Canonicalized SMILES
stringlengths 1
282
| Standardized SMILES
stringlengths 1
282
| Canonicalized Taste
stringclasses 5
values | Original Labels
stringlengths 4
212
| Source
stringclasses 6
values |
|---|---|---|---|---|
Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2 | Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2 | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)=CCCC(C)(O)C1CC(O)C(C)=CC1=O | CC(C)=CCCC(C)(O)C1CC(O)C(C)=CC1=O | sweet | Sweet, Sweetness | chemtastes_db |
CC(=O)OC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1 | CC(=O)OC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1 | sweet | Sweet, Sweetness | chemtastes_db |
OC1C(O)C(O)C(O)C(O)C1O | OC1C(O)C(O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
CON=C(C)C1CC=C(C=NO)CC1 | CON=C(C)C1CC=C(C=NO)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OC3CC4CCC3(CS2)C4(C)C)cc1O | COc1ccc(C2OC3CC4CCC3(CS2)C4(C)C)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C(=O)C=CC(=O)O)cc1 | COc1ccc(C(=O)C=CC(=O)O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1=CCC(C=NO)=CC1 | CC1=CCC(C=NO)=CC1 | sweet | Sweet, Sweetness | chemtastes_db |
COC(C)C1=CC=C(C=NO)CC1 | COC(C)C1=CC=C(C=NO)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
COC(C)C1=CCC(C=NO)=CC1 | COC(C)C1=CCC(C=NO)=CC1 | sweet | Sweet, Sweetness | chemtastes_db |
COc1c(O)cc2c(c1O)C(=O)C(OC(C)=O)C(c1ccc(O)cc1)O2 | COc1c(O)cc2c(c1O)C(=O)C(OC(C)=O)C(c1ccc(O)cc1)O2 | sweet | Sweet, Sweetness | chemtastes_db |
CCC(O)CO | CCC(O)CO | sweet | Sweetish, Sweetness | chemtastes_db |
CC(O)CO | CC(O)CO | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OCc3c(O)cccc3O2)cc1O | COc1ccc(C2OCc3c(O)cccc3O2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OCc3ccccc3O2)cc1O | COc1ccc(C2OCc3ccccc3O2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
CC1=CC=C(C)CC1 | CC1=CC=C(C)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CCl)C(Cl)C2O)C(O)C(O)C1O | OCC1OC(OC2(CCl)OC(CCl)C(Cl)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC(O)C1OCC(O)C1O | OCC(O)C1OCC(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OCC(O)C1O | OCC1OCC(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2COc3ccccc3O2)cc1O | COc1ccc(C2COc3ccccc3O2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CO)C(Cl)C2O)C(O)C(O)C1O | OCC1OC(OC2(CCl)OC(CO)C(Cl)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OCC(O)C(O)C1O | OCC1OCC(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1O | sweet | Sweet(7); Intensely sweet, Sweetness | chemtastes_db |
OC1C(CCl)OC(O)(CCl)C1O | OC1C(CCl)OC(O)(CCl)C1O | sweet | Sweet, Sweetness | chemtastes_db |
COCC1OC(COC)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O | COCC1OC(COC)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O | sweet | Sweet; Less sweet, Sweetness | chemtastes_db |
CSCC1OC(O)(CSC)C(O)C1O | CSCC1OC(O)(CSC)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
CC1(C(=O)O)CCCC2c3ccccc3C(C(=O)O)C21 | CC1(C(=O)O)CCCC2c3ccccc3C(C(=O)O)C21 | sweet | Sweet, Sweetness | chemtastes_db |
CC(=O)C1CC=C(C=NO)CC1 | CC(=O)C1CC=C(C=NO)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
NC1(C(=O)O)CCC1 | NC1(C(=O)O)CCC1 | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CCl)OC(CO)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2(CCl)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
ON=CC1=CCCCC1 | ON=CC1=CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
ON=CC1=CCCC1 | ON=CC1=CCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O | CC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)CNC(=Nc1ccc2cn[nH]c2c1)NC1CCCCCCC1 | O=C(O)CNC(=Nc1ccc2cn[nH]c2c1)NC1CCCCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(NC(=Nc1cnc2cn[nH]c2c1)NCC(=O)O)c1ccccc1 | CC(NC(=Nc1cnc2cn[nH]c2c1)NCC(=O)O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1=CC=CCC1 | CC1=CC=CCC1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1=CCCCC1 | CC1=CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
