(CC2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C[N+]([Pt-2]23[N+]4=CC=CC=C4C4=CC=CC(=[N+]42)C2=CC=CC=[N+]23)=C1;[O-][Cl+3]([O-])([O-])[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1SCCC1(C)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=NNC1=NN=C(C2=NN=C(NN=CC3=CC=CC=C3)O2)O1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C(NO)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)C2=CC=CC=C2N2C(C3=CC=CC=C3)=NOC2(C2=CC=CC=C2)CC1C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC1=CC(=O)C2=C(C1=O)C1CCC3(C)C(=O)CCC3C1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(C2=CC=C3OCOC3=C2)C2=CC3=C(C=C2OC1N1CCCCC1)OCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CN2C(=S)SC(C3=CC=C(Cl)C=C3)N2C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(C2=NCCCN2)C=C1)C1=CC=C(NC(=O)C2=CC=C(C3=NCCCN3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC(NC(=O)C(=O)C2CCC3=C(SC4=CC=CC=C4N3)C2=O)=N1)C(=O)C1CCC2=C(SC3=CC=CC=C3N2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NC1CCCCC1)SSSSC(=S)NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1=CC=[N+](CC2=CC=C(C[N+]3=CC=C(C=C)C=C3)C=C2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(NC(=O)CSC(=S)N2CCN(CC3=CC=CC=C3)CC2)C(=O)N(C2=CC=CC=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CN=CC(C2(C3=CC4=CC=CC=C4N3)COCO2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NNC1=NN=C(CCCCCCCCC2=NN=C(NN)N2N)N1N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC=C1C(C#N)C(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C(=O)NC1=CC=CC(Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(O)C=CC2(CCCC2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CCCOC2=CC(=CC=C2)OCCCC(C)(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12OC3(C)C4=CC=CC=C4OP3(C3=CC=CC=C3)(OC3=CC=CC=C31)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C(CN2C(=O)C(=CC3=CC=CC(O)=C3)SC2=S)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC2=C(OC)C=CC(OC)=C2CC(C(=O)OC)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C=COC1O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1SC2=CC=CC=C2N1CCSSCCN1C(=O)SC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C(CC1=CC(Br)=C(OC)C(OC)=C1)=[N+](C)CC2;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC2=CC=CC=C2SC(C2=CC=CC=C2)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(OC(=O)CC(=O)C1=CC=CC=C1)C(=O)CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1N[N+](CC(=O)C2=CC=CC=C2)=C2SC(C3=CC=CC=C3)=NN12;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)NCCC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CN(C2CCCCC2)C2(C3=CC=CC=C3)C3=CC=CC=C3C(=O)OC(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=NC2=C(C)N(C)N(C3=CC=CC=C3)C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=NNC(C2=CC=C(OC)C=C2)=C1C1=CC=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(N=NC2=CC=C3C(=O)C4=CC=CC=C4C(=O)C3=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCCC1=NC1=[N+](C2=CC=CC=C2)C(C2=CC=C(Br)C=C2)=CS1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCCC12OC(C3=CC=CC=C31)C(O)C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)SC(CN)NC1C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2(O)NC(=S)N(C3=CC=CC=C3)C12O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(C=NOCCCCON=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)=COC2=C(Cl)C=C(Cl)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC2=C(O1)SC1=CC=CC=C1NC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3=NCCCN3C1=CCC1C2CCC2(C)C1CCC2(C)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=CC=C(C2=C(C3=CC=C4OCOC4=C3)C=C(C3=CC=CC=C3)O2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)C(=O)C(O)C3(C)CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CO)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NNC2(C(=N)N1)C1=CC=CC=C1C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=C2SC3=CC=CC=C3N=C2C2=CC=CC=C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2=C(C=C(OC(=O)C3=CC=CC(S(=O)(=O)F)=C3)N=C2OC(=O)C2=CC=CC(S(=O)(=O)F)=C2)C(=O)N1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(N=C3OCC(CCl)N32)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC2=C(C(O)=[NH+]1)[N+](CCO)=CN2C1OC(CO)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(Cl)(Cl)C1(C)C=CC1C(C)(C)C1(Cl)Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=C(CC2=CC=CC=C2)CC2=CC=C3CCCC3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCNCCCCNCCCNC(=O)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C12)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2=C(O)C3=C(OCN(C(C)C4CCCCC4)C3)C(=C2)C(C)C2=C(O)C3=C(OCN(C(C)C4CCCCC4)C3)C(=C2)C(C)C2=C(O)C3=C(OCN(C(C)C4CCCCC4)C3)C(=C2)C(C)C2=C(O)C3=C(OCN(C(C)C4CCCCC4)C3)C1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=C(C)NC2C=CC=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CC2=CC=CC3=C4C=C5C=CC=CC5=C(O)C4=NC1=C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C=C(CN1C(=O)C2=CC=CC=C2C1=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=C(C#CCC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=CC(C#CCC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1Br", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CCOC1=CC=C(C(C#N)=CC2=CC=C(OCCN3CCCCC3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(CC[PH](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CN=C2N=CN1CCN1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC=CC=C1C1=NC2=C(S1)C(=O)C1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C(=CC=C2C3=CC=CC=C3C(=O)C3=CC=CC=C23)C2=CC=C(N(C)C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CCC1=CCC2(SC)C(=O)NC3=C2C1=CC=C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1C2CCCCC23C(Cl)(Cl)C32CC1(C(=O)OCC)CCC(=O)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C(NC(=O)C2=CC(=N)NN2C)C=C1C(=O)NC1=CC=C2C=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C2=C1;Cl;[KH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(NC(C)=O)C(C1=CC=CC=C1)[Sn](Cl)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C=CCCCC(N1CCCC1)N1N=NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C=C(C(=O)O)C(=O)C2=CC3=C(C=C21)OCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C1=NN(C3=CC=CC=C3)C(=O)C1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)C2CC3CC2C2COCC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=NN(C(=N)C2=CC=C(Cl)C=C2)C2=C1CCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C2C(=O)O[Sn](C3=CC=CC=C3)(C3=CC=CC=C3)OC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(CCCCN2C(=O)N(CC3CS3)C3=CC=CC=C32)C2=CC=CC=C2N1CC1CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCCNC(=S)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OCC(C)(C)C(O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2OC3C(I)CN(C(=O)OCC4=CC=CC=C4)C3C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NNC(=N)N1N1C(=N)NNC1=N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C)NC2(C)C(C(=O)OC)CC1C2(C(C)=O)C(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C(=O)O)CC(C(=O)O)=NN2C3=CC=CC=C3C3=CC=CC1=C32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(CC(O)C2=CC=CC=C2)CCCC1CC(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C(CNC(=O)C=CC1=CC(OC)=C(OC)C(OC)=C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC(=O)N1CNC1=CC=CC(NCN2C(=O)CCC2=O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=CN(CC2=CC=C(F)C=C2)C2=CC=CC=C2C1S(=O)(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C2=C(C1)NC(=S)C(C#N)C2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C2=C(C#N)C(=N)C(C#N)=C(N)N2)C(=O)OC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(C=CC3=NC=CC=C32)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C(OCC2=NN=C(CCCCCCCCC3=NN=C(COC4=CC=C5C=CC=CC5=C4O)N3NC3=CC=CC=C3)N2NC2=CC=CC=C2)C=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C(=NNC(=O)C(N)=O)C1=C(Cl)C=CC(Cl)=C1O)C1(O)C(=O)NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCC1=CC=C(OC2=CC(CC=C)=C3C(=C2O)OC(CO)C3C2=CC=C(O)C(C3=CC(CC=C)=CC=C3O)=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Ni-2]1([O+]=C2)[O+]=CC2=CC=CC(OC)=C2[OH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CCN2C(=O)C(=O)C3=CC=CC=C32)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=NC(N)=NC(C3=C(N)C=CS3)=N2)C(C)(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NN=C(C2=CC=NC(C3=NNC(=S)N3)=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC=CC(NC(=O)C2=CC=C(C(=O)O)C(C(=O)C3=CC=C(C(=O)O)C(C(=O)NC4=CC=CC(C#N)=C4)=C3)=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(OP(=O)(OCC2=CC=CC=C2)OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC(SCC2=CC=CC=C2Cl)=NC(O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CC2(OC1=O)C1=CC=CC=C1C=CC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=NC(C3=CC=CC=C3)N3C(C4=CC=CC=C4)NC(C4=CC=CC=C4)C2C3C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NS(=O)(=O)C1=CC2=S(=O)(O)N=C(C(=NNC(=O)C3=CC=NC=C3)C3C(=O)NC(=O)NC3=O)N=C2C=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1N=C(C1OC(CO)C(O)C1O)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(N2CCOCC2)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=S)C1=C(N)OC2=C(C(=O)OC3=CC=CC=C23)C1C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)COC2=CC=C(SC3=C(O)C=C(C4=CC=CC=C4)OC3=O)C(C(C)(C)C)=C2)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(C(NC2=CC=CC=C2)P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1CSC2=C(C=CC3=CC=CC=C23)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CCC(NC(=O)OCC1=CC=CC=C1)C(=O)NC(CC1=CNC=N1)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=O)C2=CC=C(OC)C(S(=O)(=O)N3C=CN=C3)=C2)C=C1S(=O)(=O)N1C=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2CCCN2C(C2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)OC1=C(C2=CC=C(F)C=C2)C(O)=C2C3=C1OC(=O)N3C=CC2C", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=C(C2=COC(CCC(C)=CC3=CC=CC=C3)=N2)OC(OC)=C(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1C=CCON2CCC3=C(C12)N(S(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N1CNC(=O)C12CCN(CC1COC3=CC=CC=C3O1)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COCCOCCOCCOC1=CC=C(C(C#N)N(CCC2=CC=CC=C2)C(=O)C2=CC(C(=O)N(CCC3=CC=CC=C3)C(C#N)C3=CC=C(OCCOCCOCCOC)C=C3)=CC(C(=O)N(CCC3=CC=CC=C3)C(C#N)C3=CC=C(OCCOCCOCCOC)C=C3)=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=CC3=C(C(=O)OC3=O)C3=CC(OC)=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(Br)=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCCCC2=NC3=C(CCCC3)C(=O)N21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(C(C(O)C3CCCCC3)C1=O)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2N=C3C=C(Cl)C=CC3=C(NCCCN(C)CCCNC3=CC=C4N=CN5C6=CC=CC=C6C(=O)C3=C45)C2=C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=C2C(=O)N(C3=CC=CC=C3)C(=O)C2=C(C)C)C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)N2CCCC(=O)NC2=C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(O)(CC1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=C(Cl)C=C1)C1=CC=C(OCCCCCCCCCCOC2=CC=C(C(=O)C3=CC=C(Cl)C=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C(=O)ON1N=NC2C3CC(OCC4=CC=CC=C4)(OCC4=CC=CC=C4)C(O3)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC2=C3C(=C1OC)C=CC1=CC=C(OC)C(=C13)OC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2CC(OC3OCC(O)C(O)C3O)C(C)C2CC=C(C=O)C2CC3(C)CCC(C(C)C)C3CC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC=CC=C1N1C(C2=CC=C([N+](=O)[O-])C=C2)=CSC1=NC(=O)C1=CC=CC([N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC1=CC2=CC(O)=CC(OC3=C(O)C=C(O)C(C(=O)O)=C3CCCCC)=C2C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C(OC(C)=O)C(NC(=O)C(Cl)(Cl)Cl)C(I)C(N2C(=O)C3=CC=CC=C3C2=O)C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)SC1=CC=CC=C1N2CCCN1C2=CC=CC=C2SC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=NNC(=O)N1C1=CC=NC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(N2N=CC(=O)NC2=O)C=CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C1=CC=CC=N1)C1=NC2=CC=CC=C2N=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=C([N+](=O)[O-])C=C2N(C(=O)OCC2=CC=CC=C2)C(O)C2CCCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)C2=CC=C(C=C2)N=CC=NC2=CC=C1C=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C(=O)OC)CC2C3=C(CC(C1=O)N2CC1=CC=CC=C1)C1=CC=CC=C1N3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=C(O)C2=C1NC(=S)N2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=NC(O)=CC(C3=CC=CC=C3)=N2)C(O)=C1CCO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=C(Cl)C=C1)C1=CC=C(OCCSCCCCCCCCCCSCCOC2=CC=C(C(=O)C3=CC=C(Cl)C=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC=CC=C2C(O)=C1C(C1=CC(C(C2=C(O)C3=CC=CC=C3OC2=O)C2=C(O)C3=CC=CC=C3OC2=O)=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC3=C(C=C2C2=C4C(=CC=C2)C=CN14)OCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCC1=CC=C2C=CC3=CC=CN=C3C2=N1)C1=CC=C[N+](CC2=CC=CC=C2)=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C(N)N1CCC(N2CCOCC2)CC1;O=S(=O)(O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NN=C1CC(C)(C)C2CCC1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(OP2(OC3=CC=CC=C3)=NP(OC3=CC=CC=C3)(OC3=CC=CC=C3)=NP(OC3=CC=CC=C3)(OC3=CC=CC=C3)=NP(OC3=CC=CC=C3)(OC3=CC=CC=C3)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=CC=C1CC1CC2=CC=C3CCCC3=C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NN=C2C3CCC(C3)C2C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1=C(C(C)C)C=C2CC=C3C(C)(C)CC(=O)OC3(C)CC2=C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NCCN1C(=S)NC1CCCCC1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CNC(=S)NN=C1C(=O)NC2=CC=CC=C12)C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C(=O)N2CCOCC2)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CC(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O[Pb](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C#N)=C1CCC2C(=C(C#N)C#N)CCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(CC3=C(C2)CS(=O)(=O)C3)C(=O)C2=C1CC1=C(C2)CS(=O)(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC1CC=CC(NC(=O)OCC2=CC=CC=C2)C1C=CC(=O)CCCCCOC(=O)C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(OC=O)C3=CC=CC=C3)C2SC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC23C4CCCN2CC2OC2C13C1CC4OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C1C(=O)C3=C(O)C=C4OC(C)(C)C=CC4=C3OC1CO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCN(CCC)C(=O)CC1=C2C3=CC=CC=C3CCCN2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1SC2=CC=CC=C2C2=C1C=CCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N(C2OC(CO)C(O)C2O)C(NNC2=CC=CC=C2)=C1NNC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=NC=CS1)C1=CC(C2=CC=CC([N+](=O)[O-])C=C2)=NC(S)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(CCC2=COC=C2)C2(C)CCCC(C)(C)C2C(=O)C1OC1C(=O)C2C(C)(C)CCCC2(C)C(O)(CCC2=COC=C2)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(C2=CC=CC=C2)=C(C2=CC=CC=C2)C(C2=CC=C(CCCCCCC3=CC=C(C4=C(C5=CC=CC=C5)C(=O)C(C5=CC=CC=C5)=C4C4=CC=CC=C4)C=C3)C=C2)=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCN1CCOCC1)C1=CC=C(I)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(ON=C1C=CC(=NOS(=O)(=O)C2=CC=CC=C2)C=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C(C2=CC=CC=C2)OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC3=C(C=C2CC12CC1=CC=C4CCCCC4=C1C2=O)CCCC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=CC=NC3=C2C=CC2=C(C4=CC=CC=C4)C=CN=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(OC)C2=C(C=CO2)C(=N)C2=C1OC(=O)C=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(NCN2C=NC3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCCCC(=O)OCC1COCO1)OCC1COCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)C