smiles,Unsafe,Domain,Difficulty,Type,Task,Comment
C(CCl)Cl,TRUE,Materials,Hard,Advanced Reasoning,safety-prediction,Flammable Liquid
CC(C)CCC=O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC=O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(=O)C,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C1=CC=CC=C1,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C[N+](C)(C)CCO,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C(CN)CN,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCC=O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(=O)C(=O)C,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CNC,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCO,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CO,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCO,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C1=CC=NC=C1,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CSC,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CN(C)C,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C1CCC(C1)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCOCC,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C(=N)(N)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(C)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCCC(C=CC=CC=CC(CCCC(=O)O)O)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C[C@@H](CC1=CC=CC=C1)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CN(C)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CNN,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(Cl)(Cl)Cl,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CN,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C(=S)=S,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(C)Cl,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(C)I,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(C)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C=C(Cl)Cl,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C(CN)C(=O)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CSCCC(C(=O)O)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C1=CC=C(C=C1)CC(C(=O)O)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(CO)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(CO)(CO)CO,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCC(CO)(CO)CO,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
COC1=CC=CC=C1C2=CC=CC=C2,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCC(=O)OCC1=CC=CC=C1,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCC1=CC=C(C=C1)OC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCCCCCCCCCCCC(=O)OC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCOC(=O)CCC(=O)OCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(CC)CCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C1CCCCCCCC(=O)CCCCCC1,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC1=C(C2=CC=CC=C2C=C1)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC1=CC=CC2=CC3=CC=CC=C3C=C12,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCC(=O)OCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCCCCCCCCCCOC(=O)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCCCCCCCCCCCCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C[Si](CCC(F)(F)F)(Cl)Cl,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCC1CCCC(=O)O1,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCC(=O)CC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCCCCCCCCCCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CC(=O)OC(C)(C)CCCC(=C)C=C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
CCCCCCCCCCCCCCCCC(C)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
COC(=O)CCCCCCC(=O)OC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Flammable Liquid
C(C=O)Cl,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(CCl)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(C(=O)O)Cl,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
Cl,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
S,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C[N+]1(CCCC1C2=CN=CC=C2)[O-],TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCC=O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
O[As](O)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C=O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CN(C)C1=CC=CC=C1,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
OP(=O)(O)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(CCN)CN,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1=CN=C(C=N1)C(=O)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
OS(=O)(=O)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
O=S=O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC1=CC(=NC=C1)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(C(CF)O)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CNC(=O)CSP(=S)(OC)OC,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
COC(=O)OC(=O)OC,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(CC=O)CC=O,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(=N)(N)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CN(CCCl)CCCl,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
COP(=O)(N)SC,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C,TRUE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1=CC(=CC=C1C=O)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC(C(C(=O)O)N)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(CN)C(=O)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC(C)CC(C(=O)O)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(CCN)CC(C(=O)O)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CSCCC(C(=O)O)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(=O)(N)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC(C)C(C(=O)O)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC1CCCC2(C1(CCCC2)O)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CS(=O)(=O)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CNC1=CC=CC=C1C(=O)OC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCOC(=O)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCC=CCCCCCCCC(=O)OC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCOCCOCCOCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCCCCCCCC(=O)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCC(=O)OCCC(C)CCC=C(C)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCOC(=O)CCCCC(=O)OCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCC(=O)OC(C)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1C2=CC=CC=C2C3=CC4=CC=CC=C4C=C31,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C(CC(=O)O)CO,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC(=O)COC(=O)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCCCCCCCCCCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCOC(=O)C1=CC=CO1,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1C(=O)CC2=CC=CC=C21,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCO,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCCCCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCC1CCCC(=O)O1,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCOC=C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCC(=O)OCCCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC(CO)C1=CC=CC=C1,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCCCCO,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCCC(C)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1=CC=C2C(=C1)C=C(C=C2Cl)Cl,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=O)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCC1=NC(=NC(=N1)N)N,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC1CCC(C1)(C)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCOC(=O)CCCCC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
C1CCCCCOCCCCOC(=O)CCCC1,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
OCl,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC(=O)CC1=CC=C(C=C1)OC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCCCCCCCCCCCCC(=O)OC,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CCC(=O)C(=C)C,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent
CC(CO)OCC(C)O,FALSE,Materials,Hard,Advanced Reasoning,corrosion-prediction,Toxic Inhalent