Canonicalized SMILES
stringlengths
1
282
Standardized SMILES
stringlengths
1
282
Canonicalized Taste
stringclasses
5 values
Original Labels
stringlengths
4
212
Source
stringclasses
6 values
COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
COC(=O)C(NC(=O)C(N)C(=O)O)C(=O)OC1C2(C)CCC(C2)C1(C)C
COC(=O)C(NC(=O)C(N)C(=O)O)C(=O)OC1C2(C)CCC(C2)C1(C)C
sweet
Sweet, Sweetness
chemtastes_db
O=C(O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1
O=C(O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1
sweet
Sweet, Sweetness
chemtastes_db
CCCCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
CCCCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
CCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
CCCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CC1=C(CCc2ccoc2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C)(C)C2CC1
CC1=C(CCc2ccoc2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C)(C)C2CC1
sweet
Sweet, Sweetness
chemtastes_db
O=C(O)CNC(=Nc1ccc2nonc2c1)NC1CCCCCCC1
O=C(O)CNC(=Nc1ccc2nonc2c1)NC1CCCCCCC1
sweet
Sweet, Sweetness
chemtastes_db
Cc1cccc(CNC(=Nc2ccc(C#N)cc2)NCC(=O)O)c1
Cc1cccc(CNC(=Nc2ccc(C#N)cc2)NCC(=O)O)c1
sweet
Sweet, Sweetness
chemtastes_db
Nc1cc([N+](=O)[O-])ccc1Br
Nc1cc([N+](=O)[O-])ccc1Br
sweet
Sweet, Sweetness
chemtastes_db
CCC(C)CC(C)NC(=O)C(N)CC(=O)O
CCC(C)CC(C)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCCCC(CC)NC(=O)C(N)CC(=O)O
CCCCC(CC)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCCCCCC(C)NC(=O)C(N)CC(=O)O
CCCCCCC(C)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCCCC(C)NC(=O)C(N)CC(=O)O
CCCCC(C)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCCCOS(N)(=O)=O
CCCCOS(N)(=O)=O
sweet
Sweet, Sweetness
chemtastes_db
O=C(O)CN=C(Nc1cc(Cl)cc(Cl)c1)NC(c1ccccc1)c1ccccc1
O=C(O)CN=C(Nc1cc(Cl)cc(Cl)c1)NC(c1ccccc1)c1ccccc1
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
ClC(Cl)Cl
ClC(Cl)Cl
sweet
Sweet, Sweetness
chemtastes_db
Nc1cc([N+](=O)[O-])ccc1Cl
Nc1cc([N+](=O)[O-])ccc1Cl
sweet
Sweet, Sweetness
chemtastes_db
COC(=O)C(CC(=O)CNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1
COC(=O)C(CC(=O)CNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(NC(=O)NCCC(=O)O)cc1
N#Cc1ccc(NC(=O)NCCC(=O)O)cc1
sweet
Sweet, Sweetness
chemtastes_db
O=S(=O)(O)NC1CCCCC1
O=S(=O)(O)NC1CCCCC1
sweet
Sweet, Sweetness
chemtastes_db
CC(=O)OCC1OC(OC2CCC3(C)C4CC(OC5OC(C)C(O)C(O)C5O)C5C(C6(C)CCC(C(C)(C)O)O6)CCC5(C)C4C(C)CC3C2(C)C)C(O)C1O
CC(=O)OCC1OC(OC2CCC3(C)C4CC(OC5OC(C)C(O)C(O)C5O)C5C(C6(C)CCC(C(C)(C)O)O6)CCC5(C)C4C(C)CC3C2(C)C)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(C)N
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(C)N
sweet
Sweet, Sweetness
chemtastes_db
CC(N)C(=O)O
CC(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
OCC(O)C(O)C(O)CO
OCC(O)C(O)C(O)CO
sweet
Sweet, Sweetness
chemtastes_db
NC(=O)CC(N)C(=O)O
NC(=O)CC(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CBr)OC(CBr)C(O)C2O)C(O)C(O)C1O
OCC1OC(OC2(CBr)OC(CBr)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(O)C(O)C(O)C1O
OCC1OC(O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
NC(=O)CCC(N)C(=O)O
NC(=O)CCC(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
NC(Cc1cnc[nH]1)C(=O)O
NC(Cc1cnc[nH]1)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=S)Nc1cnc(C#N)nc1
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=S)Nc1cnc(C#N)nc1
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2OC(C)=O)cc1O
COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2OC(C)=O)cc1O
sweet
Sweet, Sweetness
chemtastes_db
O=C(CO)CO
O=C(CO)CO
sweet
Sweet, Sweetness
chemtastes_db
CN(C)C(N)=O
CN(C)C(N)=O
sweet
Sweet, Sweetness
chemtastes_db
CCC(C)C(N)C(=O)O
CCC(C)C(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O
OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
CC(C)CC(N)C(=O)O
CC(C)CC(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2COC(O)(CO)C(O)C2O)C(O)C(O)C1O
OCC1OC(OC2COC(O)(CO)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
NCCCCC(N)C(=O)O
NCCCCC(N)C(=O)O
sweet
Sweet; Sweet/Bitter, Sweetness
chemtastes_db
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
OCC(O)C(O)C(O)C(O)CO
OCC(O)C(O)C(O)C(O)CO
sweet
Sweet, Sweetness
chemtastes_db
CSCCC(N)C(=O)O
CSCCC(N)C(=O)O
sweet
Sulphurous/Sweet; Sweet, Sweetness
chemtastes_db
CCCC(N)C(=O)O
CCCC(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
NC(Cc1ccccc1)C(=O)O
NC(Cc1ccccc1)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CC1OC(O)C(O)C(O)C1O
CC1OC(O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
NC(CO)C(=O)O
NC(CO)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
OCC1(O)OCC(O)C(O)C1O
OCC1(O)OCC(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
CC(O)C(N)C(=O)O
CC(O)C(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
NC(Cc1c[nH]c2ccccc12)C(=O)O
NC(Cc1c[nH]c2ccccc12)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
NC(Cc1ccc(O)cc1)C(=O)O
NC(Cc1ccc(O)cc1)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCOc1ccc(NC(N)=O)cc1
CCOc1ccc(NC(N)=O)cc1
sweet
Sweet, Sweetness
chemtastes_db
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C3
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C3
sweet
Sweet(4); Bitter, Sweetness
chemtastes_db
CC(C)C(N)C(=O)O
CC(C)C(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
OC1COC(O)C(O)C1O
OC1COC(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
CCC(N)C(=O)O
CCC(N)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
OCC(O)C(O)CO
OCC(O)C(O)CO
sweet
Sweet, Sweetness
chemtastes_db
CCOc1ccc([N+](=O)[O-])cc1N
CCOc1ccc([N+](=O)[O-])cc1N
sweet
Sweet, Sweetness
chemtastes_db
OCCO
OCCO
sweet
Sweet, Sweetness
chemtastes_db
Nc1cc([N+](=O)[O-])ccc1F
Nc1cc([N+](=O)[O-])ccc1F
sweet
Sweet, Sweetness
chemtastes_db
O=Cc1ccco1
O=Cc1ccco1
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
sweet
Tasteless; Sweet(3), Sweetness
chemtastes_db
CC(=CCO)CCC1=C(C=O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12C
CC(=CCO)CCC1=C(C=O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12C
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(O)(C2(OC3(CO)OC(CO)C(O)C3O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
OCC1OC(O)(C2(OC3(CO)OC(CO)C(O)C3O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
OCC(O)CO
OCC(O)CO
sweet
Sweet(2); Sweet/Astringent, Sweetness
chemtastes_db
NCC(=O)O
NCC(=O)O
sweet
Sweet(6); Non-sweet, Sweetness
chemtastes_db
N#Cc1ccc(NC(=O)NCC(=O)O)cc1
N#Cc1ccc(NC(=O)NCC(=O)O)cc1
sweet
Sweet, Sweetness
chemtastes_db
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
sweet
Sweet, Sweetness
chemtastes_db
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6CC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6CC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
sweet
Sweet, Sweetness
chemtastes_db
N=C(N)N
N=C(N)N
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(NC(=NC2CCCCCCC2)NCc2nnn[nH]2)cc1
N#Cc1ccc(NC(=NC2CCCCCCC2)NCc2nnn[nH]2)cc1
sweet
Sweet, Sweetness
chemtastes_db
CC(N=C(NCC(=O)O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
CC(N=C(NCC(=O)O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(NC(=NC2CCCCCCC2)NCC(=O)O)cc1
N#Cc1ccc(NC(=NC2CCCCCCC2)NCC(=O)O)cc1
sweet
Sweet, Sweetness
chemtastes_db
Cn1nnnc1NC(=Nc1ccc(C#N)cc1)NC1CCCCC1
Cn1nnnc1NC(=Nc1ccc(C#N)cc1)NC1CCCCC1
sweet
Sweet, Sweetness
chemtastes_db
Cn1nnnc1NC(=Nc1ccc(C#N)cc1)NC1CCCCCCC1
Cn1nnnc1NC(=Nc1ccc(C#N)cc1)NC1CCCCCCC1
sweet
Sweet, Sweetness
chemtastes_db
CC(NC(NCC(=O)O)Nc1ccc(C#N)cc1)c1ccccc1
CC(NC(NCC(=O)O)Nc1ccc(C#N)cc1)c1ccccc1
sweet
Sweet, Sweetness
chemtastes_db
CCCCCCCNC(CC(=O)O)C(=O)Nc1ccc(C#N)cc1
CCCCCCCNC(CC(=O)O)C(=O)Nc1ccc(C#N)cc1
sweet
Sweet, Sweetness
chemtastes_db
CC(C)=CCCC(C)(O)C1CCC(C)=CC1=O
CC(C)=CCCC(C)(O)C1CCC(C)=CC1=O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(CCC(=O)c2c(O)cc(OC3OCC(O)C(O)C3O)cc2O)cc1O
COc1ccc(CCC(=O)c2c(O)cc(OC3OCC(O)C(O)C3O)cc2O)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1O
COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1O
sweet
Sweet, Sweetness
chemtastes_db
CC1OC(OC2C(Oc3cc(O)c(C(=O)CCc4cccc(O)c4)c(O)c3)OC(CO)C(O)C2O)C(O)C(O)C1O
CC1OC(OC2C(Oc3cc(O)c(C(=O)CCc4cccc(O)c4)c(O)c3)OC(CO)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O
sweet
Sweet, Sweetness
chemtastes_db
CCOc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)cc2O)cc1O
CCOc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)cc2O)cc1O
sweet
Sweet, Sweetness
chemtastes_db
OCC(O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)CO
OCC(O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)CO
sweet
Sweet, Sweetness
chemtastes_db
Nc1cc([N+](=O)[O-])ccc1O
Nc1cc([N+](=O)[O-])ccc1O
sweet
Sweet, Sweetness
chemtastes_db
Nc1cc([N+](=O)[O-])ccc1I
Nc1cc([N+](=O)[O-])ccc1I
sweet
Sweet, Sweetness
chemtastes_db
CC(C)Oc1ccc([N+](=O)[O-])cc1N
CC(C)Oc1ccc([N+](=O)[O-])cc1N
sweet
Sweet, Sweetness
chemtastes_db
OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O
OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)C(O)CC12C
CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)C(O)CC12C
sweet
Sweet, Sweetness
chemtastes_db
Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)O2
Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)O2
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc2c(c1)OC1(O)COc3ccccc3C21
COc1ccc2c(c1)OC1(O)COc3ccccc3C21
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO
OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2C(CO)OC(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O
OCC1OC(OC2C(CO)OC(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2C(CO)OC(CO)(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O
OCC1OC(OC2C(CO)OC(CO)(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
CC(N)C(=O)OC(C)(C)C
CC(N)C(=O)OC(C)(C)C
sweet
Sweet, Sweetness
chemtastes_db
CCCCOC(=O)C(NC(=O)C(N)CC(=O)O)C(C)O
CCCCOC(=O)C(NC(=O)C(N)CC(=O)O)C(C)O
sweet
Sweet, Sweetness
chemtastes_db
CC(O)C(NC(=O)C(N)CC(=O)O)C(=O)OC1CCCCC1
CC(O)C(NC(=O)C(N)CC(=O)O)C(=O)OC1CCCCC1
sweet
Sweet, Sweetness
chemtastes_db
COC(=O)C(C)NC(=O)C(N)CC(=O)O
COC(=O)C(C)NC(=O)C(N)CC(=O)O
sweet
Sweet, Sweetness
chemtastes_db