2=C(O1)C(=O)C1=C(C=CO1)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC(=O)NC1=CC=C(C2=NNC(=O)C3CC23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1CC(N2C=C(C)C(=O)NC2=O)=NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2C(=C3C=CC=CC3=C1O)C1C=CC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C(=S)NC1=CC=CC=C1)C1=CC(N2CCCC2)=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC12C=CCN3CCC4(C5=CC=C(OC)C=C5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)N1C(=S)N=C(NC2=CC=CC=C2)C1=NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(OC)C(C2(O)C(=O)N(C)C3=CC=CC=C32)=C2OCOC2=C1C1(O)C(=O)N(C)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C1CC(C1=CC=CC=C1)C2C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(N)C2=C(N3CCCCC3)N=C(SC)N=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC(SC3=CNN=N3)C(CO)O2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C1=CC=CC=C1)C1=CC=CC=C1C1=CC(C2=CC=CC=C2)=CC(C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1=CC=C(N=NC2=CC=C(C3=NC4=CC=C[N+](C)=C4O3)C=C2)C=C1;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=NNC1=CC=C(S(=O)C2=CC=CC=C2)C=N1;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(#CCN1CCCC1)CCCN1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CN(S(=O)(=O)C2=CC=C(C)C=C2)CCCCN(CC2=CC=CC=C2)CCCN(S(=O)(=O)C2=CC=C(C)C=C2)C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=CC(C(=O)N2CCSC2=S)=C(OCC2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C(=O)CC(C3=CC=C(O)C=C3)O2)C(OC2OC(CO)C(O)C(O)C2O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1[OH+][Cu-5]234([O+]=C(C5=CC=CO5)C=[N+]2C2=CC=CC=C12)[O+]=C(C1=CC=CO1)C=[N+]3C1=CC=CC=C1C(=O)[OH+]4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NCCNC(=S)S[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)S[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C=CC(C)(C3C(=O)C4C(C(=O)C31)C1(C)C=CC4(C)S1=O)S2=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(NC(=O)C(=CC1=CC(Cl)=CC(Cl)=C1O)NC(=O)C1=CC=CC=C1)C1=C(Cl)C(=O)N(C2=CC=CC=C2)N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CN2CN1CN1CCN(C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCCN1CCC(C(O)C2=CC=C(F)C=C2)CC1)C1=CC=C(F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CCP(C(F)(F)F)P(C(F)(F)F)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CC1CC(C)C2(CCC3(C)CC4C5C(=CCC32)C(=O)OC5CC4(C)O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC1C2=C(SC1(F)F)C1CCC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=CCCC5CCC6(C)C(CCC7C6CCC6(C)C(C(C)CCCC(C)C)CCC76)C5)CCC4(C)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=C(C3=CC=CC=C3)SC3=NN=C(CCCCCCCCC4=NN=C5SC(C6=CC=CC=C6)=C(C6=CC=CC=C6)NN45)N3N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(OCC2=CC=CC3=CC=CC=C23)C=CC2=C1OC(=S)C=C2O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1OC1(N3CCOCC3)CCCCC1C2C[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN=C2N(C)CCCN2C1=O;I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(CC2=C(Br)CCCC2)C(=O)CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1)N1CC(C)(C2=CC=CC=C2)N(O)C(C2=CC=CC=C2)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC(Cl)=C1)NC1=CC=CN=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(NC1=NC=CC(Cl)=N1)(NC1=NC=CC(Cl)=N1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC2=CC=CC=C2N1)C(O)(C1=CC2=CC=CC=C2N1)C1=CC2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)OCC1C3=CC(O)=C4C(OC)=CC=CC4=C3OC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C2=C(Cl)N=C3C=CC=CC3=C2OC2=C1C(Cl)=NC1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=C1NC2=CC=C([N+](=O)[O-])C=C2NC1O)C1=CC=CC([N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(N2CCOCC2)C2=CN=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1C(O)(C1=CC=CC=C1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)C23OC12C(O)C1OC1C31OC2=CC=CC3=CC=CC(=C23)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CC1CCN(C(=O)C2=CC=CC=C2)C(CC2=CNC3=CC=CC=C23)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)O;O=C1C=C(N2CCN(CCO)CC2)C(=O)C2=C(N3CCN(CCO)CC3)C=C(N3CCN(CCO)CC3)N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C=CC2=C(C=C3OC4=CC=C5OC(C)(C)C=CC5=C4C(=O)C3=C2O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CCNC(=S)NC=C(C#N)S(=O)(=O)C2=CC=C(C)C=C2)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC=C2C(=C1)C=C1OC(=O)C3(C)CCCC2(C)C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NN1C(C2=CC=CC=C2)=NC2=CC=CC=C2C1=O)C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C)NC(CF)=C(C(=O)OC)C1C1=CC=CC2=C1OC1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCN1NC(=O)C(Cl)=C(Cl)C1=O)NOCCCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(C2C3=CC4=C(C=C3OC(N3CCCC3)C2C2=CC=CC=C2)OCO4)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)CP(=O)(C2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CNC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC=C2C(=N1)C1=CC=CC=C1OC2O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=NC(C(=O)NNC(=O)C2=NC(OC)=C3C=CC=CC3=C2C2=CC=CC=C2)=C(C2=CC=CC=C2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(O)C(C)=CC32)C2C(C)(C)C12OC(C)=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSCCC(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C#N)C(C)(C)N=C(C2=CC=CC=C2)C12CCCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCC2C3CC(CN12)C1CC(O)CCN1C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCC2=C(C1)SC1=C2C(=O)N(N)C(NC2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)N=C1N=C3CCCCC3=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)CCN1C3=C(CCC3)C(=O)CC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(COCC2C3OCC(C(OCC4=CC=CC=C4)C3OCC3=CC=CC=C3)N2CC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C2OC3=CC=CC=C3C1N(C1=CC=CC=C1)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=[Se])N1CCN(C2=CC=CC=N2)CC1)C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CSC(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=C3CCCN4CCCC(=C34)C=C2C2=C1CCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(OC1CC(=O)CC2C(=O)C=CC(=O)C12)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(S(=O)(=O)N2CCNNC2=O)=C(S)C=C1Cl", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CC3(C)SC(C)(CC(C)(S1)S2)S3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=[N+]2CC[N+]3=CC4=CC=CC=C4O[Co-3]23([N+]2=CC=CC=C2)OC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCN1CCCCC1)N1CCC2=C(NC3=CC=CC=C23)C1C1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C2SC=C(NC(=S)NC3=CC=CC=C3)N2NC12C1=CC=CC=C1C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC(C(O)CO)C(O)C(C2SCCCS2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C=C(N=NC2=CC=C(Cl)C(Cl)=C2)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC12CCCCCC1C1(O)C(O)CCCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(C1=CC(=CC2=CC=NC=C2)C2=CC=CC=C12)C1=CC=NC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(C)OC2(CCN(C(=O)OCC)CC2)OC1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(NC(=S)NC(=O)C2=CC=C([N+](=O)[O-])C=C2)C(=O)N(C2=CC=CC=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(=O)NC1CCCCC1NC(=O)OC(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(O)CC1=CCC1C2CCC2(C)C(=NOCCN3CCCC3)CCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(SC1=NN=NN1C1=CC=CC=C1)SC1=NN=NN1C1=CC=CC=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1OC(CCC)C2CCCOC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)OCCCN(C)OC2C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N(CCCCCCNC(C1=CC=CC=C1)S(=O)(=O)O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2C(=O)CC(C3=CNC4=NC=CC=C34)C2=O)C=C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2Cl)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NN=CC1=CC=CC(C=NNC(=O)NC2=CC=C(N=NC3=CC=CC=C3)C=C2)=N1)NC1=CC=C(N=NC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=CC=C([N+](=O)[O-])C=C2)C2=C1C(C)(C)C(C#N)=C(N)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NN2CCN=C2C2=CC=CN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=CC3=C(COC3=O)C(C3=CC=C4OCOC4=C3)=C2C(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCSC1=NC(=CC2=CC=CC=C2O)C(NC2=CC=C(C)C=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(=O)C(O)=C(CC2(C)C(C)CC=C3C2CCCC3(C)C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CN1CCN2CCOCCOCCN(CC1)CCN(CC(=O)O)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(OC)C=CC2C1C1C=CC2C1(OC)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C=CC(C)(C)C2=C(NS(=O)(=O)C3=CC=CC=C3)C=CC(NS(=O)(=O)C3=CC=CC=C3)=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C2=C(C(=O)OCC)C(C)=C(C(=O)OCC3=CC=CC=C3)N2)NC(C(=O)OCC2=CC=CC=C2)=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C=CC=C(C3=CC=CC4=CC=CC=C34)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)C1=C(CCCC1)N2CCOCCCN1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=O)NN=C(C)C1=CC=CC=N1)C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;NC1=NC=CC2=C1N=CN2C1C=C(CO)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC([N+]([O-])=NNC3=CC=C([N+](=O)[O-])C=C3)C(CO)O2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CCC(=O)C1=CC=C2CC3(CC2=C1)CC1=CC=C2C(=O)CCCC2=C1C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CNC2=C(C1)C(=O)N(C)C(=N)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1SC(C2=CC=C(Cl)C=C2Cl)N(NC(=O)C2=CC=NC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NS(=O)(=O)C1=CC=CC=C1C(=O)NN=C(C1=NC2=CC=C([N+](=O)[O-])C=C2N=C1O)C(O)C1=CC=C([N+](=O)[O-])C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CC1CCCCCCCCCCCCC(CN(C)C)C1=O;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CN1C=CC(=O)NC1=S)C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)COP(OC2=CC=CC=C2)OC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC=C1CC2C(OC)NC3=CC(O)=C(OC)C=C3C(=O)N2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(CC2=CC=CC=C2O)C(O)=C(CC2=CC(CC3=CC=CC=C3O)=CC=C2O)C(O)=C1C(=O)CCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2=NN3C(=NN=C3C(F)(F)F)SC2=C(O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=CC(C(=O)[N+]2=CC3=C(CC2)C2=CC=CC=C2N3)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)CC(C1=CC=C2OCOC2=C1)C1=C(O)C2=CC=CC=C2OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2CC3C4CCCCC4(CC[N+]3(C)C)C2=C1OC;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CS1)N(C(=S)N1CCN(C2=CC=CC=N2)CC1)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=CC(CC(NO)C2=CC=C(OC)C=C2)=NO)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(O)C2C3=C(OC)C4=C(C=C3CCN2C)OCO4)C(CO)=C1OC;O=C(O)C(O)C(O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN2C(C)=CSC2=C1P(=O)(OC(C)C)OC(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(=O)OC1CCC2C3CCC(=O)OC3C(C)(CCC(=O)O)CC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C=CC=CC2=C1C1=NC(C)(C)CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=NC(C2=CC=CC=C2)=NC=C1C1=NN=NN1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(CC2C(=O)N=C(NC(C)=O)N2C)=C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NN2C=NN=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N2C(C)=NNC2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CCC3CC(CCC#N)CCC3C21C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OC(OC)C2C(C3=C(C)C=C(C)C=C3C)=NOC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(CCC2)C2OC1C1C(=O)OCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2N(C)C23N(C)C4=CC=CC=C4N(C)C12N(C)C1=CC=CC=C1N3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=N1)C(=CC(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NC(=O)NCCC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C(=O)C=C2NC3=C(N=C2NC24CC5CC(CC(C5)C2)C4)C(=O)OC2=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(SCC1=C(O)C2=CC=CC=C2OC1=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CSC(SCC2=CC=CC=C2)C2=CC=CC3=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C2CCCCC2=NO1;C1=NOC2=C1CCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CC1=CC=C2OCC3=CC=CC=C3C(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;COC1=CC2=C3C(=C4C=CC=CC4=C(O)C3=NC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2SCCCSCCCSC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2C(=O)C1C(C(=O)O)C2C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(CC(=O)C2=CC=C(Br)C=C2)C(O)=C1C(=O)C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2=CC=CC=C2C(C)(Cl)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(Cl)=C(N=NC2=CC=C(Cl)C=C2)C(NCC2(CO)CCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1OC(NC2=CC=CC3=C(O)N=CN=C23)C(O)C1O;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1=C(C2=CC=CN2)CC(C(=O)O)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)C1(C1=CC=CC=N1)[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1N(N=CC2=CC=CC=N2)C(=NC2=CC=CC=C2)C(=S)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CSCCSCCCSC2CCCCC2SC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=C2C=[N+]3C=CC=CC3=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCCC1C(O)C1C2=CC=CC=C2C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(COC(=O)C1=CC=CC=C1)C1=NC(N(C)COC(=O)C2=CC=CC=C2)=NC(N(C)COC(=O)C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CCC1=NOC(CC2CC(CCC(=O)OC)=NO2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CNC=C1C1=CN(S(=O)(=O)C2=CC=CC=C2)C=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;N=C(NO)NN=CC1CC2C=CC1C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1N(O)CC2OC(N3C=CC(=O)NC3=O)C(O)C21O;CC1N(O)CC2OC(N3C=CC(=O)NC3=O)C(O)C21O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(C1=CN=C2SC=CN12)C(F)(F)SC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2C(C3CN(C4=CC=CC=C4)N=C13)C1C3C4C=CC21C=CC43", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC#CC#CC=C1C=CC2(OC=CC2OC(C)=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=C2C(=C1C(=O)O)OC1=CC(O)=C3C(=O)OCC3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC=C2C=C(N=NC3=CC(S(=O)(=O)O)=C4C=CC=NC4=C3O)C=CC2=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NP(=O)(NC1=CC=CC=C1)NC1=CC=CC=C1)N1CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3=CC=CC=C3C1=NNC(=O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(OC2=CC=CC(OC3=CC=C4C5=NC6=NC(=NC7=NC(=NC8=NC(=NC(=N5)C4=C3)C3=CC=C(OC4=CC=CC(OC5=CC=CC=C5)=C4)C=C83)C3=CC=C(OC4=CC=CC(OC5=CC=CC=C5)=C4)C=C73)C3=CC(OC4=CC=CC(OC5=CC=CC=C5)=C4)=CC=C63)=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)C2=C1C1=C(C(=O)C3=CC=CC=C3C1=O)C1=C2C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=C(O)C(N)C2CC3=C(C(=O)C2(O)C1=O)C(O)=C1C(O)=C(C)C=CC1=C3C;CCCCCCCCCCCCOS(=O)(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C(N2CCCC2)N=C(N2CCCC2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(CCCCC(C)(C)C1NC(=O)N1)C1NC(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1(CC)COP(=O)(OC2=CC=CC=C2)OC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC(=O)CN1CC(=O)N(C)C(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=C3C(=C1)C=CC=[N+]3[Mn]1(O2)OC2=C3C(=CC=C2)C=CC=[N+]31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)OC(CC2=CC=CS2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CS(=O)(=O)OC1C(COC(=O)C2=CC=CC=C2)OC2C1OC1=NC(=O)C=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)NCCC2=CC=CC=C2)CC(C(=O)NCCC2=CC=CC=C2)=C(C)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(SSC1=CC=C(C(C)(C)C)C=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2C3=C(O)C=C(C4=CC5=CC=C(O)C=C5O4)C=C3OC3(C4=CC=C(O)C=C4O)OC4=CC(O)=CC=C4C(C1)C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C(C2=NC3CCCCC3N2)C=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(N=NC(=O)N1CCOCC1)N1CCOCC1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=C2C(=O)N(C3=CC=C(OC4=CC=C(N5C(=O)C6=CC=C(C(=O)O)C=C6C5=O)C=C4)C=C3)C(=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1C2=CC=CC=C2N=C(C2=CC=C(Cl)C=C2)CC1C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1C(C(=O)OC)C12C=CC1=CC=CC=C1C=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N(CC(=O)C(=O)NNC1=COC=C1)C1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=C2C=CC=C2)C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C3=CC=CC=C3C(C)(C3=C1C=CC1=CC=CC=C31)C1C(=O)OC(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C2=NO[N+]([O-])=C2C2=C(S(C)(=O)=O)SC(C)=C2)=C(S(C)(=O)=O)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2CCC3=CC4=C(C=C3C2=NOC(C)=O)OCO4)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CC(NC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)NC(COCC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=CC=C2NC=C(C=NN3CCCCCC3)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(C1=CC=CN=C1)C(F)(F)C1=NC2=CC=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CC=CC=C1)C(=O)NC1=NN=C(C2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "I;O=C1NC2=CC=CC=C2C1=NNC1=NCCCCN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)NC1CC(O)C2=CC=CC=C2N(CC(=O)O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCC2CCCN2CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;CN1C2=CC=CC=C2N2C3=CC=CC=C3C3=NNC(=N)C3=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=C(CN2CCC3=C(NC4=CC=CC=C34)C2CO)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC(=O)N(C)C2=C(C1=O)C(C)=C(C)S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2NC1C1OC(C2=CC=CC=C2)=CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CCCC(C)C1CCC2C3CCC4CC(CC=C(C5=CC(Cl)=C(O)C(C(=O)O)=C5)C5=CC(Cl)=C(O)C(C(=O)O)=C5)CCC4(C)C3CCC12C;N", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(N2C(C3=CC=CC=C3)C3=CC=C(C)C=C3NS2=O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)C2(C)CCC3(O)CCCC132", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(CCN1CC2CCC(CC2)C1)(CC1=CC=CC=C1)C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC2(CC1CCS(=O)C1=CC=CC=C1)OCCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(OC(C)=O)C(NC2=NC=C(C3=CC=C(C)C=C3)S2)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)N1OCCCCON1C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=NC2=C3C=CC(C)(C)OC3=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C([OH+][Fe+2]123(C#[O+])(C=C1[CH-]2)[PH](C1=CC=CC=C1)(C1=CC=CC=C1)CC[PH]3(C1=CC=CC=C1)C1=CC=CC=C1)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(CCC2)OC2=CC(OCC3CO3)=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(O)CCC23CC1CC2CC(OC(=O)C1=CC=CC=C1)C1C(C)(C(=O)O)CCCC13C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CN1C(=O)NCCCCCCNC(=O)N1CC1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC(=O)CC2(C)OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2(CCNCC2)C(=O)N1N1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC([N+](=O)[O-])=C(C)C2=C1NC1=CC=C(C(CCC3CCCC3)=NN)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(OC)=C2C(=C1)OC1OC(=O)CC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C1C(=CC2=CC=CC=C2)CN(C(=O)CCN2CCCCC2)CC1=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(OCC(=O)C3=CC=CO3)OCC(=O)C3=CC=CO3)O2)C(=O)NC1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC2=C(C=C1C#N)SCCSCCCSCCS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCN1C2=CC=CC=C2C2=NC3=CC4=CC=CC=C4C=C3N=C21;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=C(C(=O)CN1CCCC1=O)S(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1C1=NN(C(=S)NC2=CC=CC=C2)C(=S)N(C(=S)NC2=CC=CC=C2)C1=O)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C2NC3=CC=CC=C3C23CCN2C(=O)CC(C1)C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OCC1=CC=CC=C1)N1N=NC2C1C1CC(OCC3=CC=CC=C3)(OCC3=CC=CC=C3)C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=C3C4=CC=CC=C4N(C4=CC=CC=C4)C3=C2C(=O)N1C1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC2=CC=CC=C2N(C)C2=C1C(C1=CC=CC=C1)=NN2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CCC23CC(CCC2C12CC(C1=COC=C1)OC2=O)OC3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=NN2C(C3=CC=CC=C3)=NOC2C2C(C3=CC=CC=C3)=NOC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C=NNC1(C)C(=O)C1(C)CN=NC1(C)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=C(Cl)C=C1)C1=CC=C(N=[N+]([O-])C2=CC=C(C(=O)C3=CC=C(Cl)C=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CN(CC=CC2=CC=CC=C2)C(=S)N1CC=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC12OCC(OC1OCC1=CC=CC=C1)C1OC(C)(C)OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC(N=NC2=C(O)N=CN=C2O)=CC=C1C=CC1=CC=C(N=NC2=C(O)N=CN=C2O)C=C1S(=O)(=O)O;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1(C#N)C=CC(=C2OCC3CCCN23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C=C(CCCCCCCCCCCCC(O)C2CCC(C3CCC(C(O)CCCCCCCCCCCCC4=CC(C)OC4=O)O3)O2)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(Cl)=CC(OCC2(CO)CCCCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1O)C1(CC3=CC=C4OCOC4=C3C1=O)N(C)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC(C(=O)NC2=CC=C(C3=NCCN3)C=C2)=CC(C2=NCCN2)=C1)C1=CC=C(C(=O)NC2=CC(C(=O)NC3=CC=C(C4=NCCN4)C=C3)=CC(C3=NCCN3)=C2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2=CC=C3C(=O)C=C(C4=CC=CS4)OC3=C2C1C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN=C(N)N=C1C=CC1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NOC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2NC(SSSSC3=NC4=CC=CC=C4N3)=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC2=C(C=C(C3=CC=CC=C3)O2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)(C)NC2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)C(=CN2C(=O)C(=CC3=CC=CN=C3)NC2=S)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC2=C(N=C3CCCCCN3C2=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C(=CNC(=S)NCC2=CC=CC=C2)C(=O)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=CC(CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])=CC(NC#N)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(NC(Br)=N2)N(C)C1=O;COC1=CC=C(CN(CCN(C)C)C2=CC=CC=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=NC(=O)C(=CC2=CC=C3OCOC3=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=C(O)C(O)=C1)OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=NSN=C2C2=CNC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NC(O)=C2N=NOC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C(=O)N(C)C(=O)C2=C(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1C=CC(C)N2C(=O)C3=CC4=CC=CC=C4C=C3C(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C(=O)NC2=NC=CS2)=C(O)C2=CC=CC=C2S1(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2(CCN(CCCN(C)C)CC2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NC1=NN(C)C(=NCC2=CC=CC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CNC(=S)C1=CC=NC=C1)C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C;N=C1CSC2=NC3=C(CCCC3=CC3=CC=CC=C3)C(C3=CC=CC=C3)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCC1=C(O)C2=NSN=C2C2=NSN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CN(S(=O)(=O)C2=CC=C(C)C=C2)CCCN(CC2=CC=CC=N2)CCCN(S(=O)(=O)C2=CC=C(C)C=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(S(=O)(=O)N=C(NN)NNC2=CC=CC(C(F)(F)F)=N2)=C(S)C=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCN1C(=O)C(=O)N(CC=C)C(=O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NC(S)=NC2=C1CN(CCCN1CCOCC1)CN2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)N1CCN(C(=S)N(C(=O)C2=CC=CC=C2)C2=CC=CC=C2)C1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1N=C(C2=C(C)C(C3=NN(C(C)=O)C(=S)O3)=C(C)N2)OC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=CC=C2C3=CC=C(Br)C=C3C3(C2=C1)C1=CC(Br)=CC=C1C1=CC=C(Br)C=C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NON=C1NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC3C(CCC4C5=NON=C5CCC43C)C1CC(=NO)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2SSC3=CC(C)=CC=C3SSC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(COC(=O)NC(CC2=CC=CS2)C(=O)O)=C([N+](=O)[O-])C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC2=CC3=C(OC4(OC5=C(O)C6=C(C(=O)C=C(OC)C6=O)C(O)=C5C4OC4CC(OC)C(O)C(C)O4)C(O)C3)C(O)=C2C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCCC1=C1C(=O)NC2=CC(F)=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OC2COC(C3=CC=CC=C3)OC2C2OC(=S)OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NC(=O)C1=CN(CCCCCOC(=O)NCCCCCCNC(=O)OCCCCCN2C=C(C(=O)NC(=O)OCC)C(=O)NC2=O)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CN1CCC=C(C2=CC3=CC=CC=C3N2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC=C(OCCN2N=NC(C(=O)NN)=C2C(=O)NN)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+](C)(CCOC1=CC=CC=C1)CC1=CC=CS1;O=S(=O)(O)C1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1COP(=O)(OCC2=CC=CC=C2)OC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(N2CCCC2)NC(=N)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=NC(O)=C3CCCC3=N2)C(O)=C1CCO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[N+]2=CN=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1SC(SC)=NN1C(=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)N1N=C(SC)SC1OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CS1)N1CCCN(C(=O)C2=CC=CS2)C1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C2=C(C(=O)N(CCC3=CC=CC=C3)C2=O)C(N)=C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2N=C3C=C(Cl)C=CC3=C(NCCCNCCCNC3=C4C=C(OC)C=CC4=NC4=CC(Cl)=CC=C34)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC[Sn]1(CCCC)ON=CC2=CC=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(C1=CC=CC=C1)N1CC2CC(Br)C(Br)CC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C2C(=O)C3C4N(C)C5CC3(C1OC(C)=O)C(C2OC(C)=O)C41C(OC(C)=O)C(OC(=O)C2=CC=CC=C2)CC(C)(C=O)C51", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=CC3=C1C1=C2SC(=S)N1CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OC2COC(C3=CC=CC=C3)OC2C2NC(=N)N([N+](=O)[O-])C12OS(C)(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)ON1C(C2=CC=CC=C2C2=NC3=CC=CC=C3N2OC(C)=O)=NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N(C(C)C)P(OCCC#N)OC1CC(N2C=NC3=C(O)N=CN=C32)OC1COC(=O)NCCCCCCNC(=O)OC(C)(C)C1=CC=C(C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)C(=O)C(C(=O)O)=CN2CCCOC1=CC=C([N+](=O)[O-])C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N2C=C(C3=CC=C(Cl)C=C3)C3=C2N=CN(N)C3=N)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C(C=CC2=NC3=CC=CC=C3S2)C=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=O)C(C3=CC=CC=C3)SCC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(C2=CC=CC=C2)(N2CCCCC2)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NN1C(C2=CC=CC=C2NC2=CC=CC=C2C2=NNC(=S)N2N)=NNC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CN=C2C(=C1)C(=O)N=C1SCCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC=CC=C1SCC1=CC(=O)C=C(CSC2=CC=CC=C2C(C)C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C=O;O=C(NC1=NN=NN1)C1=NC(O)=CC(C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NNC(=O)N1N=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=CC(NN=C(C=CC2=CC=C(CC(=NNC3=CN=NC(O)=C3Cl)C3=CC=CC=C3)C=C2)C2=CC=CC=C2)=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2C(=O)C3C4=C(C5=CC=CC=C5N4)C4CCCCCCCC4C3C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CNC(=O)N1C1CCC(CO)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(SCCN2CCCCC2)N(C2=CC=CC=C2)C(=S)N(C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C[N+]12CC=C(CO)C1C(O)CC2)C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)OC(C2=CC=CC=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1C[S+]2CC[S+]1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(O)OC(=O)C2=C1CCC1C2CCC2(C)C(O)CCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1O)C1=NNC=C1CCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1=C(C)N=NN1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2CCCCC3=C(CCC2=C1)NC1=CC=CC=C31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)SC(=C(N=NC2=CC=CC=C2)C2=CC=CC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1CN2CCC1CC2=NO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)[O-])C=C1;CC1=CC=C(S(=O)(=O)[OH+][Pd-2]23[N+](C)(C)CC[N+]2(C)CC[N+]3(C)C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCON2C1=NC1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NOC2=C1N=C(C1=CC=CS1)CC(C1=C(Cl)C=CC=C1Cl)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCCN1N1CCOC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2NC2=C(Cl)C=C(Cl)C(NC3CCCCC3)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(SSSSC(=S)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=C(NCCC2=CC=CC=C2)C2=C1N(CC1=CC=CC=C1)N=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C(=N)C1=CC=CC=C1)=C1SSC(=C(C#N)C(=N)C2=CC=CC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC(F)(F)C1=CC=C2C(C3=CNC=C3)=CC=NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(O)P2(=O)O[Pd-2]3(NCCN3)OP1(=O)O[Pd-2]1(NCCN1)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(CC1OCCO1)C1=NC(C)(C)CC(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=NC2=CC(NC(=O)C(CCCNC(=N)N)NC(=O)OCC3=CC=CC=C3)=CC=C12;O=C(O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1OC1=C(OC(C)=O)C3=CC=C(N(C)C)C=C3C(O)=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(C=C(OCC(=O)N5CC(C)(C)C5)C4=C3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C1=CC=CC=C1)N(CCC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)N(CCC2=CC=CC=C2)C(C#N)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CSC1=CC2=C(SC3=CC=CC=C32)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC(N2C(=O)C3C4C=CC(CC4)C3C2=O)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CC(SC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CSC(=O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N=C2C(=NC(C3=CC=CC=C3)=C(C3=CC=CC=C3)N2C2=CC=C(Cl)C=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1C2=CC(C(C)C)=C(O)C(O)=C2C23CCCC(C)(C)C2C1OC3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC2C(C)CC3C4C(C)(C)OC(=O)C4(C)C(=O)C23C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C(NC(=O)NC2=CN(C)C(C(=O)NC3=CC=C4C=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C4=C3)=C2)C=C1C(=O)NC1=CC=C2C=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C2=C1;[NaH]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12ON=C(C3=CC=CC=C3)N1C=CN1C(C3=CC=CC=C3)=NOC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=NO[N+]([O-])=C1C(=O)C1=CSC2=CC=CC=C12)C1=CSC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC(=O)C1=CC=CC=C1)NC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC(F)(F)C1=CC=C2SC3=CC=CC=C3N(CCCNCCN3CCOCC3)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1C2=CC(OC)=C(OC)C=C2C2=CC=C3C=CC=CC3=C2N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(O)=C(C(CCC2=CC=CC=C2)C2=C(O)C(=O)C3=CC=CC=C3C2=O)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1(CC(CCCN2CCCCC2)C2=CC=CC=C2)CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1CCC2=C1N=C1C(=C2C2=CC=CC=C2)CCC1N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(CSC1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2SSC2=CC=CC=C2C(=O)NC2=CC=C(S(N)(=O)=O)C=C2)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CC2OC(C3=CC=CC=C3)OC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(CCCN1CCC2(CC1)CC(C1=CC=CC=C1)OC2=O)C1=CC=C(F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(NC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)N2C(=O)N(C)C(=O)N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(CCCC2)NN1C1=NC(O)=CC(C2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC2=C(OC1=O)C1=CC=CC=C1OC2=O)C1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;CC1=CC=C(S(=O)(=O)O)C=C1;C[N+]1=C2C=CC=CN2C=C1C1=CC=C(C=NNC(=N)N)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C2=C(CCN1C(C)=O)C1=CC=C(OC)C([N+](=O)[O-])=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C(C=NNC1=CC=CC=C1)C=NNC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OC(OC2=CC=CC=C2)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=NNC2=NC3=CC=CC=C3C(=O)N2C2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1COC(C2=CC=CC=C2)C(C2=CC=CC=C2)(C2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2N2OC3(N4CCOCC4)CCCC3C12C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C(C#N)C(SCC(=O)C2=C(O)[N+]3=C(C)C=C(C)C(C#N)=C3S2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC2=CC(C)=CC(C(=O)C3=CC=C([N+](=O)[O-])C=C3)=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC2C3=C(CC(C1=O)N2C)C1=CC=CC=C1N3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C([N+](=O)[O-])C2=C(NCCNC(=O)CN3C=CN=C3[N+](=O)[O-])C=CN=C12;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=C(C=C1NC1=NCCO1)CCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "FC1=C(F)C(F)=C2C(=C1F)CSC1=NC3=CC=CC=C3N21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(C=C(OCC(=O)N(C)C5CCCCC5)C4=C3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=NN(C3=CC=CC=C3)N=C2C(C2=CC=CC=C2)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)[PH](F)(F)[Fe+2]1234([IH-])([PH](F)(F)N(C)C)C5=C1[C-]2C3=C54", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=CC=CC=C2C(O)=C1C(C1=CC=C2OCOC2=C1)N1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CN1CCCCC1)C1=CC=C2OC3=CC=C(C(=O)CN4CCCCC4)C=C3CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)C=C1C3N=NCC3CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(O)CCCC1CCC2C3CCC4CCCCC4(C)C3CCC2(C)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CCON=C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NO)C1CCC2C3CCC4=CC(=NO)CCC4(C)C3C(=O)CC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1(C)CN(C2=CC=CC=C2)C2(CCN(CCCC(=O)C3=CC=CS3)CC2)C1=O;O=C([O-])C=CC(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(N=CC1=CC=CC=N1)C1=NCCCCN1;I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCSC1=NC(N)=C2C(C3=CC=CC=C3)=C3CCCC3=NC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCC(C)CCC(O)=C1C(=O)OC(CC(=O)O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C2=C(C)C(=O)C3=C(C2=O)C(C=O)=C(O)C(O)=C3C(C)C)C(=O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC(C(=CCC2OCCO2)C2=CC(Cl)=C(OC)C(C(=O)OC)=C2)=CC(Cl)=C1OC", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;N=C(NC1=C([N+](=O)[O-])C=NC2=CC=CC=C12)N1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC2(CC(Br)C(=O)C3=CC=CC=C32)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(OC)C(O)C1OC=CC1N1C=NC2=C(N)N=CN=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=O)C2CCC(C(=O)O)C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N=NC2=CC=C(O)C(N=NC3=CC=C(S(=O)(=O)O)C=C3)=C2O)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=C3C=C2C(=S)C2=CC(=CC=C21)OCCOCCOCCOCCOCCO3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1C2=CC=CC=C2C2=NN=C(N(C)C)SC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=C(C2=NC(N)=NC3=C2CCCC3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2C(=O)C(N=[N+]=[N-])C2C2COC(C)(C)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=NN=NN2C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1C(O)CC(C2=CC=CC=N2)N(CC2=CC=CC=C2)C1C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C2CC=CC2=CC2=C1CC1(C2)CC2=CC3=C(CCC3)C(C(C)=O)=C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CC=C(O)C(O)=C1)C(=O)NCCC1=CC=C(O)C(O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COCCCNC1=C(C#N)C(=O)NC(C2=CC=CC([N+](=O)[O-])=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1C2CC3C(NC(=O)C31)C2O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2C(=O)N1CCCN1CCN(C2=CC=CC(Cl)=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2(C=C1)OC21CCC2(C=CC3(C2)OC3C2CCCCC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)C2=C(NC3=CC=CC4=C3C(=O)C3=CC=CC=C3C4=O)C=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)NCC2=CC=CC=C2)C(C2=CC=C(C3C(C(=O)NCC4=CC=CC=C4)=C(C)NC(C)=C3C(=O)NCC3=CC=CC=C3)C=C2)C(C(=O)NCC2=CC=CC=C2)=C(C)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C;O=C(O)C1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=NN=C3SC4=CC=CC=C4N23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C(=CC2=CC=NC=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(C2=CC=C(Cl)C=C2)NC(=O)N1CCCl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=O)CCCN(C)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1N(S(=O)(=O)C2=CC=C(C)C=C2)CCC12C(C1=CC=C(OC)C=C1)NC1CCCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NC1=NCC(CN2CCN(C3=CC=CC=C3)CC2)O1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C2=CC=C(C3=CC(C4=CC=CS4)=C(C4=CC=CS4)N3C)C=C2)=CC(C2=CC=CS2)=C1C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCSC1=C(C2=CC=C(C)C=C2)SC(=NC2=CC=C(N=C3SC(C)=C(SC)S3)C=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=CC=[N+]3C4=CC(OC)=C(OC)C=C4C(C)=CC3=C2C=C1OC;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)CCC2(C3=CC=CC=C3)CC=C(O)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "I;OCCN(C1=NCCN1)[N+](=CC1=CC=CC=N1)[CH-]C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C(N)=C(C#N)C(C)=C2C(N)=C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C2=CC=CC=C2)C(C(OC(C2=CC=CC=C2)C2=C3C=CC=CN3C(C(=O)OCC)=C2C2=CC=CC=C2)C2=CC=CC=C2)=C2C=CC=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1(O)C(=[N+]=[N-])C(=O)NC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC=C1CC2C3CCC4CC(C(C)=O)CCC4(C)C3CCC2(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=C(C3=CC=CC=C3)N=NC(O)=C2C2=C1CCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(OCC)C1=CC=C(N2C(=S)NC=C(C#N)C2=N)C2=C1OC2=NC=C(C#N)C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(C)(C)OC1=CC=C2C(C3=CC=C(Cl)C=C3)=C(C3=CC=C(Cl)C=C3)C(=O)OC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(NC(=O)C(=CC=CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1)C1=C(Cl)C(=O)[N+](C2=CC=CC=C2)=CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2N=C(NN=CC(C)=NNC3=CC(C)=C4C=C(OC)C=CC4=N3)C=C(C)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC=CC=C2C(=O)C1=CNC(=S)NCCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CN1C2=CC=C(Br)C=C2C2=NC3=CC=CC=C3N=C21)NCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C2C(=C1)C1=NN2CCCCOC2=NN(CCCCO1)C1=CC=C([N+](=O)[O-])C=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC=C1C2CC3C4=NC5=CC=CC=C5C4(C2C(=O)OC)C2C(O)ON3C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CNCC(C)(OCC2=CC=CC=C2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(CO)C2CC3CN(C(=O)C4=CC=CC=C4)C(C2)C31C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NC2=CC=CC3=C(O)N=CN=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2N=C([Se][Se]C3=CC=C4C=CC=CC4=N3)C=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(NCCNC(=S)SSC(=S)NNC1=CC=CC=C1)SSC(=S)NNC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C([O-])[OH+][Co-2]1([OH+]C(=O)[O-])NCCN1;[K+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(N2N=C3C(=O)C4=CC=CC=C4C3=C(C#N)C2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=CC2=C(O)C(=C1)CC1=C(O)C(=CC(CC)=C1)CC1=CC(CC)=CC(=C1O)CC1=C(O)C(=CC(CC)=C1)CC1=C(O)C(=CC(CC)=C1)CC1=C(O)C(=CC(CC)=C1)CC1=C(O)C(=CC(CC)=C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1([N+](=O)[O-])CCC([N+](=O)[O-])([N+](=O)[O-])C2=NN(C3=CC=CC=C3)N=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)OC2=CC(C(=O)CSC(=S)N3CCCCCC3)=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C1=CC=C(N=NC2=CC=C(C3=NC4=CC=CN=C4O3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1=C(O)N=C2CCC3=CC=CC=C3C2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;N=C(C1=CC=C(C2=CN3C=C(C(=N)N4CCCC4)C=CC3=N2)C=C1)N1CCCC1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)NC(=O)NC(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCNC(=S)NC1=NC(C(=O)NNC(=S)NC2=CC=CC=C2)=CS1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(C3NC(=S)NN=C31)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1CCCCC1C(N)C(=O)O;NC(C(=O)O)C1=CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC=C1C1=NC2=CC=C(N)N=C2N=C1N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=C1SC([C-](C(=O)OC)[N+]2=CC=C3C=CC=CC3=C2)=NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C12CC3CC(C1)C2C=C3P(=O)(O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(CCOC1=CC=CC=C1OCCP(=O)(C1=CC=CC=C1)C1=CC=C2OCCOCCOCCOCCOC2=C1)(C1=CC=CC=C1)C1=CC=C2OCCOCCOCCOCCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C(N)N1N=C2CCCCC2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCCNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CN=CC(C(=O)NC5=CN(C)C(C(=O)NC6=CN(C)C(C(=O)NC7=CN(C)C(C(=O)NCCCN(C)C)=C7)=C6)=C5)=C4)=CN3C)=CN2C)=CN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C(C2=NN=C3SC(C4=CC=CC=C4)NN32)C(Cl)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)N(N=CC2=CC=CO2)C(C2=CC=CO2)=C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC(C2NC(=O)C3=C(NNC3=N)S2)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC(=O)CCS)C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC=N1)C(=O)NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCCCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCON=C(OC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=C2C3=C(C(=O)C4=C(OC5CC(O)C(OC6CC(OC7CCC(OC8CC(O)C(OC9CC(OC%10CCC(O)C(C)O%10)C(O)C(C)O9)C(C)O8)C(C)O7)C(O)C(C)O6)C(C)O5)C=CC(O)=C4C3=O)C(O)CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CC(=O)OC(CC3=CC=CC=C31)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCCCN1C2=CC=CC=C2SC2=CC=C(C(=O)C3=CC=CC=C3)C=C21;O=C(O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC(=O)C2=C(C1)N=C1C(=C2C2=CC=C(NC(=O)CCC(=O)NC3=CC=C(C4=C5C(=O)CC(C)(C)CC5=NC5=C4C=CC4=CC=CC=C45)C=C3)C=C2)C=CC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C2CS(=O)CC2=C(C(=O)OC)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=NCCCN1CCN(CCCN=CC2=CC=CC3=CC=CC=C23)CC1)C1=CC=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(N=NC2=CC=C(N(C)C)C=C2)C=C[N+]([O-])=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C(=O)CCCCOC2=CC=C(C3=NCCO3)C=C2)=C(C)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C)C1CC2=C(C(=O)OC)C=C(O2)C(C(=C)C)C2C=C(C(=O)O2)C2OC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCCN(C)CCCN(C)CCCN(C)CCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C1=CC=CC=C1)N(CCOCCOCCN(C(=O)C1=CC=CC2=CC=CC=C12)C(C#N)C1=CC=CC=C1)C(=O)C1=CC=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(P2CCC3=C(C2)C2=CC=CC=C2N3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(C1=CC=C(OC)C=C1)N1C(=O)C(NC(=O)C2=CC=CC=C2)C1C(C)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(N2C(=O)C(=CC3=CC=C(N(CCC#N)CCC#N)C=C3)N=C2C2=CC=CC=C2)C(=O)N(C2=CC=CC=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CN=C2N=CN1CCN1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC(Cl)=CC2=NSN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NNC2(C(=S)N1)C1=CC=CC=C1C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)N=C1NC3CCC(C3)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C(O)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)N1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1SCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CN(C2=NN=C(N3CCC3)N=N2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CC(C2=CC=CC=C2)=CC2=C1C=CC(=N)C2=NN", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C1=CC2=CC3=CC(C(C)(C)C)=NC(O)=C3C=C2S(=O)(O)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NC1=CC=C2N=C(N3CCCCCC3)SC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CC(O)CCC1C1=CC=C(OC)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CN(C2=CC=CC=C2)C2(CCN(CC3=CSC4=CC=CC=C34)CC2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClP1NC2=CN=CN=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCC[N+]1=NOC(N)=C1C1=CC=C(C2=C(N)ON=[N+]2CCCCCC)C=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CN(C(=O)OCC23COC4(C)CCC(C)(OC2)N34)CC(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=NC(=O)C=C(CCl)N2C(=O)N1C(=O)C(O)C(O)C(O)CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=C(CC2=CC=CC=C2)N(COCC[Se]C2=CC=CC=C2)C(=O)NC1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;NC1=NC(O)=C2NC(CO)CNC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)N1C=CC2ON=C(OC)C2C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1(CC)C(=O)[NH+]([Au-][PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)[NH+]([Au-][PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C(=CC1=CC=CC=C1N)C(=O)OC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1NC(=O)C2CC3=CC(=C(O)C=C3)OC3=CC(=CC=C3)C(O)C(C(=O)N2C)N(C)C(=O)C(C)NC(=O)C(CC2=CC=C(O)C(O)=C2)N(C)C(=O)C(C)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OCC1=CC=CC=C1)N1N=NC2C3CC(OCC4=CC=CC=C4)(OCC4=CC=CC=C4)C(O3)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Ni-2]2(SC#N)[N+]2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OCC12CC3CC(CC(C3)C1)C2)C1=CC=C(NCC2=CC(O)=CC=C2O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[C-]1C(=O)C(=O)C2=CC=CC=C2[N+]1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NS(=O)(=O)N=C2NON=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)SC(=C(Br)C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(Br)=C2SC(C(=O)OC)=C(C(=O)OC)S2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCC2(CC1)OCCN2CCO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC(NC2=NC(Cl)=NC(Cl)=N2)=CC=C1C1=C2C=CC(=O)C=C2OC2=CC(O)=CC=C12", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1)N1C(=O)C(OCC2=CC=CC=C2)C1C(COC(=O)COCC1=CC=CC=C1)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2C2=CC=C3C(=O)C=C(C4=CC=CC=C4)C(=O)C3=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=CC=C1P12(OC(=O)C3=CC=CC=C31)OC(=O)C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=CC3CCC2C3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC(NCCCN)=C2N=C(OCC3=CC=CC=C3)C=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)C(N1CCCCC1)=CC1=NC3=C(C=C(N4CCCCC4)C4=CC=CC=C43)N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C)NC2=C(C(=O)C3=CC=CC=C23)C1C1=CNN=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)CCCCCCCCCCSC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(NC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CCN1C(=O)C(C2=CC=CC=C2)(C2=CC=CC=C2)NC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC2=C(N)N=CN=C2N=C1N1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CC(NC(=O)OCC1=CC=CC=C1)C(C(=O)OCC1=CC=CC=C1)C1(C)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(Br)C=C1)C1=C(C2=CC=CC=C2)C2=CC=C(O)C=C2OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH]2(C3=CC=CC=C3)CCN[Pt-2]23NCC[PH]3(C2=CC=CC=C2)C2=CC=CC=C2)C=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1CCCN(N2CCOCC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCC1=C(C2=CC=C(C3=CC=C(C4=C(CCCCCCCCCCCC)C=C(C5=CC(CCCCCCCCCCCC)=C(C6=CC=C(C7=CC=C(C8=C(CCCCCCCCCCCC)C=CS8)S7)S6)S5)S4)S3)S2)SC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=CC=CC(NCN2N=NC3=CC=CC=C32)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(C2=C(I)C(=O)N(C)C(=O)N2C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC(C1CO1)C(O)C1CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(OCC1CCCO1)(OCC1CCCO1)OCC1CCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC=CC2=C1C(=O)C=CC21C2=CC=C(N(C)C)C3=C(N(C)C)C=CC(=C23)C(C2=CC=CC=C2)