Canonicalized SMILES
stringlengths 1
839
| Canonicalized Taste
stringclasses 5
values | Original Labels
stringlengths 4
212
| Source
stringclasses 6
values | standardised_smiles
stringlengths 1
839
|
|---|---|---|---|---|
SCCCCCCS | undefined | fatty, burnt, meaty | flavor_db | SCCCCCCS |
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)SSSSP(=O)(O)O)C(O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)SSSSP(=O)(O)O)C(O)C1O |
CC(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O |
O=c1cc(O)[nH]c(=O)[nH]1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=c1cc(O)[nH]c(=O)[nH]1 |
C=C1C(=O)C23CC1CC(OC(C)=O)C2C1(COC(C)=O)C(CCC(C)(C)C1C=O)OC3=O | undefined | Tasteless, Tastelessness | chemtastes_db | C=C1C(=O)C23CC1CC(OC(C)=O)C2C1(COC(C)=O)C(CCC(C)(C)C1C=O)OC3=O |
COc1cc(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2 | sweet | sweet-like | flavor_db | COc1cc(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2 |
COc1cc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC)ccc1O | sweet | sweet-like | flavor_db | COc1cc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC)ccc1O |
O=Cc1cccc(Cl)c1O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=Cc1cccc(Cl)c1O |
CC(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)O | sweet | sweet | flavor_db | CC(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)O |
CC(C)C(C)O | undefined | fruity | flavor_db | CC(C)C(C)O |
NC(CC(=O)c1ccccc1NC=O)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db | NC(CC(=O)c1ccccc1NC=O)C(=O)O |
OCC1OC(O)(CO)C(OC2OCC(O)C(O)C2O)C1O | sweet | sweet | flavor_db | OCC1OC(O)(CO)C(OC2OCC(O)C(O)C2O)C1O |
CCCC1CCC(=O)O1 | sweet | coconut, caramel, nut, fat, hay, fruit, sweet, nutty, tonka | flavor_db | CCCC1CCC(=O)O1 |
CC1OC(OC2C(O)C(CO)OC(OC(CO)C(O)CO)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(O)C(CO)OC(OC(CO)C(O)CO)C2O)C(O)C(O)C1O |
CCCCSSCCC | undefined | sulfurous | flavor_db | CCCCSSCCC |
Nc1ncnc2c1nc(Br)n2C1OC2COP(=O)([O-])OC2C1O.O.[Na+] | sweet | sweet-like | flavor_db | Nc1ncnc2c1nc(Br)n2C1OC2COP(=O)([O-])OC2C1O.O.[Na+] |
CC(O)C(O)OC(CO)C(CO)OC1OC(CO)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC(O)C(O)OC(CO)C(CO)OC1OC(CO)C(O)C(O)C1O |
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(=O)OC)CC(=O)C5(C)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O | sweet | sweet-like | flavor_db | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(=O)OC)CC(=O)C5(C)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O |
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)CCP(=O)(O)O)C(O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)CCP(=O)(O)O)C(O)C1O |
CC(CN)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | sweet | sweet-like | flavor_db | CC(CN)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
COc1cc(C2Cc3ccccc3C(=O)O2)ccc1O | undefined | Tasteless, Tastelessness | chemtastes_db | COc1cc(C2Cc3ccccc3C(=O)O2)ccc1O |
CC(N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(NC(=O)C(N)CC(=O)O)C(=O)NC1C(C)(C)C(O)C1(C)C | sweet | Sweet, Sweetness | chemtastes_db | CC(NC(=O)C(N)CC(=O)O)C(=O)NC1C(C)(C)C(O)C1(C)C |
NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O |
CCCCCCCS | undefined | onion, sulfurous | flavor_db | CCCCCCCS |
C[Si](C)(C)OC1C(O)OC(CO)C(O)C1O | sweet | sweet | flavor_db | C[Si](C)(C)OC1C(O)OC(CO)C(O)C1O |
COC(=O)c1ccccc1O | undefined | mint, wintergreen, peppermint | flavor_db | COC(=O)c1ccccc1O |
COCC1OC(O)C(O)C(OC)C1OC | sweet | sweet | flavor_db | COCC1OC(O)C(O)C(OC)C1OC |
CC1OC(OOCC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | CC1OC(OOCC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O |
CC1=CCC(O)(C(C)C)CC1 | bitter | bitter; pungent; sweet; | phytocompounds_db | CC1=CCC(O)(C(C)C)CC1 |
Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)NP(=O)(O)O)O1 | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)NP(=O)(O)O)O1 |
Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)NCCO)O1 | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)NCCO)O1 |
CCC(C)C(=O)OCC(CO)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db | CCC(C)C(=O)OCC(CO)NC(=O)C(N)CC(=O)O |
SCc1cccs1 | undefined | sulfur, roast, coffee, fishy | flavor_db | SCc1cccs1 |
CCC=CCC(=O)OC | undefined | floral, fruity | flavor_db | CCC=CCC(=O)OC |
O=C(O)Cc1ccccc(O)c1=O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)Cc1ccccc(O)c1=O |
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1O | sweet | sweet-like | flavor_db | CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1O |
COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(C)=O | sweet | sweet | flavor_db | COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(C)=O |
[N-]=[N+]=Nc1nc2c(N)ncnc2n1C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O | sweet | sweet-like | flavor_db | [N-]=[N+]=Nc1nc2c(N)ncnc2n1C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O |
COC1C(COC2OC(CO)C(O)C(O)C2O)OC(O)C(O)C1O | sweet | sweet-like | flavor_db | COC1C(COC2OC(CO)C(O)C(O)C2O)OC(O)C(O)C1O |
O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1 | bitter | Bitter, Bitterness | chemtastes_db | O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1 |
C=Cc1ncc(C)nc1C | undefined | earthy, musty, earth | flavor_db | C=Cc1ncc(C)nc1C |
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O.[Fe+3].[Fe+3].[O-2].[O-2].[O-2] | sweet | sweet | flavor_db | OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O.[Fe+3].[Fe+3].[O-2].[O-2].[O-2] |
O=C(O)CSCSCC(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)CSCSCC(=O)O |
OCC1OC(OC2(CF)OC(CCl)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | OCC1OC(OC2(CF)OC(CCl)C(O)C2O)C(O)C(O)C1O |
CCCCOC1OC(C)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CCCCOC1OC(C)C(O)C(O)C1O |
O=C(O)CC(C(=O)O)c1ccc([N+](=O)[O-])cc1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)CC(C(=O)O)c1ccc([N+](=O)[O-])cc1 |
OCC(O)CC(O)CO | sweet | sweet | flavor_db | OCC(O)CC(O)CO |
NC(=O)CC(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | NC(=O)CC(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(C)=CCc1c(O)c(O)c(O)c2c1OC(C)(C)CC2=O | bitter | Bitter, Bitterness | chemtastes_db | CC(C)=CCc1c(O)c(O)c(O)c2c1OC(C)(C)CC2=O |
Cn1ncc(=S)[nH]c1=O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cn1ncc(=S)[nH]c1=O |
O=C(O)CS(=O)(=O)c1cccc(F)c1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)CS(=O)(=O)c1cccc(F)c1 |
CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O |
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3o2)ccc1OC=CCC(C)=O | sweet | sweet-like | flavor_db | COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3o2)ccc1OC=CCC(C)=O |
CCCCOP(=O)(O)OP(=O)(O)OP(=O)(OCCCC)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | sweet | sweet-like | flavor_db | CCCCOP(=O)(O)OP(=O)(O)OP(=O)(OCCCC)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
CC(NC(=Nc1cc(Cl)c(Cl)c(Cl)c1)NCC(=O)O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db | CC(NC(=Nc1cc(Cl)c(Cl)c(Cl)c1)NCC(=O)O)c1ccccc1 |
O=COCC1OC(OC2(CCl)CC(O)C(CCl)O2)C(O)C(O)C1Cl | sweet | sweet-like | flavor_db | O=COCC1OC(OC2(CCl)CC(O)C(CCl)O2)C(O)C(O)C1Cl |
OCC1OC(O)C(O)C(O)C1OC1OC(C(O)(O)O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | OCC1OC(O)C(O)C(O)C1OC1OC(C(O)(O)O)C(O)C(O)C1O |
CCCCCOC1OC(CO)C(O)C(O)C1O | sweet | sweet | flavor_db | CCCCCOC1OC(CO)C(O)C(O)C1O |
CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)CC(C)C3(CC(c4ccoc4)OC3=O)C2CCC1 | bitter | Bitter, Bitterness | chemtastes_db | CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)CC(C)C3(CC(c4ccoc4)OC3=O)C2CCC1 |
NC(CC(=O)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | NC(CC(=O)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(C)CC(N)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O)C(C)C | sweet | sweet | flavor_db | CC(C)CC(N)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O)C(C)C |
OC(O)CC1OC(O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | OC(O)CC1OC(O)C(O)C(O)C1O |
CC(C)=CCCC(C)c1ccc(C)cc1 | undefined | herb | flavor_db | CC(C)=CCCC(C)c1ccc(C)cc1 |
C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(O)C12 | bitter | Bitter, Bitterness | chemtastes_db | C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(O)C12 |
CC1=CC(=O)C2C(C)CCC3C(C)C(=O)OC3C12 | bitter | bitter | phytocompounds_db | CC1=CC(=O)C2C(C)CCC3C(C)C(=O)OC3C12 |
COc1cc(-c2cc(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3o2)cc(OC)c1O | sweet | sweet-like | flavor_db | COc1cc(-c2cc(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3o2)cc(OC)c1O |
