Canonicalized SMILES
stringlengths 1
282
| Standardized SMILES
stringlengths 1
282
| Canonicalized Taste
stringclasses 5
values | Original Labels
stringlengths 4
212
| Source
stringclasses 6
values |
|---|---|---|---|---|
CC(C)OC(=O)C(C)CNC(=O)C(N)CC(=O)O | CC(C)OC(=O)C(C)CNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCC(C)OC(=O)CCNC(=O)C(N)CC(=O)O | CCC(C)OC(=O)CCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCCC(=O)OCC(NC(=O)C(N)CC(=O)O)C(=O)OC | CCCC(=O)OCC(NC(=O)C(N)CC(=O)O)C(=O)OC | sweet | Sweet, Sweetness | chemtastes_db |
CC(CNC(=O)C(N)CC(=O)O)C(=O)OC1CCCCC1 | CC(CNC(=O)C(N)CC(=O)O)C(=O)OC1CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
NC(CC(=O)O)C(=O)NCCC(=O)OC1CCCCC1 | NC(CC(=O)O)C(=O)NCCC(=O)OC1CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(CNC(=O)C(N)CC(=O)O)C(=O)OC1CCCC1 | CC(CNC(=O)C(N)CC(=O)O)C(=O)OC1CCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
NC(CC(=O)O)C(=O)NCCC(=O)OC1CCCC1 | NC(CC(=O)O)C(=O)NCCC(=O)OC1CCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
CCSCC(NC(=O)C(N)CC(=O)O)C(=O)OC | CCSCC(NC(=O)C(N)CC(=O)O)C(=O)OC | sweet | Sweet, Sweetness | chemtastes_db |
NC(CC(=O)O)C(=O)NCCCc1ccco1 | NC(CC(=O)O)C(=O)NCCCc1ccco1 | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(COC(C)(C)C)NC(=O)C(N)CC(=O)O | COC(=O)C(COC(C)(C)C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(CNC(=O)C(N)CC(=O)O)C(=O)OC(C)(C)C | CC(CNC(=O)C(N)CC(=O)O)C(=O)OC(C)(C)C | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)(C)OC(=O)CCNC(=O)C(N)CC(=O)O | CC(C)(C)OC(=O)CCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(CSC(C)(C)C)NC(=O)C(N)CC(=O)O | COC(=O)C(CSC(C)(C)C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)COC(=O)C(NC(=O)C(N)CC(=O)O)C(C)O | CC(C)COC(=O)C(NC(=O)C(N)CC(=O)O)C(C)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)COC(=O)C(CO)NC(=O)C(N)CC(=O)O | CC(C)COC(=O)C(CO)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCC(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)O | CCC(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)OC(=O)C(NC(=O)C(N)CC(=O)O)C(C)O | CC(C)OC(=O)C(NC(=O)C(N)CC(=O)O)C(C)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)OC(=O)C(CO)NC(=O)C(N)CC(=O)O | CC(C)OC(=O)C(CO)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCC(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)C | CCC(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)C | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)OC(=O)C(NC(=O)C(N)CC(=O)O)C(C)C | CC(C)OC(=O)C(NC(=O)C(N)CC(=O)O)C(C)C | sweet | Sweet, Sweetness | chemtastes_db |
CCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)OC(C)C | CCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)OC(C)C | sweet | Sweet, Sweetness | chemtastes_db |
CCCC(C)OC(=O)CCNC(=O)C(N)CC(=O)O | CCCC(C)OC(=O)CCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCC(CC)OC(=O)CCNC(=O)C(N)CC(=O)O | CCC(CC)OC(=O)CCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)OC(=O)CCNC(=O)C(N)CC(=O)O | CC(C)OC(=O)CCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCC(C)OC(=O)CC(C)NC(=O)C(N)CC(=O)O | CCC(C)OC(=O)CC(C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(CC(=O)OC1CCCCC1)NC(=O)C(N)CC(=O)O | CC(CC(=O)OC1CCCCC1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(N)CC(=O)O | COC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(CC(=O)OC(C)(C)C)NC(=O)C(N)CC(=O)O | CC(CC(=O)OC(C)(C)C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(CC(=O)OC(C)C)NC(=O)C(N)CC(=O)O | CC(CC(=O)OC(C)C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
NC(CC(=O)O)C(=O)NCCC1CCCCC1 | NC(CC(=O)O)C(=O)NCCC1CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
CCCCCCCNC(=O)C(N)CC(=O)O | CCCCCCCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCCCCCNC(=O)C(N)CC(=O)O | CCCCCCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCOC(=O)C(C)NC(=O)C(N)CC(=O)O | CCOC(=O)C(C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
NC(CC(=O)O)C(=O)NC(CO)Cc1ccccc1 | NC(CC(=O)O)C(=O)NC(CO)Cc1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)CNC(=O)C(N)CC(=O)O | COC(=O)CNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
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)CCNC(=O)C(N)CC(=O)O | COC(=O)CCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)CCCNC(=O)C(N)CC(=O)O | COC(=O)CCCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(NC(=O)C(N)CC(=O)O)C(=O)NC1CCCC1 | CC(NC(=O)C(N)CC(=O)O)C(=O)NC1CCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O | COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(Cc1ccc(F)cc1)NC(=O)C(N)CC(=O)O | CC(Cc1ccc(F)cc1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
NC(CC(=O)O)C(=O)NCCc1ccc(F)cc1 | NC(CC(=O)O)C(=O)NCCc1ccc(F)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
NC(CC(=O)O)C(=O)NCCc1ccc(O)cc1 | NC(CC(=O)O)C(=O)NCCc1ccc(O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(CCc1ccco1)NC(=O)C(N)CC(=O)O | CC(CCc1ccco1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(Br)c(N)c1 | N#Cc1ccc(Br)c(N)c1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(Cl)c(N)c1 | N#Cc1ccc(Cl)c(N)c1 | sweet | Sweet, Sweetness | chemtastes_db |
CCOc1ccc(C#N)cc1N | CCOc1ccc(C#N)cc1N | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C#N)cc1N | COc1ccc(C#N)cc1N | sweet | Sweet, Sweetness | chemtastes_db |
CC(Cc1ccccc1)NC(=O)C(N)CC(=O)O | CC(Cc1ccccc1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
NC(CC(=O)O)C(=O)NCCOc1ccccc1 | NC(CC(=O)O)C(=O)NCCOc1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(CCc1ccccc1)NC(=O)C(N)CC(=O)O | CC(CCc1ccccc1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCCOc1ccc(C#N)cc1N | CCCOc1ccc(C#N)cc1N | sweet | Sweet, Sweetness | chemtastes_db |
Nc1cccc(C(=O)O)c1 | Nc1cccc(C(=O)O)c1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1cccc(N)c1 | N#Cc1cccc(N)c1 | sweet | Sweet, Sweetness | chemtastes_db |
NC(=O)c1c(Br)cc(Br)c(C=CC(=O)O)c1Br | NC(=O)c1c(Br)cc(Br)c(C=CC(=O)O)c1Br | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(COc2ccccc2)cc1O | COc1ccc(COc2ccccc2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(COC(=O)c2ccccc2O)cc1O | COc1ccc(COC(=O)c2ccccc2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
O=C1C(O)C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C1O | O=C1C(O)C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1cc2c(cc1O)C1CCC3(C)CCCC3C1CC2 | COc1cc2c(cc1O)C1CCC3(C)CCCC3C1CC2 | sweet | Tasteless; Sweet(3), Sweetness | chemtastes_db |
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 | CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)CNC(=Nc1cccnc1)NCc1ccccc1 | O=C(O)CNC(=Nc1cccnc1)NCc1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(NC(=Nc1cnc2ccccc2c1)NCC(=O)O)c1ccccc1 | CC(NC(=Nc1cnc2ccccc2c1)NCC(=O)O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CO)OC(CO)C(Cl)C2O)C(O)C(O)C1O | OCC1OC(OC2(CO)OC(CO)C(Cl)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
COC(C)C1=CC=C(C)CC1 | COC(C)C1=CC=C(C)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
COC(C)C1=CCC(C)=CC1 | COC(C)C1=CCC(C)=CC1 | sweet | Sweet, Sweetness | chemtastes_db |
COC(C)C1CC=C(C)CC1 | COC(C)C1CC=C(C)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CBr)OC(CBr)C(Br)C2O)C(O)C(O)C1Br | OCC1OC(OC2(CBr)OC(CBr)C(Br)C2O)C(O)C(O)C1Br | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CCl)C(Cl)C2O)C(O)C(O)C1Cl | OCC1OC(OC2(CCl)OC(CCl)C(Cl)C2O)C(O)C(O)C1Cl | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CO)C(Cl)C2O)C(O)C(O)C1Cl | OCC1OC(OC2(CCl)OC(CO)C(Cl)C2O)C(O)C(O)C1Cl | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CBr)OC(CBr)C(O)C2O)C(O)C(O)C1Br | OCC1OC(OC2(CBr)OC(CBr)C(O)C2O)C(O)C(O)C1Br | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CCl)C(Br)C2O)C(O)C(O)C1Cl | OCC1OC(OC2(CCl)OC(CCl)C(Br)C2O)C(O)C(O)C1Cl | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CCl)C(I)C2O)C(O)C(O)C1Cl | OCC1OC(OC2(CCl)OC(CCl)C(I)C2O)C(O)C(O)C1Cl | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CF)OC(CF)C(O)C2O)C(O)C(O)C1F | OCC1OC(OC2(CF)OC(CF)C(O)C2O)C(O)C(O)C1F | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CI)OC(CI)C(O)C2O)C(O)C(O)C1I | OCC1OC(OC2(CI)OC(CI)C(O)C2O)C(O)C(O)C1I | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(CCl)(OC2OC(CO)C(Cl)C(O)C2O)C(O)C1O | OCC1OC(CCl)(OC2OC(CO)C(Cl)C(O)C2O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CO)OC(CCl)C(Cl)C2O)C(O)C(O)C1Cl | OCC1OC(OC2(CO)OC(CCl)C(Cl)C2O)C(O)C(O)C1Cl | sweet | Sweet, Sweetness | chemtastes_db |
OC1C(OC2(CCl)OC(CCl)C(O)C2O)OC(CCl)C(Cl)C1O | OC1C(OC2(CCl)OC(CCl)C(O)C2O)OC(CCl)C(Cl)C1O | sweet | Sweet(4); Intensely sweet(2), Sweetness | chemtastes_db |
OCC1OC(OC2(CO)OC(CCl)C(O)C2O)C(O)C(O)C1Cl | OCC1OC(OC2(CO)OC(CCl)C(O)C2O)C(O)C(O)C1Cl | sweet | Sweet, Sweetness | chemtastes_db |
COCC1OC(CO)(OC2OC(CO)C(OC)C(O)C2O)C(O)C1O | COCC1OC(CO)(OC2OC(CO)C(OC)C(O)C2O)C(O)C1O | sweet | Sweet; Less sweet, Sweetness | chemtastes_db |
COCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OC | COCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OC | sweet | Sweet; Less sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl | OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(CO)(OC2OC(CO)C(Cl)C(O)C2O)C(O)C1O | OCC1OC(CO)(OC2OC(CO)C(Cl)C(O)C2O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CBr)OC(CBr)C(Br)C2O)C(O)C(O)C1Cl | OCC1OC(OC2(CBr)OC(CBr)C(Br)C2O)C(O)C(O)C1Cl | sweet | Sweet, Sweetness | chemtastes_db |
O=C1NS(=O)(=O)c2cccc(Cl)c21 | O=C1NS(=O)(=O)c2cccc(Cl)c21 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCCC2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCCC2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCCCCC2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCCCCC2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC(c2ccccc2)c2ccccc2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NC(c2ccccc2)c2ccccc2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCC2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCC2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)Nc2cccc3ccccc23)cc1 | N#Cc1ccc(N=C(NCC(=O)O)Nc2cccc3ccccc23)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC(c2ccccc2)c2ccco2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NC(c2ccccc2)c2ccco2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(NC(=Nc1ccc(C#N)cc1)NCC(=O)O)C1CCCCC1 | CC(NC(=Nc1ccc(C#N)cc1)NCC(=O)O)C1CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NCC2CCCCC2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NCC2CCCCC2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NCc2ccccc2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NCc2ccccc2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(NC(=Nc1ccc(C#N)cc1)NCC(=O)O)c1ccccc1 | CC(NC(=Nc1ccc(C#N)cc1)NCC(=O)O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
COCC(NC(=Nc1ccc(C#N)cc1)NCC(=O)O)c1ccccc1 | COCC(NC(=Nc1ccc(C#N)cc1)NCC(=O)O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NCC23CC4CC(CC(C4)C2)C3)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NCC23CC4CC(CC(C4)C2)C3)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CN(NC(=Nc1ccc(C#N)cc1)NCC(=O)O)c1ccccc1 | CN(NC(=Nc1ccc(C#N)cc1)NCC(=O)O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCC2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCC2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)Nc2cccc(Cl)c2)cc1 | N#Cc1ccc(N=C(NCC(=O)O)Nc2cccc(Cl)c2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
Cc1cccc(NC(=Nc2ccc(C#N)cc2)NCC(=O)O)c1 | Cc1cccc(NC(=Nc2ccc(C#N)cc2)NCC(=O)O)c1 | sweet | Sweet, Sweetness | chemtastes_db |