COCC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O | COCC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O | sweet | Sweet; Very sweet, Sweetness | chemtastes_db |
CC1=C(C)CC(C(=O)O)(S(=O)(=O)c2ccccc2)C(C)C1 | CC1=C(C)CC(C(=O)O)(S(=O)(=O)c2ccccc2)C(C)C1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1=C(C)CC(C(=O)O)(S(=O)(=O)c2ccccc2)CC1 | CC1=C(C)CC(C(=O)O)(S(=O)(=O)c2ccccc2)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1=CCC(C(=O)O)(S(=O)(=O)c2ccccc2)C(C)C1 | CC1=CCC(C(=O)O)(S(=O)(=O)c2ccccc2)C(C)C1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1=CCC(C(=O)O)(S(=O)(=O)c2ccccc2)CC1 | CC1=CCC(C(=O)O)(S(=O)(=O)c2ccccc2)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)c1ccccc1C(=O)c1ccc(O)c(O)c1 | O=C(O)c1ccccc1C(=O)c1ccc(O)c(O)c1 | sweet | Sweet, Sweetness | chemtastes_db |
COc1c(O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)c(O)c1)O2 | COc1c(O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)c(O)c1)O2 | sweet | Sweet, Sweetness | chemtastes_db |
COc1c(O)cc2c(c1O)C(=O)C(OC(C)=O)C(c1ccc(O)c(O)c1)O2 | COc1c(O)cc2c(c1O)C(=O)C(OC(C)=O)C(c1ccc(O)c(O)c1)O2 | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C(=O)c2ccccc2C(=O)O)cc1O | COc1ccc(C(=O)c2ccccc2C(=O)O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(OCc2ccccc2C(=O)O)cc1O | COc1ccc(OCc2ccccc2C(=O)O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OC(=O)c3ccccc3O2)cc1O | COc1ccc(C2OC(=O)c3ccccc3O2)cc1O | sweet | Tasteless; Sweet(2), Sweetness | chemtastes_db |
COc1ccc(C2Oc3ccccc3O2)cc1O | COc1ccc(C2Oc3ccccc3O2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OC(=O)c3ccccc3S2)cc1O | COc1ccc(C2OC(=O)c3ccccc3S2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2Oc3ccccc3S2)cc1O | COc1ccc(C2Oc3ccccc3S2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2CSc3ccccc3S2)cc1O | COc1ccc(C2CSc3ccccc3S2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2CSc3cc(O)ccc3O2)cc1O | COc1ccc(C2CSc3cc(O)ccc3O2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2CSc3ccccc3O2)cc1O | COc1ccc(C2CSc3ccccc3O2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2CS(=O)(=O)c3ccccc3O2)cc1O | COc1ccc(C2CS(=O)(=O)c3ccccc3O2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2SCc3c(O)cccc3S2)cc1O | COc1ccc(C2SCc3c(O)cccc3S2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OCc3c(O)cccc3S2)cc1O | COc1ccc(C2OCc3c(O)cccc3S2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2CCc3ccccc3S2)cc1O | COc1ccc(C2CCc3ccccc3S2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2SCc3ccccc3S2)cc1O | COc1ccc(C2SCc3ccccc3S2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2Sc3ccccc3S2)cc1O | COc1ccc(C2Sc3ccccc3S2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2Oc3ccccc3CS2)cc1O | COc1ccc(C2Oc3ccccc3CS2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OCc3ccccc3S2)cc1S | COc1ccc(C2OCc3ccccc3S2)cc1S | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1 | O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1 | CCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CCc1ccc(S(=O)(=O)C(C(=O)O)C(C)C)cc1 | CCc1ccc(S(=O)(=O)C(C(=O)O)C(C)C)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)c1ccccc1C(=O)c1ccc(O)cc1 | O=C(O)c1ccccc1C(=O)c1ccc(O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C(=O)c2ccccc2C(=O)O)cc1 | COc1ccc(C(=O)c2ccccc2C(=O)O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(S(=O)c2ccccc2C(=O)O)cc1 | COc1ccc([S+]([O-])c2ccccc2C(=O)O)cc1 | sweet | Sweet , Sweetness | chemtastes_db |
Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1 | Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
Cc1ccc(S(=O)(=O)C(C(=O)O)C(C)C)cc1 | Cc1ccc(S(=O)(=O)C(C(=O)O)C(C)C)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CCC(C)C(C(=O)O)S(=O)(=O)c1ccccc1 | CCC(C)C(C(=O)O)S(=O)(=O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1(C)CC1(C(=O)O)S(=O)(=O)c1ccc(O)cc1 | CC1(C)CC1(C(=O)O)S(=O)(=O)c1ccc(O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CCOc1ccc(CCC(=O)c2ccccc2O)cc1O | CCOc1ccc(CCC(=O)c2ccccc2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCC(=O)c2ccccc2O)cc1O | COc1ccc(CCC(=O)c2ccccc2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCC(=O)c2c(O)cc(O)c(C(=O)O)c2O)cc1O | COc1ccc(CCC(=O)c2c(O)cc(O)c(C(=O)O)c2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)(OCC(=O)O)C1CC=C(C=NO)CC1 | CC(C)(OCC(=O)O)C1CC=C(C=NO)CC1 | sweet | Sweet, Sweetness | chemtastes_db |
O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1cc(C2OCc3ccccc3S2)ccc1O | O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1cc(C2OCc3ccccc3S2)ccc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OCc3ccccc3O2)cc1OC(=O)Nc1ccc([N+](=O)[O-])cc1 | COc1ccc(C2OCc3ccccc3O2)cc1OC(=O)Nc1ccc([N+](=O)[O-])cc1 | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2OCc3ccccc3S2)cc1OC(=O)Nc1ccc([N+](=O)[O-])cc1 | COc1ccc(C2OCc3ccccc3S2)cc1OC(=O)Nc1ccc([N+](=O)[O-])cc1 | sweet | Sweet, Sweetness | chemtastes_db |
O=C(COc1cccc(C2OCc3ccccc3S2)c1)c1ccc([N+](=O)[O-])cc1 | O=C(COc1cccc(C2OCc3ccccc3S2)c1)c1ccc([N+](=O)[O-])cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CN(C)c1ccc(C(=O)c2ccccc2C(=O)O)cc1 | CN(C)c1ccc(C(=O)c2ccccc2C(=O)O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)OC(=O)C(C)NC(=O)C(N)C(=O)O | CC(C)OC(=O)C(C)NC(=O)C(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
Nc1ccccc1C(=O)O | Nc1ccccc1C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)CNC(=Nc1ccc(Cl)nc1)NC1CCCCCCC1 | O=C(O)CNC(=Nc1ccc(Cl)nc1)NC1CCCCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCCCC2)cn1 | N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCCCC2)cn1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCCC2)cn1 | N#Cc1ccc(N=C(NCC(=O)O)NC2CCCCCCC2)cn1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(N=C(NCC(=O)O)NC(c2ccccc2)c2ccco2)cn1 | N#Cc1ccc(N=C(NCC(=O)O)NC(c2ccccc2)c2ccco2)cn1 | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)C(C1CCCC1)S(=O)(=O)c1ccccc1 | O=C(O)C(C1CCCC1)S(=O)(=O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
CCOc1ccc(CCc2ccccc2)cc1O | CCOc1ccc(CCc2ccccc2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CC(=O)c2ccccc2O)cc1O | COc1ccc(CC(=O)c2ccccc2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCCc2ccccc2)cc1O | COc1ccc(CCCc2ccccc2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CSc2ccccc2)cc1O | COc1ccc(CSc2ccccc2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCc2ccc3c(c2)OCO3)cc1O | COc1ccc(CCc2ccc3c(c2)OCO3)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCc2ccccc2OC)cc1O | COc1ccc(CCc2ccccc2OC)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCc2ccccc2C)cc1O | COc1ccc(CCc2ccccc2C)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1cccc(CCc2ccc(OC)c(O)c2)c1 | COc1cccc(CCc2ccc(OC)c(O)c2)c1 | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCc2cccc(C)c2)cc1O | COc1ccc(CCc2cccc(C)c2)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
CC=C(C)C | CC=C(C)C | sweet | Sweet, Sweetness | chemtastes_db |
CC(NC(=Nc1ccc2ccccc2c1)NCC(=O)O)c1ccccc1 | CC(NC(=Nc1ccc2ccccc2c1)NCC(=O)O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)C(C)(C(=O)O)S(=O)(=O)c1ccccc1 | CC(C)C(C)(C(=O)O)S(=O)(=O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |