MonarchInit/C3PO huggingface dataset:
Compound: xanthoxycyclin C
SMILES: C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
Compound: xanthoxycyclin D
SMILES: CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)[C@@H](C)O)C(C)C)C(C)C
Compound: xanthoxycyclin E
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O
Compound: xanthoxycyclin F
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C
Compound: buzepide
SMILES: NC(=O)C(CCN1CCCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
Compound: (4R,8E)-N-tetracosanoyl-4-hydroxysphing-8-enine
SMILES: C(CCCC\C=C\CCC[C@H]([C@@H](O)[C@H](CO)NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)O)CCCC
Compound: (4R,8Z)-N-tetracosanoyl-4-hydroxysphing-8-enine
SMILES: C(CC/C=C\CCCCCCCCC)[C@H]([C@@H](O)[C@H](CO)NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)O
Compound: buzepide(1+)
SMILES: NC(=O)C(CC[NH+]1CCCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
Compound: (4E,8E)-N-hexadecanoylsphinga-4,8-dienine
SMILES: C(=C/CCCCCCCCC)\CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)CO
Compound: (4E,8Z)-N-hexadecanoylsphinga-4,8-dienine
SMILES: C(=C\CCCCCCCCC)\CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)CO
Compound: alpha-D-mannopyranuronate
SMILES: [C@H]1([C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)C(=O)[O-]
Compound: (4E,8Z)-N-tetracosanoylsphinga-4,8-dienine
SMILES: C(=C\CCCCCCCCC)\CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)CO
Compound: alpha-D-talopyranuronate
SMILES: [C@H]1([C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)C(=O)[O-]
Compound: (4E,8E)-N-tetracosanoylsphinga-4,8-dienine
SMILES: C(=C/CCCCCCCCC)\CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)CO
Compound: (1R,2S)-cicloxilic acid
SMILES: OC(=O)[C@@H]1CCCC[C@@]1(O)C1=CC=CC=C1
Compound: nicotinic acid D-ribonucleotide
SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)[n+]1cccc(c1)C(O)=O
Compound: (1S,2R)-cicloxilic acid
SMILES: OC(=O)[C@H]1CCCC[C@]1(O)C1=CC=CC=C1
Compound: 2-hydroxy-2-phenylcyclohexanecarboxylic acid
SMILES: OC(=O)C1CCCCC1(O)C1=CC=CC=C1
Compound: S. pneumoniae serotype 14 capsular oligosaccharide derivative
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCCCCC(=O)NCCCCCO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](OCCCCC(=O)NCCCCCO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](OCCCCC(O)=O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H]1OCCCCCN
Compound: 20alpha-hydroxycholesterol
SMILES: O[C@@]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)CC(O)CC4)C)(CC2)[H])[H])(CC1)[H])C)[H])(CCCC(C)C)C
Compound: methyl 14-methylpentadecanoate
SMILES: O(C(=O)CCCCCCCCCCCCC(C)C)C
Compound: (aminooxy)acetate
SMILES: NOCC([O-])=O
Compound: N-(omega-hydroxyoctacosanoyl)sphingosine
SMILES: C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCO)CO
Compound: N-(omega-hydroxydotriacontanoyl)sphingosine
SMILES: C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)CO
Compound: L-dopa
SMILES: N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Compound: Glu-Gly-Arg-chloromethylketone
SMILES: N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl
Compound: N-(omega-linoleoyloxy-octacosanoyl)sphingosine
SMILES: [C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO
Compound: N-(omega-linoleoyloxydotricontanoyl)sphingosine
SMILES: [C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO
Compound: cholest-1,4-dien-3-one
SMILES: [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(C=C4)=O)CC3)C)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H])C
Compound: 25-hydroxycholest-1,4-dien-3-one
SMILES: [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(C=C4)=O)CC3)C)[H])[H])(CC[C@@]2([C@@H](CCCC(C)(C)O)C)[H])[H])C
Compound: N-benzoyl-D-arginine-4-nitroanilide
SMILES: NC(=N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Compound: 25-hydroxycholest-4,6-dien-3-one
SMILES: [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(CC4)=O)C=C3)C)[H])[H])(CC[C@@]2([C@@H](CCCC(C)(C)O)C)[H])[H])C
Compound: cholest-4,6-dien-3-one
SMILES: [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(CC4)=O)C=C3)C)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H])C
Compound: beta-D-Galp6S-(1->3)-D-GlcpNAc6S
SMILES: CC(=O)N[C@H]1C(O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COS(O)(=O)=O)[C@H](O)[C@H](O)[C@H]1O
Compound: alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-{alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)[C@H]4O)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O
Compound: dichloromethane
SMILES: [H]C([H])(Cl)Cl
Compound: alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-diphospho-ditrans,octacis-undecaprenol(2-)
SMILES: O(P(OC/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C)([O-])=O)P(O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)([O-])=O
Compound: AN11736
SMILES: FC1=CC=C(COC(=O)[C@@H](NC(=O)C2=C(C3=C(COB3O)C=C2)C)C(C)C)C=C1
Compound: (S)-menthone 8-thioacetate
SMILES: S(C(C1CCC(CC1=O)C)(C)C)C(=O)C
Compound: alpha-D-abequose-(1->3)-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-diphospho-ditrans,octacis-undecaprenol(2-)
SMILES: O(P(OC/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C)([O-])=O)P(O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H](O)C[C@@H](O)[C@H](O4)C)O)O)O)O)([O-])=O
Compound: alpha-D-tyvelose-(1->3)-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-diphospho-ditrans,octacis-undecaprenol(2-)
SMILES: O(P(OC/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C)([O-])=O)P(O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@@H](O)C[C@H](O)[C@H](O4)C)O)O)O)O)([O-])=O
Compound: cefminox(1-)
SMILES: [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSC[C@@H]([NH3+])C([O-])=O)OC)C([O-])=O
Compound: prednisolone succinate(1-)
SMILES: [H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: (2S,3R)-bifluranol
SMILES: CC[C@H]([C@H](C)C1=CC=C(O)C(F)=C1)C1=CC=C(O)C(F)=C1
Compound: (2R,3S)-bifluranol
SMILES: CC[C@@H]([C@@H](C)C1=CC=C(O)C(F)=C1)C1=CC=C(O)C(F)=C1
Compound: 3,5-diiodo-L-tyrosine
SMILES: N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O
Compound: 4,4'-pentane-2,3-diylbis(2-fluorophenol)
SMILES: CCC(C(C)C1=CC=C(O)C(F)=C1)C1=CC=C(O)C(F)=C1
Compound: tomaymycin
SMILES: [H]C(C)=C1CN2C(=O)C3=CC(OC)=C(O)C=C3N[C@H](OC)[C@]2([H])C1
Compound: vanchrobactin
SMILES: NC(=N)NCCC[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)C(=O)N[C@@H](CO)C(O)=O
Compound: althiomycin
SMILES: COC1=CC(=O)N(C1)C(=O)[C@H]1CSC(=N1)C(CO)NC(=O)C1=CSC(\C=N\O)=N1
Compound: lymphostin
SMILES: CO\C=C\C(=O)C1=NC2=C3C(C=NC3=C(N)C=C2NC(C)=O)=C1
Compound: butyl sulfate(1-)
SMILES: O(CCCC)S([O-])(=O)=O
Compound: pentyl sulfate(1-)
SMILES: O(CCCCC)S([O-])(=O)=O
Compound: hexyl sulfate(1-)
SMILES: O(CCCCCC)S([O-])(=O)=O
Compound: heptyl sulfate(1-)
SMILES: O(CCCCCCC)S([O-])(=O)=O
Compound: N-[(R)-4-phosphopantothenoyl]-L-cysteine
SMILES: CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O
Compound: nonyl sulfate(1-)
SMILES: O(CCCCCCCCC)S([O-])(=O)=O
Compound: alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-{alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->2)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)[C@H]4O)O[C@@H]3CO)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: D-erythritol 4-phosphate
SMILES: OC[C@H](O)[C@H](O)COP(O)(O)=O
Compound: bismuth citrate
SMILES: [Bi+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
Compound: 3-(3-chloro-4-methylphenyl)-1-methylurea
SMILES: C1(=C(C=CC(=C1)NC(NC)=O)C)Cl
Compound: 3-(3-chloro-4-methoxylphenyl)-1-methylurea
SMILES: C1=C(C(=CC(=C1)NC(NC)=O)Cl)OC
Compound: 3-(4-chlorophenyl)-1-methylurea
SMILES: C1=C(C=CC(=C1)NC(NC)=O)Cl
Compound: 3-[3-(trifluoromethyl)phenyl]-1-methylurea
SMILES: C1(=CC=CC(=C1)NC(NC)=O)C(F)(F)F
Compound: 1-methyl-3-phenylurea
SMILES: C1=CC=CC(=C1)NC(NC)=O
Compound: (2E,4S)-4,5-dihydroxypent-2-enal
SMILES: OC[C@H](/C=C/C=O)O
Compound: (-)-bornyl ferulate
SMILES: O(C1C2(C(C(C1)CC2)(C)C)C)C(=O)/C=C/C3=CC(OC)=C(O)C=C3
Compound: (-)-bornyl-caffeate
SMILES: O(C1C2(C(C(C1)CC2)(C)C)C)C(=O)/C=C/C3=CC(O)=C(O)C=C3
Compound: 1-Cinnamoylpyrrolidine
SMILES: O=C(N1CCCC1)/C=C/C2=CC=CC=C2
Compound: loganin
SMILES: [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@@H](OC=C2C(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 3alpha,4alpha-epoxy-5beta-pipermethystine
SMILES: O1[C@H]2[C@@H]1C(=O)N(C[C@@H]2OC(=O)C)C(=O)CCC3=CC=CC=C3
Compound: Bornylcinnamate
SMILES: O(C1C2(C(C(C1)CC2)(C)C)C)C(=O)C=CC3=CC=CC=C3
Compound: Cinnamalacetone
SMILES: O=C(C=CC=CC1=CC=CC=C1)C
Compound: Dihydrokavain
SMILES: O1[C@@H](CCC2=CC=CC=C2)CC(OC)=CC1=O
Compound: Octadecadienoic acid, methyl ester
SMILES: O(C(=O)C=CC=CCCCCCCCCCCCCC)C
Compound: p-Hydroxykavain
SMILES: O1C(CC(OC)=CC1=O)/C=C/C2=CC=C(O)C=C2
Compound: 5,6,7,8-Tetrahydroyangonin
SMILES: O1C(CCC2=CC=C(OC)C=C2)CC(OC)=CC1=O
Compound: Dihydro-5,6-dehydrokawain
SMILES: O1C(CCC2=CC=CC=C2)=CC(OC)=CC1=O
Compound: flavokawain C
SMILES: O(C=1C(=C(O)C=C(OC)C1)C(=O)/C=C/C2=CC=C(O)C=C2)C
Compound: 10-Methoxyyangonin
SMILES: O(C1=C(C=CC(OC)=C1)/C=C/C=2OC(=O)C=C(OC)C2)C
Compound: L-dopachrome
SMILES: [H][C@]1(CC2=CC(=O)C(=O)C=C2N1)C(O)=O
Compound: 11-Methoxyyangonin
SMILES: O(C=1C=C(C=CC1OC)/C=C/C=2OC(=O)C=C(OC)C2)C
Compound: 2,5,8-Trimethyl-1-Naphthol
SMILES: OC=1C=2C(=C(C=CC2C)C)C=CC1C
Compound: 5-methyl-1-phenylhexen-3-yn-5-ol
SMILES: OC(C)(C)C#C\C=C\C1=CC=CC=C1
Compound: (-)-bornyl-p-coumarate
SMILES: O(C1C2(C(C(C1)CC2)(C)C)C)C(=O)/C=C/C3=CC=C(O)C=C3
Compound: 11-Hydroxy-12-methoxydihydrokawain
SMILES: O1C(CCC2=CC(O)=C(OC)C=C2)CC(OC)=CC1=O
Compound: Flavokawain A
SMILES: O(C=1C(=C(O)C=C(OC)C1)C(=O)/C=C/C2=CC=C(OC)C=C2)C
Compound: Pipermethystine
SMILES: O(C1CN(C(=O)CCC2=CC=CC=C2)C(=O)C=C1)C(=O)C
Compound: Mosloflavone
SMILES: O1C=2C(=C(O)C(OC)=C(OC)C2)C(=O)C=C1C3=CC=CC=C3
Compound: p-Hydroxy-7,8-dihydrokavain
SMILES: O1C(CCC2=CC=C(O)C=C2)CC(OC)=CC1=O
Compound: Hedycaryol
SMILES: OC([C@]1(CCC(=CCCC(=CC1)C)C)[H])(C)C
Compound: alpha-epi-7-epi-5-Eudesmol
SMILES: OC(C1CC2C(CC1)(CCC=C2C)C)(C)C
Compound: 1,10-Undecadiene
SMILES: C(CCCC=C)CCCC=C
Compound: 13-Tetradece-11-yn-1-ol
SMILES: OCCCCCCCCCCC#CC=C
Compound: Bornyl cinnamate
SMILES: O(C1C2(C(C(C1)CC2)(C)C)C)C(=O)/C=C/C3=CC=CC=C3
Compound: Tetrahydro-11-methoxyiangonin
SMILES: O1[C@@H](CCC2=CC(OC)=C(OC)C=C2)CC(OC)=CC1=O
Compound: Pyrrolidine, 1-(m-methoxycinnamoyl)-
SMILES: O=C(N1CCCC1)/C=C/C2=CC(OC)=CC=C2
Compound: Dihydroalatamide
SMILES: O(C1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C
Compound: 5-hydroxy-4',7-dimethoxyflavanone
SMILES: COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OC)C=C2O1
Compound: (E)-N-Cinnamoylpiperidine
SMILES: O=C(N1CCCCC1)/C=C/C2=CC=CC=C2
Compound: dTDP-beta-L-rhamnose
SMILES: C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O
Compound: 4-methylcyclohexanemethanol
SMILES: CC1CCC(CO)CC1
Compound: delta(17)-6-keto Prostaglandin F1alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)C/C=C\CC)CC(=O)CCCCC(O)=O
Compound: 8-Iso-PGF3alpha
SMILES: O[C@@H]1[C@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)C/C=C\CC)C/C=C\CCCC(O)=O
Compound: (+/-)-8-HEPE
SMILES: OC(C/C=C\CCCC(O)=O)/C=C/C=C\C/C=C\C/C=C\CC
Compound: Lipoxin A5
SMILES: O[C@@H](CCCC(O)=O)[C@@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)C/C=C\CC
Compound: 17beta-hydroxyandrostan-1,3-dione
SMILES: C1[C@]2(CC(CC([C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C1)[H])(CC[C@@H]4O)[H])C)[H])C)=O)=O)[H]
Compound: 3-oxoadipate(2-)
SMILES: [O-]C(=O)CCC(=O)CC([O-])=O
Compound: 1,17beta-dihydroxyandrostan-3-one
SMILES: C1[C@]2(CC(CC([C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C1)[H])(CC[C@@H]4O)[H])C)[H])C)O)=O)[H]
Compound: 1-hydroxy-5alpha-androstan-3,17-dione
SMILES: [C@@]12(CC[C@@]3(C)[C@@]([C@@]1(CC[C@@]4([C@]2(C)C(CC(C4)=O)O)[H])[H])([H])CCC3=O)[H]
Compound: 5alpha-androstan-1,3,17-trione
SMILES: [C@@]12(CC[C@@]3(C)[C@@]([C@@]1(CC[C@@]4([C@]2(C)C(CC(C4)=O)=O)[H])[H])([H])CCC3=O)[H]
Compound: 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
SMILES: NC1=C(O)C=CC=C1C(=O)CC(=O)C([O-])=O
Compound: cephalosporin C
SMILES: [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O
Compound: N(7)-methyl-GpppA
SMILES: C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=CN=C4N)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
Compound: 5-methoxybenzimidazolylcob(I)amide(1-)
SMILES: C12=C(C)C3=[N+]4C(=CC5=[N+]6C(=C(C7=[N+]8[C@@]([C@@]9(N1[Co-4]864[N+]=%10C%11=CC=C(C=C%11N(C%10)[C@@H]%12[C@@H]([C@@H]([C@H](O%12)CO)OP(O[C@@H](CNC(CC[C@@]2([C@H]9CC(=O)N)C)=O)C)(=O)[O-])O)OC)[H])([C@]([C@@H]7CCC(N)=O)(CC(=O)N)C)C)C)[C@@]([C@@H]5CCC(=O)N)(C)CC(N)=O)C([C@@H]3CCC(=O)N)(C)C
Compound: Co-methyl-5-methoxybenzimidazolylcob(III)amide
SMILES: [Co-3]1234(N5C6=C(C7=[N+]4C(=CC8=[N+]3C(=C(C9=[N+]2[C@@]([C@]5([C@@H]([C@@]6(C)CCC(=O)NC[C@H](OP(O[C@@H]%10[C@H](O[C@H](N%11C=[N+]1C%12=CC=C(C=C%12%11)OC)[C@@H]%10O)CO)(=O)[O-])C)CC(=O)N)[H])([C@]([C@@H]9CCC(N)=O)(CC(=O)N)C)C)C)[C@](C)([C@@H]8CCC(=O)N)CC(N)=O)C([C@@H]7CCC(=O)N)(C)C)C)C
Compound: 2-heptyl-1-hydroxy-4(1H)-quinolinone
SMILES: C1=2C(C(C=C(N1O)CCCCCCC)=O)=CC=CC2
Compound: 2-heptyl-1-methoxy-4(1H)-quinolinone
SMILES: C1=2C(C(C=C(N1OC)CCCCCCC)=O)=CC=CC2
Compound: 4-oxocyclohexanecarboxylate
SMILES: [O-]C(=O)C1CCC(=O)CC1
Compound: 3-bromo-2-heptyl-1-hydroxy-4(1H)-quinolinone
SMILES: C1=2C(C(C(=C(N1O)CCCCCCC)Br)=O)=CC=CC2
Compound: 3-bromo-2-heptyl-1-methoxy-4(1H)-quinolinone
SMILES: C1=2C(C(C(=C(N1OC)CCCCCCC)Br)=O)=CC=CC2
Compound: S-Cysteinosuccinic acid
SMILES: S(C(CC(O)=O)C(O)=O)CC(N)C(O)=O
Compound: (S)-Homostachydrine
SMILES: [O-]C(=O)[C@H]1[N+](CCCC1)(C)C
Compound: S-Methylcysteine S-oxide
SMILES: S(=O)(C[C@H](N)C(O)=O)C
Compound: S-Methylpenicillamine
SMILES: S(C([C@H](N)C(O)=O)(C)C)C
Compound: s-Phenylmercapturic acid
SMILES: S(CC(NC(=O)C)C(O)=O)C1=CC=CC=C1
Compound: sulbactam sodium
SMILES: [Na+].[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)C(C)(C)S2(=O)=O
Compound: Cyclolinopeptide F
SMILES: S(=O)(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@]2(N(CCC2)C1=O)[H])CC3=CC=CC=C3)CC4=CC=CC=C4)CC=5C=6C(NC5)=CC=CC6)C(C)C)CCS(=O)C)CC(C)C)C
Compound: Ala-Cys
SMILES: C[C@H](N)C(=O)N[C@@H](CS)C(O)=O
Compound: alpha-Aspartyl-hydroxyproline
SMILES: OC1CC(N(C1)C(=O)C(N)CC(O)=O)C(O)=O
Compound: alpha-Glutamyl-hydroxyproline
SMILES: OC1CC(N(C1)C(=O)C(N)CCC(O)=O)C(O)=O
Compound: Arg-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CCCN=C(N)N
Compound: Arg-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(O)=O
Compound: Arg-Gly
SMILES: N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Compound: Arg-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](N)CCCN=C(N)N
Compound: Arg-Thr
SMILES: O[C@H]([C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(O)=O)C
Compound: Asn-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](N)CC(=O)N
Compound: Asn-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CC(=O)N)C(O)=O
Compound: Asn-Lys
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CCCCN
Compound: Asn-Thr
SMILES: O[C@H]([C@H](NC(=O)[C@@H](N)CC(=O)N)C(O)=O)C
Compound: Asp-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CC(O)=O
Compound: Asp-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O
Compound: Cys-Ala
SMILES: SC[C@H](N)C(=O)N[C@@H](C)C(O)=O
Compound: Cys-Arg
SMILES: N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Compound: Cys-Asn
SMILES: SC[C@H](N)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Cys-Asp
SMILES: SC[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Cys-Gln
SMILES: SC[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Cys-Glu
SMILES: SC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Cys-His
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1NC=NC1)C(O)=O
Compound: Cys-Ile
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](CC)C)C(O)=O
Compound: Cys-Leu
SMILES: SC[C@H](N)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine
SMILES: C[N+](C)(C)[C@@H](Cc1c[nH]cn1)C([O-])=O
Compound: Cys-Lys
SMILES: SC[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: His-Met-Asp
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC(O)=O)C(O)=O)C
Compound: Cys-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(O)=O)C
Compound: Cys-Phe
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
Compound: His-Met-Cys
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CS)C(O)=O)C
Compound: Cys-Thr
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@@H](O)C)C(O)=O
Compound: His-Met-Gln
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCC(=O)N)C(O)=O)C
Compound: Cys-Trp
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O
Compound: His-Met-Glu
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C
Compound: Cys-Tyr
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
Compound: viomycin
SMILES: [H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O
Compound: His-Met-Gly
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)NCC(O)=O)C
Compound: Cys-Val
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: His-Met-His
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O)C
Compound: Gln-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](N)CCC(=O)N
Compound: His-Met-Ile
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H]([C@H](CC)C)C(O)=O)C
Compound: Gln-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](N)CCC(=O)N
Compound: His-Met-Leu
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC(C)C)C(O)=O)C
Compound: Gln-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](N)CCC(=O)N
Compound: His-Met-Lys
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCCCN)C(O)=O)C
Compound: Gln-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CCC(=O)N)C(O)=O
Compound: N,N-dimethyl-1,4-phenylenediamine
SMILES: CN(C)c1ccc(N)cc1
Compound: His-Met-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCSC)C(O)=O)C
Compound: Gln-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](N)CCC(=O)N
Compound: His-Met-Phe
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)C
Compound: Gln-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)[C@H](CC)C
Compound: His-Met-Pro
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N2[C@H](CCC2)C(O)=O)C
Compound: Gln-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](N)CCC(=O)N
Compound: His-Met-Ser
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CO)C(O)=O)C
Compound: Gln-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CCC(=O)N)C(O)=O)C
Compound: His-Met-Thr
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H]([C@H](O)C)C(O)=O)C
Compound: Gln-Pro
SMILES: O=C(N1[C@@H](CCC1)C(O)=O)[C@@H](N)CCC(=O)N
Compound: N-acetyl-D-glucosamine 6-phosphate
SMILES: CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
Compound: Gln-Ser
SMILES: N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O
Compound: His-Met-Trp
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(O)=O)C
Compound: Gln-Thr
SMILES: O[C@H]([C@H](NC(=O)[C@@H](N)CCC(=O)N)C(O)=O)C
Compound: His-Met-Tyr
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O)C
Compound: Glu-Arg
SMILES: N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Compound: His-Met-Val
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](C(C)C)C(O)=O)C
Compound: Glu-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CCC(O)=O
Compound: His-Phe-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: Glu-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](N)CCC(O)=O
Compound: His-Phe-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: Glu-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](N)CCC(O)=O
Compound: His-Phe-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: His-Phe-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: His-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](N)CC=1NC=NC1
Compound: His-Phe-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2)C(O)=O
Compound: His-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CC=1NC=NC1
Compound: His-Phe-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: His-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(O)=O
Compound: His-Phe-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: His-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](N)CC=1NC=NC1
Compound: 3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine
SMILES: C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O
Compound: His-Phe-Gly
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(=O)NCC(O)=O)[C@@H](N)CC=2NC=NC2
Compound: His-Thr
SMILES: O[C@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(O)=O)C
Compound: Ile-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)[C@H](CC)C)C(O)=O
Compound: His-Phe-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC3=CC=CC=C3
Compound: His-Phe-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: Leu-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](N)CC(C)C
Compound: His-Phe-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: L-Glycyl-L-hydroxyproline
SMILES: OC1CC(N(C1)C(=O)CN)C(O)=O
Compound: His-Phe-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: Lys-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CCCCN
Compound: deoxylimonoic acid D-ring-lactone
SMILES: [H][C@@]1(CC(O)=O)OC(C)(C)[C@]([H])(CC(O)=O)[C@@]1(CO)[C@@]1([H])CC[C@@]2(C)[C@@H](OC(=O)CC2=C1C)c1ccoc1
Compound: His-Phe-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2)C(O)=O)C
Compound: Lys-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O
Compound: His-Phe-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC3=CC=CC=C3
Compound: Lys-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](N)CCCCN
Compound: His-Phe-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC3=CC=CC=C3
Compound: Met-Cys
SMILES: S(CC[C@H](N)C(=O)N[C@@H](CS)C(O)=O)C
Compound: His-Phe-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: N-gamma-Glutamylmethionine
SMILES: S(CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C
Compound: His-Phe-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2)C(O)=O)C
Compound: Phe-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O
Compound: 3,5-dichlorocatechol
SMILES: Oc1cc(Cl)cc(Cl)c1O
Compound: His-Phe-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=3NC=NC3)CC4=CC=CC=C4
Compound: Pro-Cys
SMILES: OC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1
Compound: His-Phe-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC3=CC=CC=C3
Compound: Pro-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@H]2NCCC2
Compound: His-Phe-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
Compound: Ser-Arg
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](N)CO)CCCN=C(N)N
Compound: His-Pro-Ala
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CC=2NC=NC2
Compound: Ser-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CO)C(O)=O
Compound: His-Pro-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
Compound: Thr-Asn
SMILES: C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O
Compound: 2'-O-methyllicodione
SMILES: COc1cc(O)ccc1C(=O)CC(=O)c1ccc(O)cc1
Compound: His-Pro-Asn
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CC=2NC=NC2
Compound: Thr-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)[C@H](O)C)C(O)=O
Compound: His-Pro-Asp
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](N)CC=2NC=NC2
Compound: Thr-Lys
SMILES: C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: His-Pro-Cys
SMILES: SC[C@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2)C(O)=O
Compound: Trp-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)C(O)=O
Compound: His-Pro-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
Compound: Trp-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2
Compound: His-Pro-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
Compound: Trp-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](N)CC=2C=3C(NC2)=CC=CC3
Compound: 3-methoxyapigenin
SMILES: COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
Compound: His-Pro-Gly
SMILES: O=C(N1[C@@H](CCC1)C(=O)NCC(O)=O)[C@@H](N)CC=2NC=NC2
Compound: Trp-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)C(O)=O)C
Compound: His-Pro-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@H]2N(CCC2)C(=O)[C@@H](N)CC=3NC=NC3
Compound: Tyr-Cys
SMILES: N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(O)=O
Compound: His-Pro-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
Compound: Val-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O
Compound: His-Pro-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
Compound: Pro-Val-Asn-Phe
SMILES: O=C(N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@H]2NCCC2
Compound: His-Pro-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
Compound: His-Pro-Met
SMILES: S(CC[C@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2)C(O)=O)C
Compound: 4-Methylthiobutylhydroximoyl-cysteinylglycine
SMILES: S(C[C@H](N)C(=O)NCC(O)=O)\C(=N\O)\CCCSC
Compound: His-Pro-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@H]2N(CCC2)C(=O)[C@@H](N)CC=3NC=NC3
Compound: Ala-Ala-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C
Compound: Ala-Ala-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C
Compound: His-Pro-Pro
SMILES: O=C(N1[C@@H](CCC1)C(O)=O)[C@H]2N(CCC2)C(=O)[C@@H](N)CC=3NC=NC3
Compound: Ala-Ala-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)C(O)=O
Compound: His-Pro-Ser
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CO)C(O)=O)[C@@H](N)CC=2NC=NC2
Compound: His-Pro-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
Compound: Ala-Ala-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C
Compound: His-Pro-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@H]3N(CCC3)C(=O)[C@@H](N)CC=4NC=NC4
Compound: malonate(2-)
SMILES: [O-]C(=O)CC([O-])=O
Compound: Ala-Ala-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C
Compound: Ala-Ala-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C
Compound: His-Pro-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@H]2N(CCC2)C(=O)[C@@H](N)CC=3NC=NC3
Compound: Ala-Ala-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)[C@H](CC)C
Compound: His-Pro-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
Compound: Ala-Ala-Leu
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)CC(C)C
Compound: His-Ser-Ala
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](C)C(O)=O
Compound: Ala-Ala-Lys
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)CCCCN
Compound: His-Ser-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CO
Compound: Ala-Ala-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)C(O)=O)C
Compound: 3-hydroxyanthranilic acid
SMILES: Nc1c(O)cccc1C(O)=O
Compound: His-Ser-Asn
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Ala-Ala-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C
Compound: His-Ser-Asp
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Ala-Ala-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)C(O)=O)C
Compound: His-Ser-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CO)C(O)=O
Compound: Ala-Ala-Trp
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)CC=1C=2C(NC1)=CC=CC2
Compound: His-Ser-Gln
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Ala-Ala-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C
Compound: His-Ser-Glu
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Ala-Ala-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C
Compound: juglone
SMILES: Oc1cccc2C(=O)C=CC(=O)c12
Compound: His-Ser-Gly
SMILES: O=C(N[C@@H](CO)C(=O)NCC(O)=O)[C@@H](N)CC=1NC=NC1
Compound: Ala-Arg-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-His
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O
Compound: Ala-Arg-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CO)[C@H](CC)C
Compound: Ala-Arg-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CO
Compound: Ala-Arg-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CO
Compound: Ala-Arg-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)C(O)=O
Compound: protoaphin aglucone
SMILES: C[C@H]1O[C@H](C)C2=C([C@@H]1O)C(=O)c1c(c(O)cc(O)c1-c1c3[C@H](O)[C@@H](C)O[C@H](C)c3c(O)c3c(O)cc(O)cc13)C2=O
Compound: His-Ser-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CO)C(O)=O)C
Compound: Ala-Arg-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Phe
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O
Compound: Ala-Arg-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CO
Compound: Ala-Arg-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Ser
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CO)C(O)=O
Compound: Ala-Arg-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CO)C(O)=O)C
Compound: Ala-Arg-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=3NC=NC3)CO
Compound: Ala-Arg-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Tyr
SMILES: OC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O
Compound: Ala-Arg-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Ser-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CO
Compound: Ala-Arg-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)C(O)=O)C
Compound: His-Thr-Ala
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](C)C(O)=O)C
Compound: Ala-Arg-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Thr-Arg
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C
Compound: Ala-Arg-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: 1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide
SMILES: [Br-].Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1
Compound: His-Thr-Asn
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC(=O)N)C(O)=O)C
Compound: Ala-Arg-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Thr-Asp
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC(O)=O)C(O)=O)C
Compound: Ala-Arg-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Thr-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)[C@H](O)C)C(O)=O
Compound: Ala-Arg-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Thr-Gln
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCC(=O)N)C(O)=O)C
Compound: Ala-Arg-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: His-Thr-Glu
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C
Compound: Ala-Arg-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N
Compound: Ala-Asn-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Thr-Gly
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)NCC(O)=O)C
Compound: Ala-Asn-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Thr-His
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O)C
Compound: Ala-Asn-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Thr-Ile
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H]([C@H](CC)C)C(O)=O)C
Compound: Ala-Asn-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Thr-Leu
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC(C)C)C(O)=O)C
Compound: Ala-Asn-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N)C(O)=O
Compound: His-Thr-Lys
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CCCCN)C(O)=O)C
Compound: 1-palmitoyl-sn-glycerol 3-phosphate
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Compound: Ala-Asn-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Thr-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)[C@H](O)C)C(O)=O)C
Compound: His-Thr-Phe
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)C
Compound: Ala-Asn-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Thr-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)[C@H](O)C
Compound: Ala-Asn-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: Ala-Asn-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Thr-Ser
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CO)C(O)=O)C
Compound: His-Thr-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H]([C@H](O)C)C(O)=O)C
Compound: Ala-Asn-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N)[C@H](CC)C
Compound: (-)-neodihydrocarveol
SMILES: C[C@H]1CC[C@@H](C[C@H]1O)C(C)=C
Compound: 3-Methoxybenzyl alcohol
SMILES: COc1cccc(CO)c1
Compound: His-Thr-Trp
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(O)=O)C
Compound: Ala-Asn-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: Ala-Asn-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Thr-Tyr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O)C
Compound: Ala-Asn-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N)C(O)=O)C
Compound: His-Thr-Val
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](C(C)C)C(O)=O)C
Compound: His-Trp-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: Ala-Asn-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: Ala-Asn-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Trp-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: (R)-2-hydroxyglutarate(2-)
SMILES: O[C@H](CCC([O-])=O)C([O-])=O
Compound: Ala-Asn-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Trp-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: Ala-Asn-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N)C(O)=O)C
Compound: His-Trp-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: His-Trp-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3)C(O)=O
Compound: Ala-Asn-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: Ala-Asn-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: His-Trp-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: His-Trp-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: Ala-Asn-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)N
Compound: alpha,beta-didehydrotryptophan
SMILES: C1(=CNC2=C1C=CC=C2)\C=C(\C(=O)O)/N
Compound: Ala-Asp-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Trp-Gly
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)NCC(O)=O)[C@@H](N)CC=3NC=NC3
Compound: Ala-Asp-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Trp-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC=3C=4C(NC3)=CC=CC4
Compound: Ala-Asp-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Trp-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: Ala-Asp-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Trp-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: Ala-Asp-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O)C(O)=O
Compound: His-Trp-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: Ala-Asp-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Trp-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3)C(O)=O)C
Compound: His-Trp-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC=3C=4C(NC3)=CC=CC4
Compound: Ala-Asp-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: Ala-Asp-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Trp-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC=3C=4C(NC3)=CC=CC4
Compound: Ala-Asp-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O)[C@H](CC)C
Compound: His-Trp-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: His-Trp-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: Ala-Asp-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Trp-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=3NC=NC3)CC=4C=5C(NC4)=CC=CC5
Compound: Ala-Asp-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: Ala-Asp-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O)C(O)=O)C
Compound: His-Trp-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC=3C=4C(NC3)=CC=CC4
Compound: Ala-Asp-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Trp-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2C=3C(NC2)=CC=CC3
Compound: Ala-Asp-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O)C(O)=O)C
Compound: His-Tyr-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: Ala-Asp-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Tyr-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: D-octopine
SMILES: C[C@@H](N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O
Compound: His-Tyr-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: Ala-Asp-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: Ala-Asp-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
Compound: His-Tyr-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: Ala-Cys-Ala
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](C)C(O)=O
Compound: His-Tyr-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2)C(O)=O
Compound: Ala-Cys-Arg
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Compound: His-Tyr-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: Ala-Cys-Asn
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: His-Tyr-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: Ala-Cys-Asp
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: His-Tyr-Gly
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(O)=O)[C@@H](N)CC=2NC=NC2
Compound: Ala-Cys-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CS)C(O)=O
Compound: His-Tyr-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC3=CC=C(O)C=C3
Compound: Ala-Cys-Gln
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: His-Tyr-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: His-Tyr-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: Ala-Cys-Glu
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Ala-Cys-His
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC=1NC=NC1)C(O)=O
Compound: His-Tyr-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: beta-L-arabinose 1-phosphate
SMILES: O[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O
Compound: Ala-Cys-Ile
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H]([C@H](CC)C)C(O)=O
Compound: His-Tyr-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2)C(O)=O)C
Compound: His-Tyr-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC3=CC=C(O)C=C3
Compound: Ala-Cys-Leu
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: His-Tyr-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC3=CC=C(O)C=C3
Compound: Ala-Cys-Lys
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: His-Tyr-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: Ala-Cys-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CS)C(O)=O)C
Compound: Ala-Cys-Phe
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
Compound: His-Tyr-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2)C(O)=O)C
Compound: 12-dehydrotetracycline
SMILES: [H][C@@]12CC3=C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
Compound: His-Tyr-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=3NC=NC3)CC4=CC=C(O)C=C4
Compound: Ala-Cys-Pro
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N1[C@H](CCC1)C(O)=O
Compound: Ala-Cys-Ser
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CO)C(O)=O
Compound: His-Tyr-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)CC3=CC=C(O)C=C3
Compound: Ala-Cys-Thr
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: His-Tyr-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=C(O)C=C2
Compound: Ala-Cys-Trp
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O
Compound: His-Val-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: His-Val-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Cys-Tyr
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
Compound: His-Val-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Cys-Val
SMILES: SC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: His-Val-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Gln-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C)C(O)=O
Compound: Ala-Gln-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Gln-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: Ala-Gln-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: 3-Methoxytropolone
SMILES: COc1ccccc(=O)c1O
Compound: His-Val-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Gln-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N)C(O)=O
Compound: Ala-Gln-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)C(C)C
Compound: Ala-Gln-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Gln-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Gln-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: O-phospho-L-serine
SMILES: N[C@@H](COP(O)(O)=O)C(O)=O
Compound: Ala-Gln-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C)C(O)=O)C
Compound: Ala-Gln-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)C(C)C
Compound: Ala-Gln-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)C(C)C
Compound: Ala-Gln-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N)C(O)=O)C
Compound: His-Val-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Gln-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C
Compound: Ala-Gln-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N
Compound: His-Val-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=3NC=NC3)C(C)C
Compound: His-Val-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2NC=NC2)C(C)C
Compound: Ala-Gln-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N)C(O)=O)C
Compound: His-Val-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(C)C