CCC(=O)C(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CCC(=O)C(=O)O |
C=C(C)CCCC(C)CCOC(=O)CC(C)C | undefined | Bitter/Sweet, Multitaste | chemtastes_db | C=C(C)CCCC(C)CCOC(=O)CC(C)C |
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C1O |
CC(O)C(C)OC1OC(CO)C(O)C(O)C1O | sweet | sweet | flavor_db | CC(O)C(C)OC1OC(CO)C(O)C(O)C1O |
Cc1nc(C)c(C)s1 | undefined | hazelnut, chocolate, vegetable, musty, coffee, cocoa, earth, nutty | flavor_db | Cc1nc(C)c(C)s1 |
Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 | bitter | Bitter, Bitterness | chemtastes_db | Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 |
O=c1ncnc2[nH]ncnc1-2 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=c1ncnc2[nH]ncnc1-2 |
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(OC1OC(CO)C(OC2OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C2O)C(O)C1O)C3 | sweet | sweet-like | flavor_db | C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(OC1OC(CO)C(OC2OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C2O)C(O)C1O)C3 |
[N-]=[N+]=Nc1nc(N)c2ncn(C3OC(CO[P+](=O)[O-])C(O)C3O)c2n1 | sweet | sweet-like | flavor_db | [N-]=[N+]=Nc1nc(N)c2ncn(C3OC(CO[P+](=O)[O-])C(O)C3O)c2n1 |
OCC1OC(OCl)C(O)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(OCl)C(O)C(O)C1O |
CC(=O)OCC12C(CCC(C)(C)C1C=O)OC(=O)C13CC(CC(OC(C)=O)C12)C(C)C3=O | undefined | Tasteless, Tastelessness | chemtastes_db | CC(=O)OCC12C(CCC(C)(C)C1C=O)OC(=O)C13CC(CC(OC(C)=O)C12)C(C)C3=O |
CCCOc1ccc([N+](=O)[O-])cc1N | sweet | Sweet, Sweetness | chemtastes_db | CCCOc1ccc([N+](=O)[O-])cc1N |
CCCCCCCCCCCC=O | bitter | bitter | phytocompounds_db | CCCCCCCCCCCC=O |
O=S(=O)(O)c1cc(I)c(O)c2ncccc12 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=S(=O)(O)c1cc(I)c(O)c2ncccc12 |
COC1OC(COC2OC(CO)C(O)C(F)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | COC1OC(COC2OC(CO)C(O)C(F)C2O)C(O)C(O)C1O |
CC(C)C(=O)OCC(C)c1ccccc1 | undefined | floral, pineapple, fruity, mango | flavor_db | CC(C)C(=O)OCC(C)c1ccccc1 |
NC(CC(=O)O)C(=O)O | bitter | sour; bitter; salty; | phytocompounds_db | NC(CC(=O)O)C(=O)O |
O=c1c(-c2ccc(O)cc2O)coc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12 | sweet | sweet-like | flavor_db | O=c1c(-c2ccc(O)cc2O)coc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12 |
CCCCCC#Cc1nc(N)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1 | sweet | sweet-like | flavor_db | CCCCCC#Cc1nc(N)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1 |
OCC1OC(OC2(COCl)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(OC2(COCl)OC(CO)C(O)C2O)C(O)C(O)C1O |
CCC(C)C(N)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(N)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OCC(O)C(O)C3O)c(O)c12 | sweet | sweet-like | flavor_db | O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OCC(O)C(O)C3O)c(O)c12 |
CCCCCCCCCCCCCC(=O)NCC(=O)NC(CC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O | sweet | sweet | flavor_db | CCCCCCCCCCCCCC(=O)NCC(=O)NC(CC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O |
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O | bitter | bitter | phytocompounds_db | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O |
OCC(O)CC(O)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | OCC(O)CC(O)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O |
CCOC1OC(CF)C(O)C(O)C1O | sweet | sweet | flavor_db | CCOC1OC(CF)C(O)C(O)C1O |
OCC1OC(OCCOCCOCCOCCOC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | OCC1OC(OCCOCCOCCOCCOC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=C(C(=O)CC(C)C)C1=O | bitter | Bitter, Bitterness | chemtastes_db | CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=C(C(=O)CC(C)C)C1=O |
Cc1ncnc2[nH]nnc12 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cc1ncnc2[nH]nnc12 |
Nc1cc(F)ccc1C(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Nc1cc(F)ccc1C(=O)O |
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O |
CCCC(C)OC(=O)C(C)CCC | undefined | pear | flavor_db | CCCC(C)OC(=O)C(C)CCC |
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCOB(O)O)C(O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCOB(O)O)C(O)C1O |