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NCCSCCNS(=O)(=O)C2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1(CC2=CC=CO2)CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C2C3=CC=C(N)C=C3C3(NC(=O)NC3=O)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1=C2C=CC=CN2C=C1C1=CC=C(C=NN=CC2=CC=C(C3=CN4C=CC=CC4=[N+]3C)C=C2)C=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C(N2CCCC2)OC2=CC3=CC=CC=C3C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=[O+][Cu-3]23[O+]=C(C)CC(C)=[N+]2C(C)C[N+]3=C(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=[N+]3C1=CC1=CC(C)=C4C=C5C(C)=C(CCC(=O)O)C6=[N+]5[Pd-2]3(N14)N1C(=C2)C(C)=C(CCC(=O)O)C1=C6", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(NC(=O)C(=CC=CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1)C1=C(Cl)C(=O)N(C2=CC=CC=C2)N=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CC1=CC=C(O)C(O)=C1)C(=O)NCCCCCCCCCCNC(=O)C(C#N)=CC1=CC=C(O)C(O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)N1CCC2(C3=CC=CC=C3N(C(C)=O)C2C2=CC=C(O)C=C2)C1C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C(CC1=C(C3=CC=CC=C3)CN3CCC4=CC(OC)=C(OC)C=C4C3C1)NCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(OP2(=O)NC3=CC=CC=C3C3=CC=CC=C3N2)=CC=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(P(C2=CC=CC=C2)C2=CC=C(P(C3=CC=CC=C3)C3=CC=CC=C3)N=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C2=CC=CC(C3CC4(CCC3=O)OCCCCO4)=C2)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(OC(C)=O)C1C=CC(C)N(C2=CC=C([N+](=O)[O-])C=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N1CCCC1C(=O)OCC1=CC=CC=C1)C(C)C)C(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ON=C1C(=CC2=CC=C3OCCOC3=C2)CCCC1C(NO)C1=CC=C2OCCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CCCN(CCC#N)C1=CC=C(C=C2N=C(COC3=CC=C(Cl)C=C3Cl)OC2=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(N=NC1=CC=CC=C1)NNC1=CC=CC=C1;O=C(NNC1=CC=CC=C1)NNC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(C2=CC=C3C=CC=CC3=N2)=C(O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1OC(C2=CC=C3OCOC3=C2)C(NNS(=O)(=O)C2=CC=CC=C2)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC(=O)C(C#N)=CC1=CC=C2NC=CC2=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(C2=CC=CC(C3=NC4=C(CCS4)C(=O)O3)=C2)=NC2=C1CCS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)N=C2OC3=CC=CC=C3C3C2=C1NC(=O)C3C(N)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2=C1C1=CC=CC=C1C(=O)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC=NC2=C1N=CN2C1C(=O)C(CO)C1CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[IH-][Pd-2]([IH-])([PH](N1CC1)(N1CC1)N1CC1)[PH](N1CC1)(N1CC1)N1CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCC1CCC(N2N=NC3=C(O)N=NC=C32)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CSC(C2=NN3C(C45CC6CC(CC(C6)C4)C5)=NN=C3S2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C3C(=CC=CC3=CC=C2)C(=O)N1C1=NC=NN1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=NC2=CC=CC=C2S(=O)(=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(S(=O)(=O)NC2=NC3=C(SC(C4=CC=C(Cl)C=C4)=C3)C(=O)N2N)=C(S)C=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C(SC(C)C(=O)C2=C(C)N(C)N(C3=CC=CC=C3)C2=O)=NC2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(N)C(=O)C2=C(CCC(C3=NC(C(=O)O)=C(C)C(C4=CC=C(OC)C(OC)=C4O)=C3N)N2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C2(C#N)C(=O)N3C(=NC(C4=CC=CO4)NC3C3=CC=CO3)C2(C#N)C(C2=CC=CO2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=CNC=C1CCCCC1=CNC=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N2CCC(C(=O)O)=CC3=C2NC(=O)N(C2=CC=CC=C2)C3=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(CC2=CC=CC=C2)C(=O)N2CCCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1CCC(C#CC#CC2CCC(O)CC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=[N+]2C(C3=CC=CC=C3)=S3[Pt+2]24N1C(C1=CC=CC=C1)=S4[Pt+2]31S2=C(C3=CC=CC=C3)N3C(C)=CC(C)=[N+]4C(C5=CC=CC=C5)=S1[Pt+2]342;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC(C(O)CO)C(C2NCCS2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CS(=O)(=O)OCCN(CCOS(C)(=O)=O)C1=CC=C(C=NC2=CC=C(C3=CSC(COC4=CC=CC=C4)=N3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C=C(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(C)C1(C2CCCC2)NC(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC4(O)CC3OC4(C)OC)C(O)=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C(=NNC(=O)CC2=CNC3=CC=CC=C23)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NCN3C(=O)C4=CC=CC=C4C3=O)C=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1(C(=O)OC)CCCC2=NOC3CCC1C23", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C1C3=CC=CC=C3CN1CC2;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(S(=O)(=O)NC2=NC(N)=NC(N(C)C)=N2)=C(SC(C(=O)O)C2=CC=CC=C2)C=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(C=NN1CCCCCCCCCCCC1)=C(O)C4=C3C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C12C=CC(C(=O)OC)(CC1)N1C(=O)N(C3=CC=CC=C3)C(=O)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=C2N=S=NC2=C(Br)C2=NSN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2NC(N)=C(C#N)C3=C2C(C)CCC3)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC23C=CC(=O)NCCCCNCCCNC(=O)C=CC4=CC=C(OC2C1)C3=C4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C=C1C(CCCOCC2=CC=CC=C2)C2CCCC23CC2(CCN13)OCCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C[Sn](CC2=CC=CC=C2)(OC2=CC=CC3=CC=CN=C23)OC2=CC=CC3=CC=CN=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2OC3=C(C)C=CC(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)=C3N=C2C(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)=C(N)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(N=NC2=CC=C(O)C(C(=O)O)=C2)C=C1)NC1=CC=C(N=NC2=CC=C(O)C(C(=O)O)=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC([N+](=O)[O-])=C1SC1=NCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=CC=CC=C1)NN=C(C1=NC2=CC=C([N+](=O)[O-])C=C2N=C1O)C(O)C1=CC=C(C(O)C(=NNC(=O)CC2=CC=CC=C2)C2=NC3=CC=C([N+](=O)[O-])C=C3N=C2O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CN2COC(=S)SSSSC(=S)OCN3CC(C)N(COC(=S)SSSSC(=S)OCN1CC2C)CC3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=CC=C(NC2=CC(=O)N(C)C(SCC3=CC=CC=C3)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N[Pt-2](N)([N+]1=CSC=C1)[N+]1=CSC=C1;O=[N+]([O-])[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C1=CC(CNCCC2=CNC=N2)=NC(CNCCC2=CNC=N2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC=C2C(C#N)=C3C=CC=CN3C(=O)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC23CC(C)(C)C4=C2C(=CC=C4)OCC2=CC=C4C=CC5=CC=C(COC6=CC=CC1=C63)N=C5C4=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2NCCCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(OC(C)=O)CC2CC3(C)C(OC(C)=O)CC(C)(C)C3C12O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2=CC(O)=C(C3=CC=C4C=CC=CC4=N3)C(O)=N2)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)C2=C(C3CCCCC3)C(C(=CC3CCCCC3)[N+](=O)[O-])=CN2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCNC(C)(C)C(SSSC(C1=CC=CS1)C(C)(C)NCCCC)C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1C(=O)NC(CCC2=CC=CC=C2)NC1=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(C)=C(OC3=C(Cl)C(Cl)=C(O)C(C#N)=C3C#N)OC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC(Cl)=CC=C2N=C(NC2CCCC2)C2CSCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=O)C(C3=CC=C(OC)C(OC)=C3OCC3=CC=CC=C3)=COC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(NC2(C3=NN=NN3C3CCCCC3)CCNCC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C#CCCOC1(OC)N=NC(C)(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C=C(N2CCN(C3=CC(C)(C)NC(C)(C)C3)CC2)CC(C)(C)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C2COCCOCCOCCOCCOCCOCCOCC2=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(O)C=C(O)C=C2OC12C1=C3OC(C4=CC=C(O)C=C4)C(O)CC3=C(O)C=C1OC2C1=CC=C(O)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC2(C3C=CN(C(=O)C(F)(F)F)C=C3)C3=CC=CC=C3N(C(=O)C(F)(F)F)C2N1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC([N+](=O)[O-])=C1SC1=NN=NN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCSC1CCSC2=C1C=CC1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(C(O)C1=CC=C2OCOC2=C1)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C2C=CC=C1CSCC1=CC=CC(=C1C)CSC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC=C(N=C(NCC(=O)O)NC2=CC=C3C=CC=CC3=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN(C)C(=S)N2C1=NC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(SCC(=O)O)=[N+]1CCCCC1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC2=CC=CC=C2C2=NC(C3=CC=CC=C3)=CC(C3=CC=CC=C3)=C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC(O)(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2=C(C3=CC=CC=C3)C=C(C3=CC=C4C=CC=CC4=C3)N=C2C2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2CS(=O)(=O)CC2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=CC=C(S(=O)(=O)O)C=C2)C(=NNC(N)=S)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(=O)CC2CCC3C4CCC(OC(=O)C5=CC=CC6=C5NC5=CC=CC=C5C6=O)C4(C)CCC3C12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NC(C2=CC=CC=C2)=NC(CC2=CC=CC=C2)(C2=CC=CC=C2)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(N=N1)C1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(CCCCC2)C2CCCCC12O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)OC2C3C=CC2C2CSCC32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=NC([N+](=O)[O-])=C1SC1=NC2=CC=CC=C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2CC(C)=C(CCC3(C)CCC(C(C)C(=O)O)OO3)C(C)(C)C2CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)OC(=O)C1CCC(=S)N1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(CC(O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=NC(CNC(=O)C2=CC=CC3=CC=CC=C23)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CCCN1C(=O)C1CC2=C(NC3=CC=CC=C23)C(C=C(C)C)N1C(=O)OC(C)(C)C(Cl)(Cl)Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[Sn](C)(Cl)Cl;OC1=CC=CC=C1C=NCCN=CC1=CC=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C(C#N)C(=O)NC(=N)C1C(N)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)C(=O)C(C1=CC=C(C2=CSC=N2)C=C1)C1=CC=C(C2=CSC=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1NC(=O)C(=C)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=S)NC2=CC=C(Cl)C(C(=O)OC3CCCC3)=C2)C=CO1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1OC(CS(=O)(=O)O)C(O)C(O)C1O;COC1OC(CS(=O)(=O)O)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(N)CC1=CNC=N1)C(=O)NC(CS)C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH]23CC[PH]4(C5=CC=CC=C5)CC[PH](C5=CC=CC=C5)(C5=CC=CC=C5)[Pt-2]24[PH](C2=CC=CC=C2)(C2=CC=CC=C2)CC3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)CCC(NC(=O)C1=CC=C(N2N=C3C=CC(=O)C=C3NC2=O)C=C1)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2OC(C(=O)C3=CC=CC=C3)C3OC(C)(C)OC3C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CCC(=O)NCCCCC(NC(=O)C(N)CC(=O)O)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(NC(=O)C1=CC=CS1)C1=NCCN1;I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(NC2=CC=CC=C2)NCCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C)C1CC(=O)C2(C)CC3OC3(C)CCC=C(C)CCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C1NC2NC3NC(=O)NC3NC2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C2=NC3=CC=CC=C3C(=O)N2C2=CC=CC=C2)C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=S)NN=C1CN(C2=CC=C(Cl)C(Cl)=C2)CC(=O)C1C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1CCCC1=O)C1CCCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1=CC2=C(C3=CC=CC=C3C2)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=NN=C(CC)N1N1C(=O)CCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1CC2=C(C3=CC=CC=C3N2)C2CCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=CO1)C1=CC=CC(C(=O)C=CC2=CC=CO2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CN=CN2N=C(C)N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(C2=CC=CC=C2)SC(=N)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C(=CC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)SC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(NC2CC2)=C2N=CN(C3C=CC(CO)CC3)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2(O)C3=CC=CC=C3C(=O)N2N2CCCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C)C(N2CC(=NNC(=O)CC#N)C(C3=NC4=CC=CC=C4S3)C(=O)C2=O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=C1N=C(N(C)N=CC2=CC=CC=C2)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)SC(NC2=CC=CC3=CC=CC=C23)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(NC1=NC=CC=N1)(OC1=CC=CC=C1)OC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC([N+](=O)[O-])=CC=C1NC(=O)C(=O)C(C(=O)C1=CC=C2C=CC=CC2=C1)C1OCC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(COC1=CC=C(Cl)C=C1)OC1CN2CCC1CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC1=C3C(=CC(OC)=C1OC1=C(O)C(OC)=CC4=C1C(CC(C)C)N(C)CC4)CCN(C)C3CC(C)C)C(CC(C)C)N(C)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CC2C3=CC(OC)=C(OC)C(OC)=C3CC[N+]2(C)C)C=C1OC1=CC=C(CC2C3=CC4=C(OCO4)C(OC)=C3CCN2C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CC1CNC(=N)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C2CC(C)(C)C3=C2C2=CC=CC=C2N3C)=CC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1(C2=CC=CC=C2)C(C2=CC=CC=C2)CC(O)(C2=CC=CC=C2)C(C(=O)C2=CC=CC=C2)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(NC(=O)C(F)(F)F)SC2=C1C1=CC=CC=C1OC1=C2C(=O)C2=CC=CC=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN(C)N=C1NC(C)=CC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)C2(C)NC3=CC=CC=C3C2=C(C2=CC=CC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[PH]1(C)CC[PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Ni-2]1([ClH+])[ClH+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN=C(NS(=O)(=O)C2=CC=C(N=NC3=C(N)N(C)C(=O)N(C)C3=O)C=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C(C2=CC=CC=C2)C(=O)NO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C(Br)CC2(OC(COCC3=CC=CC=C3)C(COCC3=CC=CC=C3)O2)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C12CSCN1C(=O)C(C(C)=O)=NN2C(=O)C(OC)(C1=CC=CC=C1)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2=NN3C(=O)N(C4=CC=C(Cl)C=C4)C(=O)N=C3S2)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)N2C3C=CC(C3)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N(C2=CC=C(C#N)C=C2)C2=CC=C(C#N)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;O=C(CCCN1CCC2(CC1)NC(=O)C1=CC=CC=C1O2)C1=CC=C(F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(C)C1=C(C(=O)C2=CC=C(C)N=C2)C2=CC=CC=C2N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC12OC3=C(CC1CC1=C(CCC1=O)O2)C(=O)CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1C[N+]23CCC[N+]4(C1)CC[S-]1[Fe+2]24([SH+]CC3)[S-]2CC[N+]34CCC[N+]5(CCC3)CC[SH+][Fe+2]1254", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(SCCS2)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C2OC(=O)C(C(=O)O)=CC2=C1)OC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=CN=NC3=C4C=CC=CC4=NN23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC1=NC(SC)=NC2=C1S(=O)(O)=NC=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CCC1=C(O)C=C(O)C2=C1OC(C1=CC3=C(C=C1O)OC(C1=CC=C(O)C=C1)C3C1=CC(O)=CC(O)=C1)CC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C2=C(CCCC2)C1=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "ClC1=CC=C2SC3=CC=CC=C3N(CCCN3CCCC34CCCCC4)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C2N=C(O)C(C(=O)OCC)=C2N=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1C(C2=CC=CC=C2)[OH+][B-](C2=CC=CC=C2)(C2=CC=CC=C2)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([PH]([Au-][N+]2=C[N-]C=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CN(C2OC(CC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C(O)C2O)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NC(=O)C1=CN(CCN2CCNCC2)C(=O)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(=O)N(N(C)C)C2(C#N)C(=O)NC(=N)C12C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2=CC(C3=CC=NC=C3)=CC(C3=CC=NC=C3)=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=C(C(OC)=C1OC)C1CCCCCC1CCC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2[Se]N1C1=CC=CN=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)N2C3=CC=CC=C3N3C(C4=CC=CC=C4)=CC(OC)=C3C2(C)C(C(=O)OC)=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(C2=NCCN2)C=C1)C1CCC(C(=O)NC2=CC=C(C3=NCCN3)C=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(C(=O)C3=CC=CC=C3C2=O)N1C1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(N)SC(=S)C2=C1CCCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=CC=CC=C2C(=O)NC12CCN(CC1COC3=CC=CC=C3O1)CC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(O)C2=CC=CC=C2S(=O)(=O)N1C;COC(=O)C1=C(O)C2=CC=CC=C2S(=O)(=O)N1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN(C(=S)N(C)C(=O)C2=CC=CO2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1SCCS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CC(C(O)C1=CC=CC=C1)S(=O)(=O)C1=NC=CN1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C=C2CC3=C4C2=CC=C([N+](=O)[O-])C4=CC=C3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC=C(C=C(NC(=O)C2=CC=CC=C2)C(=O)NNS(=O)(=O)C2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C1=CC(N=NC2=CC=C(O)C3=NC=CC=C23)=CC=C1CCC1=CC=C(N=NC2=CC=C(O)C3=NC=CC=C23)C=C1S(=O)(=O)O;[NaH]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2C3CC(C12)C1C3N1S(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=N)C12C(=N)NC(OC)(OC)C1(C#N)C21C(=O)N(C2=CC=CC=C2)N=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(=O)OC2(C)OCC(C)C(O)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N=C2N=C(NC3=CC=CC=C3)SS2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NC2(CCCCCC2)NN1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)N(OC2CCCCO2)C(C2=CC=CC=C2)[C-](C2=CC=CC=C2)[N+]1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(C=CC2=CC=CC=C2)C(=O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=[Se])N1CCCCCC1)C1=CC=CC=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC2=C(CC3(CCCCC3)C2)C(=O)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)C2C1C1C(=O)C3=CC=CC=C3C(=O)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NOCC1=NNC1=CC=C(C(C)=NC2C3CC4CC(C3)CC2C4)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC12CN3C4C3C1C1(CCC42)C(=O)N(COCC[Si](C)(C)C)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CN(CC)C2=CC3=C(C=C2C1=O)SCS3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)NN=C1CCC(CC2CCCCC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Zn-2]1([O+]=C2)[O+]=CC2=CC=CC(OC)=C2[OH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC(O)=NC2=C1C(NCCCN(C)C)C1=CC(Cl)=CC=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)C2C(C)C(=O)C3C(C)(C(=O)C45OC(=O)CC3(C)C4(C)CCC34CC(C)CC(CN35)O4)C2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(OCC1=CC=CC=C1)C(NC(=O)C1CSSCC(NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC2=CC=CC=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC2=CN(C=O)C3=CC=CC=C23)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)NC(C(C)OCC2=CC=CC=C2)C(=O)N1)C(N)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CCC(O)C=CC(=O)OC(C)C(O)C=CC(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1=CC(C(O)C2=CC=C3OCOC3=C2)=C2C=CC=CC2=C1;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)C1=CC=CC(C(C)C)=C1NC(=O)C(=O)C1SC(=S)NC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1C2=CC=C(Cl)C=C2CC(SSC2CC3=CC(Cl)=CC=C3S(=O)C3=CC=CC=C32)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)N(NC(=N)OC2=CC=C(Cl)C=C2)C(=N)OC2=CC=C(Cl)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(SSC(=S)NC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C2OC(C)(C)CC2=C1C1OC(C)C(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C#CC1(O)CCC2C3CCC4=CC(OC5=NC(F)=NC(C6=C7C=C8C=CC=CC8=CC7=C7SCCN76)=N5)=CC=C4C3CCC21C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2=CC=CC=C2)C(NN=C2CCCNC2=O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCC1=CNC2=CC=CC=C12)C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(Cl)OCC2(CO1)COP(=O)(Cl)OC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC(O)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)NC(=O)C1=CC=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2[SH+][Pb]3([SH+]C2=C1)[SH+]C1=CC=CC=C1[SH+]3;[Na+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OCCCCCCCCCCCOC1=CC=C(C2OCC3(CO2)COC(C2=CC=C(OCCCCCCCCCCCO)C=C2)OC3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=CC1=CC=CC=C1)C1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1C(CN2N=NC(C3=CC=CC=C3)=C2C2=CC=CC=C2)OCOC(CN2N=NC(C3=CC=CC=C3)=C2C2=CC=CC=C2)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)CC1CCC(=O)CCC(=O)OC(CC(C)=O)CCC(=O)CCC(=O)O1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C)C(=O)C23C(CCCCC12)C(=O)C(C(=O)OC)C3C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C(C2=NC=C3C=C(C4=CC=CC(C5=CC6=CN=C(C7=CC=C(N)C=C7)N=C6C6=CC=CC=C56)=C4)C4=CC=CC=C4C3=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)N1C(=O)[N-][N+](=C(C(C2=CC=CC=C2)=[N+]2[N-]C(=O)N(C(C)(C)C)C2=O)C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(CC1=CC=CC=C1)NC(=O)C12CCCCC1C=CC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=NC2=CC(Cl)=CC=C2C2=C1C=NCCN2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CCN1CCCN2C(=S)NC3=C2C(=CC=C3)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC(O)=NC(SC2=NC(N)CC(O)C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC(Cl)=CC2CCCN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(OC)=CC(N2C(N)=C(C3=NC4=CC=CC=C4N3C)C3=CC=C([N+](=O)[O-])C=C3C2=O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CC2(N3CCCC3)CCCCC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)N(CCC2=CC=C(Cl)C=C2)C2=C1S(=O)(=O)C(C#N)C(C1=CC=CC=C1)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(COC2=CC=C(C[P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C=C2)C=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=C(NC2=CC=CC=C2)C2=C1N(CC1=CC=CC=C1)N=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=C2C=CC=CC2=NC2=NC=CN=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C2=C(C(=O)N(NC(=S)NC3=CC=CC=C3)C2=O)C(N)=C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1[OH+][Zn-4]234([O+]=C(C5=CC=CS5)C=[N+]2C2=CC=CC=C12)[O+]=C(C1=CC=CS1)C=[N+]3C1=CC=CC=C1C(=O)[OH+]4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(N2CCOCC2)N=C(O)C(C(C2=C(O)N=C(N3CCOCC3)C(C(=O)OCC)=C2O)C(C)C)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CN(C(=O)C2=CC=CC=C2)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=S)N1CCCCCC1)C1=CC=CC(C(C)=NNC(=S)N2CCCCCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCCC[N+]1=CC=CC=C1)SC1=CC=CC=C1C(=O)NC1=CC=C(S(=O)(=O)C2=CC=C(NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])C=C2)C=C1;[Br-]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(N=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=NC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OC2OC(COC(=O)C3=CC=CC=C3)C(=O)C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=CC=C1C1=N[N+]2=CC3=CC=CC=[N+]3[Ni-4]234([OH+]1)[OH+]C(C1=CC=CC=C1O)=N[N+]3=CC1=CC=CC=[N+]14", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C(C1=CNC2=CC=CC=C12)N1CCN(CC2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COCC1OC(=O)C2=COC3=C2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1CCC2(C)C(=CCC3C(CC#N)C(C)(C#N)CCC32)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCC(C)CCCC1=C(O)C(=CC(=O)O)OC1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2(C3=CC=CC=C3)C3=C(C4=CC=CC=C4)SC(C4=CC=CC=C4)=C3C1(C1=CC=CC=C1)C1C(=O)N(C3=CC=CC=C3)C(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NN=C1C(=O)N(C2=NC=CS2)C(=O)C(=O)C1C1=NC2=CC=CC=C2S1)C1=CC=CC=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1C(=O)OC2C1CC1OC1(C)CCC=C(C)CCCC(C)C2OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(CN2CCC3(CC2)SSC2(CCN(CC4=CC=CC=C4)CC2)S3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CC2(C)CC1CC2(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=C2C=CC=CC2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=CC(=C[N+](=O)[O-])N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CCC2CC1C(C(=O)C1=CNC3=CC=CC=C13)=NC2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C(=O)NC2=CC=C3C=CC=CC3=C2)CC2(C)CC(C)(C1)C(O)NC2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCN1C=C[N+](C2=NC3=CC=CC=C3N2C)=C1;[I-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)=C2C3=C(C=CC2=N1)OC1=CC=CC=C1O3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=C(C(=O)N1CCCC1=O)S(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C=CC(C)C)N2C(=O)C3=C(N=CN3CC3=CC=CC=C3)N(C)C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)SC(=C2SC3=[NH+]C(O)=NC(O)=C3S2)S1;CCCC[N+](CCCC)(CCCC)CCCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC(=O)C(=NO)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OCC(COCOP2(=O)OC3=CC=C4C=CC=CC4=C3C3=C(C=CC4=CC=CC=C34)O2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(OC2=CC=CC=C2)OCC2SC(C3=CC=CC=C3)CC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[As]1(C2=CC=CC=C2)C2=CC=CC=C2OC2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1OC2=CC=C3C=CC=CC3=C2C=C1C1=NC(O)=C2C=CC=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2(C3C4=CC(OC)=C(OC)C=C4CCN3C)SCCCS2)C=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C)C(=O)C2=C(C=C3C4=CC=CC=C4C=CN23)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=C1SC(=CC(=O)OC)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2(CCC(O)(C3=CC=CC4=CC=CC=C34)C(C(=O)C3=CC=CC4=CC=CC=C34)C2)C(=O)C2=CC=CC=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NN=CC2=C([N+](=O)[O-])C(C3=CC=NC=C3)=C(C3=CC=NC=C3)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCC1=CC=NC2=NC(C3=CC=C4C=CC=CC4=C3)=CN12;I", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CO)C1=C(O)C(=O)C2=C(C=CC3=C2CCCC3(C)C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=C(C=CC2=CC=C([N+](=O)[O-])C=C2S(=O)(=O)O)C(S(=O)(=O)O)=C1)OCC1=CC=CC=C1;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C3C4=C(C5C1CCC5C1OCCO1)[Fe]234(C#[O+])(C#[O+])C#[O+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=C2CCN=C(C3=C4C=C5OCOC5=CC4=NO3)C2=CC2=C1OCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1(C2=CC=C(Cl)C=C2)C2=CC=CC=C2C2=NC3=CC=CC=C3CN21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)OC2=CC(OCC3=NC4=CC=CC=C4C(=O)O3)=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC=C1CN2CCC34C5=CC=CC=C5N(C)C35OCC4(C(=O)OC)C1CC25", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCNC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN(CCSC2=NN=C(C3=CC=C4C=CC=CC4=C3)C3=CC=CC=C23)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=CC=C(OC2=CC=CC(OC3=CC=CC=C3)=C2)C=C1C#N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(N=C3NN=CNN31)SC1=C2CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)[N+]([O-])=C2C=CC=CC2=[N+]1[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C1=CC=CC=C1)N1CN(C(=O)OCC2=CC=CC=C2)C(C)(C)CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=CC3=C(C=C2N1)C(=O)C1=CC=CN=C1N3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(C=NNC(=S)N2CCCC2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Br;CC1=CN2C=C(C3=CC=CS3)N=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=NCCNCCN=CC2=CC=CC=C2OCC2=NC(=CC=C2)COC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC(=O)N1CCN(C2=CC=CC=N2)CC1)N1CCN(C2=CC=CC=N2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "I;S=C(NNC1=NCCN1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2C=CC1C1C(=O)OC(=O)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NN(C(=O)OCC)C(=C(C1CCCCC1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=C(C=NC2=CC=CC=C2)OC(C2=C(O)C=CC3=CC=CC=C23)=C1C1=C(O)C=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN(C)C12C=CC=CC21CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2=C1C1C=CC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=NC(N)=NC(O)=C1CCCCCC1=C(O)N=C(N)N=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=C(C)C(=O)C2=C(N=C3C(OC(=O)C4=CC=CC=C4)CCN32)C1=N", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C2OC=CC2=C(OC)C2=C1OC=C(S(=O)(=O)NC(=O)NC1=CC=C(Cl)C=C1)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2N2OC3C4CCC(C4)C3C12C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)NC1=CN2C=CC(SC3=CC=CC=C3)=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C=C2CCC(C)C3C2=NN(C(C)=O)C3C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)[Si](C)(C)OC(C(=O)OC1C=CCCC1)C(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "BrC1=CC=C(N=NC2=CC=C3C=CC=CC3=N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C(C2OCC3CSCN32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=CC2=CC=C([N+](=O)[O-])C=C2)N(S(=O)(=O)C2=CC=CC=C2)C2=NC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2ON=C(C3=CC=NC=C3)C2C(=O)N1C1=CC=C(CC2=CC=C(N3C(=O)C4ON=C(C5=CC=NC=C5)C4C3=O)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)N2C(OCC2C2=CC=CC=C2)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CO1)N(C(=O)N1CCCCC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC(NC(=O)OC(C)(C)C)C(=O)NCP(=O)(OCC1=CC=C([N+](=O)[O-])C=C1)OCC1=CC=C([N+](=O)[O-])C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2(CN3CCC2CC3)C(=O)N1CN(CC1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC1=C(NC(=O)C(=O)CC(=O)C2=C(C)N=C(C3=CC=CN=C3)S2)C(CC)=CC(CC2=CC(CC)=C(NC(=O)C(=O)CC(=O)C3=C(C)N=C(C4=CC=CN=C4)S3)C(CC)=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OCOC2(CCCC2)C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCSC1=C(C(N)=O)C(C(N)=O)=C(NC2=NN(C3=CC=CC=C3)C(C3=CC=CC=C3)=N2)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12CCC(CC1)C(C)(C)NC(=N)S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(N=N1)N1N=C(Cl)C=CC1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC2=C1C(=O)C1=C(OC(C)(C)C(O)C1)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC=C(N=CC2=CC=CC3=CC=CN=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)C2=C1C=CS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P(O)(CC1=CC=CC=C1)OCC1(O)OCC(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)N1CC2CC(=O)OCC2C1CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(N=C1CC2C=CCN(C2)C(=O)CC2=C1NC1=CC=CC=C21)S(=O)(=O)C1=CC=C(C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=NC2=NN=C(C3=NN=C4N=C(CC(=O)C5=CC=CN=C5)C(=O)N43)N2C1=O)C1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(C2CCCO2)C(=O)C2=C(O)C=CC(O)=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(CCNC(=S)NC=CC2=NC3=CC=CC=C3N=C2O)C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NN=C(C2=CC=C3C=CC=CC3=C2)N1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C=NN=C1C1=NSC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N[Pt-2]1(NCCCCCN[Pt-2]2(N)[OH+]C(=O)CC(=O)[OH+]2)[OH+]C(=O)CC(=O)[OH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C(=O)OC)N(C(C)C)C2C(C(=O)OC)=C(C(=O)OC)N(C(C)C)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)P1(=S)OCC(C)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(C2=CC=CS2)SS1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N2CCN=C2C2=CC=CC=C2C1(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCC=CC1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)OCC2OC3OC(C)(C)OC3C(OS(C)(=O)=O)C2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(O1)C1=CC=CC3=C1N(CCC3)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=O)N2CCCCC3=CC=CC1=C32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2(CCN(CC3=CC=CC=C3)CC2)CC(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC1=NCCO1)C1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(CN3CCC(C4CCN(CC5=CC=CC6=CC=CC=C56)CC4)CC3)=CC=CC2=C1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCC(O)(OC(=O)C(C2=CC=CC=C2)C2(O)CCCC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N1C(C)C(C2=CC=CC=C2)OP1(=O)C=CCC1CC(=O)CCN1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CNC(=N)C1=CC=C(NC(=N)C2=CC=C(C(=N)NC3=CC=C(C(=N)NC)C=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)OC(=O)CC2C1=CC=C(OC)C(OC)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "I;O=C(NNC1=NCCCN1)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCC1=CC=CC=C1)C1=C(O)N=C2C=CC=CC2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1ON(C)CCC2=CC(OC)=C(OC)C=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC(=O)NC(=S)N1C1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=P1(C2=CC=CC=C2)NC2=CC=CC=C2N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C(C(=O)NC(=CC2=CC=C3OCOC3=C2)C2=NC3=C(O)N=C(S)N=C3N2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Ni-2]1(O)[S+]=C(N)[N-][N+]1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(=O)C2=C3C1=CC=C1C(=O)OC(=O)C(=C13)C=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)N1N=C(C2=CC=CC=C2)OC2(N3CCCC3)CCC(C(C)(C)C)CC12", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(NC(=O)C1=CC=CC=C1)(N1CCOCC1)C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCCCCCCCCCCC(=O)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C(C2COC(C3=CC=C4OCOC4=C3)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2SSC2=CC=CC=C2NS(=O)(=O)C2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N(C2OC(CF)C(O)C2O)C=C1N1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCCC(=O)NNC(=O)NC1=CC=C(N=NC2=CC=CC=C2)C=C1)NNC(=O)NC1=CC=C(N=NC2=CC=CC=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(N2C(=O)C3=C4CC(C(C)(C)C)CCC4=C4C(=C3C2=O)NC2=NC=CC=C24)C=C1", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(O)C(C(C2=CC=C(C(C3=CC(C)=CC=C3O)C3=CC(C)=CC=C3O)C=C2)C2=CC(C)=CC=C2O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC2=C1[OH+][Cu-3]1(O)[O+]=C(C3=CC=NC=C3)[N-][N+]1=C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(C2=CC=CC=C2)CS(=O)(=O)CS1(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(=O)NC2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(N)=O)CS2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=CN4C(=O)C5=CC=CC=C5N=C34)C=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC(=O)C1=CC=CN1CC1=CC=CC=C1SSC1=CC=CC=C1CN1C=CC=C1C(N)=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN=S(=O)(C1=CC=CC=C1)C1(C)CC(C)=C(C)CS1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C1=CC=CC=C1)C(C1=CC=CC=C1)C(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CN=CC=C2C=C2C3=CC=CC=C3C=CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(=NNC1=NCCN1)C1=C2C=CC=CC2=C(C=NNC2=NCCN2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=NN=C(C)N2C(C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C(=O)N(C3CCC(=O)NC3=O)C(=O)C1C1CCC2C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=CC=C(N=C2CCC(=C(C3=CC=CC=C3)C3=CC=C(NC4=CC=C(O)C=C4)C=C3)CC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C(=CC2=CC=C(C3=CC=CC=C3)C=C2)C(=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CN(C(C)=O)C(=O)N1C(=O)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=NN(CC1(O)OCC(O)C(O)C1O)C(CC1=CNC2=CC=CC=C12)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)N1CC1=CC=CC=C1C1=C2C=CC(=N2)C(C2=CC=CC=C2CN2C(=O)C3=CC=CC=C3C2=O)=C2C=CC(=C(C3=CC=CC=C3CN3C(=O)C4=CC=CC=C4C3=O)C3=NC(=C(C4=CC=CC=C4CN4C(=O)C5=CC=CC=C5C4=O)C4=CC=C1N4)C=C3)N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(N)N(C2CCCCC2)C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1COC(CCC(C)=CC2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N(C(C)C)[PH]12O[PH]3(N(C(C)C)C(C)C)O[PH](N(C(C)C)C(C)C)(O[PH](N(C(C)C)C(C)C)(O1)[Mo]3(C#[O+])(C#[O+])(C#[O+])C#[O+])[Mo]2(C#[O+])(C#[O+])(C#[O+])C#[O+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CSC(C2=CSC(CCN)=N2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1C2=C(NC(=S)N1C1=CC=C([N+](=O)[O-])C=C1)SC(NC1=CC=CC=C1)=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=C(Cl)C=C1)N(C(=S)N1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1(Cl)C2(Cl)C(Cl)=CC3(Cl)C(Cl)(C(=O)O)C2(Cl)C31Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(OCO1)C(=O)C1=CC=CC=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CCC(=O)C1C(OCC1=CC=CC=C1)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=NC(=NC3=CC=C(Cl)C=C3)[N+]3=CC=C4C=CC=CC4=C3C2=C([O-])N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NC(=N)C2=CN=NN2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2=NN(C)COC2C(F)(F)F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2=C(N=C3N(CCCCl)C(=O)CN32)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC(=O)NC1=CC=CC(C(=O)NC2=CC(C(C)(C)C)=CC=C2C(=O)O)=N1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1=C2C(=C(OC(C)=O)C3=C1N(C(C)=O)C1=CC=CC=C1N3C(C)=O)N(C(C)=O)C1=CC=CC=C1N2C(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1=CC2=C3OCOC3=CC=C2C2=CC=C3C=C4OCOC4=CC3=C21;O=[N+]([O-])O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N2CC(Br)C(Br)CN12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(NC(=O)CCC2=NN=C3SC(=CC=CC4=CC=CC=C4)C(=O)N23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)N(S(=O)(=O)C1=CC=C(C)C=C1)CC1C3=CC(O)=C(OCC4=CC=CC=C4)C=C3OC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=CC(C)=C1NC(=O)C1=NC(=S)NC(C2=CC=CC=C2)C1C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2=C3C=CC(=C(C4=CC=C(C)C=C4)C4=NC(=C(C5=CC=[N+]([Pd-2]([N+]6=CC=C(C7=C8C=CC(=C(C9=CC=C(C)C=C9)C9=NC(=C(C%10=CC=C(C)C=C%10)C%10=CC=C(N%10)C(C%10=CC=C(C)C=C%10)=C%10C=CC7=N%10)C=C9)N8)C=C6)([N+]6=CC=C(C7=C8C=CC(=C(C9=CC=C(C)C=C9)C9=NC(=C(C%10=CC=C(C)C=C%10)C%10=CC=C(N%10)C(C%10=CC=C(C)C=C%10)=C%10C=CC7=N%10)C=C9)N8)C=C6)[N+]6=CC=C(C7=C8C=CC(=C(C9=CC=C(C)C=C9)C9=NC(=C(C%10=CC=C(C)C=C%10)C%10=CC=C(N%10)C(C%10=CC=C(C)C=C%10)=C%10C=CC7=N%10)C=C9)N8)C=C6)C=C5)C5=CC=C(N5)C(C5=CC=C(C)C=C5)=C5C=CC2=N5)C=C4)N3)C=C1;O=S(=O)([O-])C(F)(F)F", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C2C(=NC(=O)N(OS(=O)(=O)C3=CC=CC=C3)C2=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN(C)C=C1P(=S)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC(=O)C2=C(S1)C1=CC=CC=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C3C(=CC([N+](=O)[O-])=CC3=CC=C2)C(=O)N1CC1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(CC1CCCS(=O)(=O)C1)S(=O)(=O)C1=CC=C(C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;C[N+]1=C2C=CC=CN2C=C1COC1=CC=C(C=NN2CCN(N=CC3=CC=C(OCC4=CN5C=CC=CC5=[N+]4C)C=C3)CC2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCC1NC(=N)N2CCCC2=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=NNC(=O)C1=CC=CC=C1O)C1=C(O)C=C(C)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=C2C(=NNC(N)=O)CCCC2=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOP(=O)(OCC)OC1=C(OC)C2=C(C=C(C(=O)OC)N2)C2=C1NC=C2C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=CC(C2=CC=C(N3C=CN=C3)C=C2)=NN1CCO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=NNC(=N)N)C(C2=CC=C(OC)C=C2)C2OC(=O)C3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1NN(C2=CC=CC=C2)C2(O)C3=CC=NC=C3C3=NN(C4=CC=CC=C4)C(=O)C132", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C3C4=CC=CC=C4SC4=CC=CC=C34)C3=CC=CC=C3SC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2[SH+][Ge+]([SH+]C3=CC=CC=C3[SH+][Ge+]3[SH+]C4=CC=CC=C4[SH+]3)[SH+]C2=C1;[Na+]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC12C3=CC=CC=C3C(C3=CC=CC=C31)C1C(=O)N(C3=CC=CC=N3)C(=O)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)CCC1C2CCC2(C)C(=NOCCN3CCCC3)CCC12;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2CN(C(=O)C3=CC=CC=C3)N=C(C3=CC=CC=C3)O2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)CCSC(C=CC2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NN1C(CC2=CC=CC=C2)=NN=C1CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C(C=CC2=CC=C(NC(=O)C3=CC(S(=O)(=O)O)=C4C=CC=NC4=C3O)C=C2S(=O)(=O)O)C(S(=O)(=O)O)=C1;[NaH]", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;NC(CSSCC(N)CC1=CC=CC=C1)CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12OC(=O)C(C#N)C1(C)C1C(=O)CCCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC(C(=O)C1=CSC=C1)C1=CC=CS1)C1=CC=CS1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CCCC2(C)OC2C2OC(=O)C(C)C2CC1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=NC(C2=CC=CC=C2)=NC2=C1N=C(C1=CC=CS1)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C(=NNC(=O)C(=O)NN)C(=O)NC12CC3CC(CC(C3)C1)C2)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(CCCN2CCOCC2)N=C2CSC3=C4C=CC=CC4=CC=C3N21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(Cl)C(=O)C2=C(O1)N(C1=CC=CC=C1)N=C2C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC3=C(C=C2N=C2C=C(C4=CC=CC=C4)C4=CC(Cl)=CC=C4N12)N=C1C=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2N1C3=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)N(C2CC(O)C(CO)O2)C2=NC3=CC=C4C=CC=CC4=C3N=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CSC1=N[N+]2=CC(C3=CC=CC=C3)=[N+]3N=C(NCCC4=CNC=N4)[SH+][Ni-2]23[SH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCC1N(CC2=CC=C(Cl)C=C2)CCCN1CC1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-][N+]1=C2C(=[O+][Cu-3]13[O+]=C1NC4=CC=CC=C4C1=[N+]3[O-])NC1=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)NC1=CC=C(SC2=NN=C(NC(C)=O)S2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C1CCCCCCCCCCC1S(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)N1CC(=O)N2CSCC2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(=CN1CCNC1=S)C(=O)C1=CC=C2C=CC=CC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)C2=CC=CC=C2C(O)(C2=CC=CC=C2)C2=CC3=CC=CC=C3N21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1CC2C3C(=NNC4=CC=C([N+](=O)[O-])C=C4[N+](=O)[O-])CCC2(C)C3C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)OC1=CC3=C(C=C12)N1N=NN=C1C1=CC=CN31", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=CC=C1NC(=O)C1=C(C)NC(C)=C(C(=O)NC2=CC=CC=C2OC)C1C1=CC=COC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)[OH+][Cu-5]2(O)(O)([O+]=C3N=CNC4=C3N2C=N4)[OH+]1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C=C(C=CC2=CC=NC3=CC=CC=C23)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(C=NN1C(C)CC(CC5=CC=CC=C5)CC1C)=C(O)C4=C3C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1OC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=C1C=CS2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(Cl)=C1SN(C(=O)OCC)N=C1C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "OC1=NN=C(CNC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "Cl;NC(CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)ON1C(=O)CCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC2=C(C(C)C)C(O)=C(O)C(C=O)=C2C(O)=C1C1=C(C)C=C2C(C(C)C)=C(O)C(O)=C(C=NC3=CC=CC=C3SSC3=CC=CC=C3N)C2=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CN(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCC3=CC=CC=C3)O2)C(=O)NC1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1C=COC2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(C=NOC(C1=CC=CC=C1)C1=CC=CC=C1)=C(O)C4=C3C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(C2=CC=CC=C2)OC1(Cl)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=CC2=CC=CC=C2)C2C(=CC3=CC=CC=C3)C(=O)C(=CC3=CC=CC=C3)C2C1=CC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(CCCN2CCN(C3=CC=CC(Cl)=C3)CC2)N=C2CSC3=C4C=CC=CC4=CC=C3N21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)CCOC(=O)C(CC1=CC=CC2=CC=CC=C12)CC1CCCO1;O=C(O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(NC(=O)C(=CC1=C(O)C=CC2=CC=CC=C12)NC(=O)C1=CC=CC=C1)C1=CN=NC(O)=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC(C(=O)C1=COC=C1)C1=CC=CO1)C1=CC=CO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)N=[N+]([O-])C1(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C2=C1SN=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C2=CC(OC)=C(Br)C(=O)O2)N2C=CC=CC2=C1C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN(CC)C(=O)C1=C(N2CCOCC2)C=C(N(CC)CC)OC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N=C1C=CN(C2OC(COP(=O)(O)O)C(O)OC2O)C(=O)N1;O=CO", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NN=C(COC2=CC=C(Cl)C=C2)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC(C)(C)C12CC3C(=O)NC(CC4=CC=CC=C4)C(=O)N3C1N(C(C)=O)C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(O)C2=C(SC(C)=C2C2=CC=CC=C2)N(S(=O)(=O)C2=CC=C(C)C=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC2=C(OCC3=CC=CC=C3)C(OC)=CC3=C2C(=N1)N(C1=CC=C(OC)C=C1)C(C)C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=C(Br)N(C2OC(CO)C(O)C2O)C2=C1C1=NC=CN1C=N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)O)C=C1;N=C(NO)NN=C=C1C(=O)NC2=CC=C(F)C=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(O)=C1CC2CN3CCC4=C(NC5=CC=CC=C45)C3CC2CC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N[Co-4](N)(N)(N)(N)[NH+]1N=NC(C2=[NH+]N=NN2)=N1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C=CC2=CC=C(OC)C(OC)=C2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCN1C=C(C(=O)O)C(=O)C2=CC3=C(C=C21)S(=O)(=O)CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC12CCCCC(CCCC1)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)CCC1(C2=CC=CC=C2)OC(=O)C(C#N)=C1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(C2=C(C3=CC(=O)C4=CC=CC=C4C3=O)C3=CC=CC=C3N2)C(=O)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC(C(=O)C1=CC=CC=C1F)C1=NC2=CC=CC=C2S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)CC1CCN(C(=O)C2=CC=CC=C2)C2CC3=C(NC4=CC=CC=C34)C12C[N+](=O)[O-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCC1=C(C(=O)OCC)NC(C2=CC=C(C3=C(C(=O)OCC)C(CCC)=C(C(=O)OCC)N3)O2)=C1C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCOC(=O)C1CC2OC2CC1C(=O)OCCCCOC(=O)C1CC2OC2CC1C(=O)OCCCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(N2N=C(C3=CC=CC=C3)N(C3=CC=CC=C3)C2=O)CSC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(=CC2=CC=C3OCCOC3=C2)CCCC1=CC1=CC=C2OCCOC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C#CC1=CC=CC(N2C(=O)C3=C(C2=O)C(C2=CC=CC=C2)=C(C2=CC=C(CC4=CC=C(C5=C(C6=CC=CC=C6)C6=C(C(=O)N(C7=CC=CC(C#C)=C7)C6=O)C(C6=CC=CC=C6)=C5C5=CC=CC=C5)C=C4)C=C2)C(C2=CC=CC=C2)=C3C2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)CC1NC(=O)C1C1(C)OCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(C2CCCCC2)C(=O)N1C1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C=C1C1=CC(=CC=C1O)CC1NCCC3=CC4=C(C=C31)OC1=C(O4)C(OC)=C(OC)C3=C1C(C2)N(C)CC3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=CC(N=NC2=CC(Cl)=C(S(=O)(=O)O)C=C2Cl)=C2C=C(S(=O)(=O)O)C=CC2=C1N=NC1=C(S(=O)(=O)O)C=C2C=C(NC(=O)C3=CC=C(N)C=C3)C=CC2=C1O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C2C(C1=O)C1C3=CC=CC=C3C=CN1C2C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(=O)NC2=O)C(CC=[N+]([O-])CC2OC(N3C=CC(=O)NC3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1NC1=NC=NC5=C1N=CN5C1OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O)NC1=CC=CC=C14)C32", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C(NC(=O)C1=CC=CC=C1)C(C)[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)C(C(C)(C)C2SC(=S)N(C)C2=O)SC1=S", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C(=O)C=CC1=CC=CC=C1)C1C2CN3CCC(O2)C13", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NS(=O)(=O)C1=NN=C(NSC2=CC=C([N+](=O)[O-])C=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC(=O)C2=C3CCCCCN3C=C2N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1CC2=C(NC3=CC=CC=C23)C2=C(CC(NC(C)=O)C(=O)NCC(=O)NCC(=O)N1)C1=CC=CC=C1N2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N=C3C4=CC=CC=C4N(C)C4=CC=CC=C34)C=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CCCS(=O)(=O)C1CC1S(=O)(=O)CCCS1(=O)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)C(=O)C2=CC=CC=C2)C(C)=C(C(=O)C(=O)C2=CC=CC=C2)C(C)=C1C(=O)C(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(O)C(=O)C2=C(OC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N(C2=CC=CC=C2)SN2C3C=CC(C4CC43)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)CCC1C=NOC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC2=C(CCCC2=O)N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1(OC)CC2C(=O)N(CC3=CC=CC=C3)C1C(S(=O)(=O)C1=CC=CC=C1)C2C(C)S(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=CC=C3C4=C(C=NO4)CCC3=C2C=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)CC(NC(=O)OCC2=CC=CC=C2)(SC2=CC=CC=C2)C(F)F)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1OC1CN1CCC(C2CCN(CC3CO3)CC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C2(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)=C(C)C=C1C1(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C2CC3C4CCC5(OCCO5)C5OC1=C2C45CCN3CC1CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)C(=O)C1=NN(C2=CC=C(Cl)C=C2C(=O)C2=CC=CC=C2)C(CNC(=O)CN)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC2=C(S(=O)(=O)C3=CC=CC=C3)CC(S(=O)(=O)C3=CC=CC=C3)(S(=O)(=O)C3=CC=CC=C3)CC21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COP(=O)(OC)C1=C2C(C)=NOC2=C2C=COC2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CCC1=NN=C2SC(=CC3=CC=C4OCOC4=C3)C(=O)N12)NC1=CC(Cl)=CC=C1Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(C2=CC(C)=C(Cl)C(O)=N2)C(O)=C(OC)C2=C1C=CO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=NS(=O)(=O)C2CCCCCCC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OCC1OC(OC2C(CSC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)OC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCN1C(=O)CNC(=O)C2=C1N=CN2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1C2=CC=CC=C2N=C(C2=CC=CC3=CC=CC=C23)CC1C1=CC=CC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NCCCNCCN1C(=O)C2=CC=CC3=CC([N+](=O)[O-])=CC(=C23)C1=O)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NC1=C(N2CCOCC2)C(Cl)=NC2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NNC(=O)C2C3C=CC(O3)C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCCCCCCCCCCCCCCCCCN1CN(CO)C(=O)N(CO)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NC1=CC2=C(N=C(C3=CC=C4C=CC=CC4=C3)CN2)C(N)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)OC1COC2OC3C(C(C=O)=CC(O)C4C5=C(C(C)C)CCC5(C)CCC34C)C2(O)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O-]C1=C2C=C([N+]3=C(C4=CC=CC=C4)C=C(C4=CC=CC=C4)C=C3C3=CC=CC=C3)C=C1COC(C1=CC=CC=C1)C(C1=CC=CC=C1)OCC1=CC=CC(=N1)COC(C1=CC=CC=C1)C(C1=CC=CC=C1)OC2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C(#CC1(NC2=CC=CC=C2)CCN(CC2=CC=CC=C2)CC1)C1(NC2=CC=CC=C2)CCN(CC2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C2C(=N)C3=CC=CC=C3N(CCCCCCCCN3C4=CC=CC=C4C(=N)C4=C(C)C=C(C)N=C43)C2=N1;Cl", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(C2=CC=CC=C2)=C2CSCC3=CC(=CC=C3)CSCC(=C1C1=CC=CC=C1)O2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC12C(=O)CC(CC1=O)C2(C)C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC2=CCC3C(CCC4(C)C(C(C)=O)CCC34)C2(C)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC(NC1=CC=C(F)C(Cl)=C1)(C(F)(F)F)C(F)(F)F)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OC1=CC=C(OC(OC2=CC=CC=C2)C2=CC=CC=C2)C=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C=C1SC2(OC1=NC1=CC=CC=C1)C1CC3CC(C1)CC2C3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)NN(C(=O)OCC)C(=C(C1=CC=CC=C1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CCC1=C(C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2O)OC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=CN=C3NC3=CC=CC(Cl)=C3)C=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC2(CC(OCC3=CC=CC=C3)C1OCC1=CC=CC=C1)OCCO2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[CH2-][Pd-2]1([CH2-])[PH](C2=CC=CC=C2)(C2=CC=CC=C2)CCC[PH]1(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1C(C2=CC=CC=C2)C2(C)OC(=O)C(C#N)C12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CCC(=O)N1CC1=CC=CC=C1N=[N+]([O-])C1=CC=CC=C1CN1C(=O)CCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=C(C(=O)NNC(=O)C[N+]2=CC=CC=C2)CC(C(=O)NNC(=O)C[N+]2=CC=CC=C2)=C(C)N1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=C(C3=CC=CC=C3CN2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=C(C)CC(C)(C1=CC2=CC=CC=C2N1C)N1CCOCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCNC1=NC2=C(S1)N(C)C(=O)N(C)C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "SCC1COCC(CS)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C3=[N+]4C(=NC5=C6C=CC=CC6=C6N=C7C8=CC=CC=C8C8=[N+]7[Cu-3]4(N56)N4C(=N3)C3=CC=CC=C3C4=N8)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1CCCCOCCOCCOCCOCCOCCCCCC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CC(N2CCOCC2)C2=C(O1)C1=C(CC2)N=C(C2=CC=CC=C2)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)C2CCC1(CS(=O)(=O)NC1=CC=CC=C1)C(=O)C2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC=C1)NC(CSSCC(NC(=O)NC1=CC=CC=C1)C(=O)O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CON1OC(=O)C2=CC=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(O)C2(O)OC3CC4(C=O)C(CC=C5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1N=C2C=CC(NC3=CC(O)=NC4=C3C3=NN(C)N=C3C=C4)=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(OCC2OC(N3C=CC(OC4=C(F)C(F)=C(F)C(F)=C4F)=NC3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(C2=CC=CC=C2)C2=CC=C(OC)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCC(OC(=O)C(O)(C2=CC=CC=C2)C2=CC=NS2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(C)NC(=N)NC(=N)N1C1=CC=CC(C=C(C#N)C2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=CC=C(NC(=O)C(CC2=CC=CC=N2)=NNC(=O)C[N+](C)(C)C)C=C1;[Cl-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(CC1=CC=CC=C1)NC(=O)NCCN(CCNC(=O)NC(CC1=CC=CC=C1)C(=O)OC)C(=O)NC(CC1=CC=CC=C1)C(=O)OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C=C(SSC(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "N#CC1=NC2=CC=CC=C2N=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C1=CC=C(OCCOC2=CC=C(NC3=CC=CC=C3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C=C(C(=O)C2=CC=CC=C2)C=C(C(=O)C2=CC=CC=C2)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C(CC1=CC=CC=C1)NCCN1CCCC1C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1=NN(C2=CC=C(NC(=S)NC3=CC=CC(O)=C3)C=C2)C=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=NC(NC(=N)NCCC2=CC=CC=C2)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)N=NC1=CC=C2NC(=O)NC2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[N-]=[N+]=NC1=C(C2=CC=CC=C2)C(=O)N(C2=CC=CC=C2)C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NN=C2C(=O)C3CC2C(Cl)C3Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "I;O=CSC(=NC1=CC=C(Cl)C=C1)NC(=O)COC1=CC=C(Cl)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C(Cl)=C2C=C3C(=NC4=CC=CN=C4N3C3CCCCC3)C=C2C2=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C(=CNC1=CC=CC(C)=N1)S(=O)(=O)C1=CC=C(C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2=C(C=NN2C2=CC=CC=C2)C(=O)N1OS(=O)(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NC1=CC=C(N=NC2=CC=CC=C2)C(N)=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC=CN=C1N1CCCCC1;O=S(=O)(O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(CC1=NC2C=CC=CC2N=C1)NCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C2=C(C=C(C3=CC=CC=C3)C1=O)COC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CSSCC(=O)NC1=CC=C(Br)C=C1)NC1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2=CC=CC=C2C(=O)N1CCCC[PH](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CSSCC(=O)OCCS(=O)(=O)NC1=CC=C(Br)C=C1)OCCS(=O)(=O)NC1=CC=C(Br)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)OC2C3=CC=CC=C3CC3=CC=CC=C32)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C=CC1(C)CC(=O)C(C(C)C=O)C12C(=O)OC1=CC=CC(C)=C1C2=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CN1CCOCC1)C1=CC=C2C(=C1)OC(=O)N2CCN1CCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(OCCOC(=O)C1=CC=C2C3=CC=CC=C3C3(SCCS3)C2=C1)C1=CC=C2C3=CC=CC=C3C3(SCCS3)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CC12CCC3(OO1)C(C)(C)CCCC3(C)O2)OC(=O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC(C)=C2CC3=C4C=CC=CC4=CC=C3OC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1N=C(NC2=CC=CC=C2)C(=NC2=CC=CC=C2)N1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=CC(C)=NC2=C1C(=O)N(C1=CC=CC=C1)C(=O)N2CCCCN1CCN(C2=NC=CC=N2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(NC1=NCCO1)C1=CSC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CC(=O)NC1=CC=C(NC(=O)CC(C)=NNC2=CC=CC=C2)CC1)=NNC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "[O+]#C[Mo]12(C#[O+])(C#[O+])[PH](C3=CC=CC=C3)(CC[AsH]1(C1=CC=CC=C1)C1=CC=CC=C1)CC[AsH]2(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C2OC3=C(C=CC=C3C3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(=O)C2O)C=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)SC2=CC(C(=S)N3CCC(CC4=CC=CC=C4)CC3)=CC=C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=CC=CC(C)CCCC1=COC=C1)CCCC(C)C=C1OC(=O)C(C)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(OC2=CC=C(C(=O)C3=CC=CC(C(=O)C4=CC=C(OC5=CC=C(C)C=C5)C=C4)=N3)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1C=CCC2C(=O)N(C3=CC=CC=C3)C(=O)C12)OCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCN(O)CCCSC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)CCC1(O)C1C=CC=CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(CC1=CC=CC=C1)C1(N(C)CC2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C[N+]1(CC2=CC=C([N+](=O)[O-])C=C2)CCC(CCCCCCCC2CC[N+](C)(CC3=CC=C([N+](=O)[O-])C=C3)CC2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)CCC1=CC3=CC4=C(N=C3N=C12)C1=CC=CC=C1CC4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1OC(OC2C(OC3=CC=C4C(=O)C(C5=CC=C(O)C(O)=C5O)=COC4=C3)OC(CO)C(O)C2O)C(O)C(O)C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(O)C1=CC=C2CCC3=CC4=CC5=C(N=C4N=C3C2=N1)C1=NC(C(=O)O)=CC=C1CC5;[KH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1CC2(C(=O)N1CN1CCCCC1)C1=CC=CC=C1C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)=CCC1=C(C2=CC=C(O)C=C2OC2OC(CO)C(O)C(O)C2O)OC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C)CCC(O)(CC1=CC=CC=C1)C1=CC=CO1;O=C(O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C=C(N2CCOCC2)N2C(=N1)C=CC1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=C(OC)CCC(C(C#N)=CC2=CC=C(OC)C(OC)=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1(N=NC2=CC=C(S(=O)(=O)NC3=NN=C(C)S3)C=C2)CCOC1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1C(=O)[C-]2C(=NO[N+]2=O)N(C)C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NN2C(=O)NC(C)=CC2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1SC2=C(S1)SC(=S)S2", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=NN(C2=CC=CC=C2)C(=O)C1=CNC(=S)C1=CC=CN=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2C(=C1)N=C1C3=CC=CC=C3NN21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C23OCN(C4=CC=CC=C4)C2(C2=CC=C(OC)C=C2)C2=CC=CC=C2N3C)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C2=CC(=S)N(C3=CC=CC=C3)C3=C2C(=N)N(C2=CC=CC=C2)C(=S)N3)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=NN1CCN=C1C1=CC=C([N+](=O)[O-])C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "NN1C(SCC(=O)NCC2=CC=CC=C2)=NC2=CC=CC=C2C1=O", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(CC1=CC=CC=C1)NC(=O)NC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C2C3=CC4=C(C=C3C(OC3OC5COC(C6=CC=CS6)OC5C(O)C3O)C3COC(=O)C23)OCO4)=CC(OC)=C1O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S1(=O)CC2C3C=CC(O3)C21", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "S=C1NC(C2=CC=CS2)N2C(=S)NC(C3=CC=CS3)N12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)CC2CCCN3C2=C(C#N)C2=CC=CC=C23)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C([P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=C([P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C3=CC=CC=C23)C=C1;[Br-]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC(C(=O)C2=COC=C2C(=O)C2=CC=C3OCOC3=C2)=CC(OC)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC1(C)NC2=CC(OC)=CC3=C2N1C(=O)CCS3", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CC(=O)NC1=CC=C(C)C(C)=C1)=NN(C1=CC=CC=C1)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CN=C(NP(=O)(NC2CCCCC2)NC2CCCCC2)N=C1NC1CCCCC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1(O)CN2C(=NC3=NC=CN=C32)S1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN(C1=CC=C(C=CC2=CC=CC=C2)C=C1)P1(=O)NCCCO1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C2OC3C=CC(=O)C(C)(O3)C2=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CCN(C2=NN=C(O)C3=C2N=NN3CC2=CC=CC=C2)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CN1CC=C(C2=CC=CN2C)CC1;O=C(O)C(=O)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC=C(C(=O)C=C2NC3=CC=CC=C3SC2=NCS(=O)(=O)C2=CC=C(C)C=C2)C=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=S(=O)(O)C(=NC1=CC=CC(CC2=CC=CC=C2)=C1)NC1=CC=CC(CC2=CC=CC=C2)=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC1=CC=C(C(=O)CC(=O)C2=CC=C3C=CC=CC3=N2)C(O)=C1OC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CCOC(=O)C1=C(C)C=C(C)N=C1S[Sn](Br)(Br)SC1=NC(C)=CC(C)=C1C(=O)OCC", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC2=CC3=C(C=C2O1)OCC1C2=CC4=C(C=C2OC31)OCO4", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(C)(C)[Si](C)(C)OC1(CCC2=CC=CC=C2OS(=O)(=O)C(F)(F)F)CCCC=C1COCC1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(O)C(=O)C=CC=CC2=CSC(=N2)C(C)NC(=O)CC2(CC1)S(=O)SC(=O)C2(C)O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(CC1=CC=C2OCOC2=C1)N(C)C(=O)C1=CCN(C)CC1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1C2CC3OC3CC2C(=O)N1CCCCCCN1C(=O)C2CC3OC3CC2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=C(C=CC3=C2C(=O)C2=CC=CC=C2C3=O)NC(C2=CC=NC=C2)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(=O)N(C2=CC=CC=C2)C(=O)O1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=CC=C1)C1C(C2=CC=CC=C2)SC(C2=CC=CC=C2)CC1(O)C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(C1=CC=C(Cl)C=C1)C1N=NCC1C1=CC=CC=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C(NC1=CC=CC([N+](=O)[O-])=C1)C1=C(O)N(C2=CC=CC([N+](=O)[O-])=C2)N=N1;[NaH]", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1CC(O[Ti](OC2CC(C)CC(C)(C)C2)(OC2CC(C)CC(C)(C)C2)OC2CC(C)CC(C)(C)C2)CC(C)(C)C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=C1NC2CC=CCC12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC(=O)C1=C(O)C2C3C4=CNC5=CC=CC(=C45)CC3C(C)(C)N2C1=O", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=CC(C)=C(S(=O)(O)=[OH+])C(C)=C1;N[S+]1CC2=NC3=CC=CC=C3N2C1C1=C(F)C=CC=C1F", "output": "Yes", "task": "property_prediction-hiv", "split": "test"}
+{"input": "C1=CC=C2C(=C1)C=C(C1NCCC3=C1N=CN3)C1=CC=CC=C12", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "CC1=NC2=CC=CC=C2C(N)=C1C1=CC(C)=C2C(C)=NC3=CC=CC=C3C2=N1", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "COC(=O)C1=C(C2=CC=CC=C2)ON2C(C)(C)COC12C", "output": "No", "task": "property_prediction-hiv", "split": "test"}
+{"input": "O=[N+]([O-])C1=CC=C([N+]2=CC=C3C=CC=CC3=C2)C([N+](=O)[O-])=C1", "output": "No", "task": "property_prediction-hiv", "split": "test"}