MonarchInit/C3PO huggingface dataset:
Compound: lipoic acid
SMILES: OC(=O)CCCCC1CCSS1
Compound: Tyr-Ala-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C
Compound: Tyr-Ala-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)[C@H](CC)C
Compound: Tyr-Ala-Leu
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)CC(C)C
Compound: Tyr-Ala-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C
Compound: Tyr-Ala-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)C(O)=O)C
Compound: Tyr-Ala-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C
Compound: Tyr-Ala-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C
Compound: Tyr-Ala-Ser
SMILES: O=C(N[C@H](C(=O)N[C@@H](CO)C(O)=O)C)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Ala-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)C(O)=O)C
Compound: Tyr-Ala-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)C
Compound: 4alpha-methyllathosterone
SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Compound: Tyr-Ala-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C
Compound: Tyr-Ala-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C
Compound: Tyr-Arg-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N)C(O)=O
Compound: Tyr-Arg-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Gly
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(=O)NCC(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: 5beta-cholestane-3alpha,7alpha,12alpha-triol
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C
Compound: Tyr-Arg-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCCN=C(N)N
Compound: Tyr-Arg-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N)C(O)=O)C
Compound: Tyr-Arg-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCCN=C(N)N
Compound: Tyr-Arg-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCCN=C(N)N
Compound: Tyr-Arg-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Arg-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)CCCN=C(N)N
Compound: dGTP
SMILES: NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1
Compound: Tyr-Arg-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCCN=C(N)N
Compound: Tyr-Arg-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Asn-Ala
SMILES: O=C(N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Asn-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N
Compound: Tyr-Asn-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N
Compound: Tyr-Asn-Asp
SMILES: O=C(N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Asn-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N)C(O)=O
Compound: Tyr-Asn-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N
Compound: Tyr-Asn-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N
Compound: Tyr-Asn-Gly
SMILES: O=C(N[C@@H](CC(=O)N)C(=O)NCC(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Asn-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(=O)N
Compound: Tyr-Asn-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N)[C@H](CC)C
Compound: Tyr-Asn-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N
Compound: Tyr-Asn-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N
Compound: Tyr-Asn-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N)C(O)=O)C
Compound: Tyr-Asn-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(=O)N
Compound: Tyr-Asn-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(=O)N
Compound: Tyr-Asn-Ser
SMILES: O=C(N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Asn-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N)C(O)=O)C
Compound: Tyr-Asn-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)CC(=O)N
Compound: Tyr-Asn-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(=O)N
Compound: Tyr-Asn-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N
Compound: Tyr-Asp-Ala
SMILES: O=C(N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Asp-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O
Compound: Tyr-Asp-Asn
SMILES: O=C(N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Asp-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Asp-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O)C(O)=O
Compound: Tyr-Asp-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O
Compound: Tyr-Asp-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O
Compound: Tyr-Asp-Gly
SMILES: O=C(N[C@@H](CC(O)=O)C(=O)NCC(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: (1S,4R)-fenchone
SMILES: CC1(C)[C@@H]2CC[C@@](C)(C2)C1=O
Compound: Tyr-Asp-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(O)=O
Compound: Tyr-Asp-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O)[C@H](CC)C
Compound: Tyr-Asp-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O
Compound: Tyr-Asp-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O
Compound: Tyr-Asp-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O)C(O)=O)C
Compound: Tyr-Asp-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(O)=O
Compound: Tyr-Asp-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(O)=O
Compound: Tyr-Asp-Ser
SMILES: O=C(N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Asp-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O)C(O)=O)C
Compound: Tyr-Asp-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)CC(O)=O
Compound: L-arabinonate
SMILES: OC[C@H](O)[C@H](O)[C@@H](O)C([O-])=O
Compound: Tyr-Asp-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(O)=O
Compound: Tyr-Asp-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(O)=O
Compound: Tyr-Cys-Ala
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(O)=O
Compound: Tyr-Cys-Arg
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Compound: Tyr-Cys-Asn
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Tyr-Cys-Asp
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Tyr-Cys-Cys
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(O)=O
Compound: Tyr-Cys-Gln
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Tyr-Cys-Glu
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Tyr-Cys-Gly
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)NCC(O)=O
Compound: Tyr-Cys-His
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O
Compound: Tyr-Cys-Ile
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@H](CC)C)C(O)=O
Compound: Tyr-Cys-Leu
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: Tyr-Cys-Lys
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: Tyr-Cys-Met
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCSC)C(O)=O
Compound: Tyr-Cys-Phe
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O
Compound: Tyr-Cys-Pro
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N2[C@H](CCC2)C(O)=O
Compound: Tyr-Cys-Ser
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(O)=O
Compound: Tyr-Cys-Thr
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: Tyr-Cys-Trp
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(O)=O
Compound: Tyr-Cys-Tyr
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O
Compound: Tyr-Cys-Val
SMILES: SC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: Tyr-Gln-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N)C(O)=O
Compound: Tyr-Gln-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Gly
SMILES: O=C(N[C@@H](CCC(=O)N)C(=O)NCC(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: monodehydro-L-ascorbic acid
SMILES: [H][C@@]1(OC(=O)C(O)=C1[O])[C@@H](O)CO
Compound: Tyr-Gln-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(=O)N
Compound: Tyr-Gln-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N)C(O)=O)C
Compound: Tyr-Gln-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(=O)N
Compound: Tyr-Gln-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(=O)N
Compound: Tyr-Gln-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Gln-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)CCC(=O)N
Compound: dihydrostreptomycin 6-phosphate
SMILES: CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)CO)O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N
Compound: Tyr-Gln-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(=O)N
Compound: Tyr-Gln-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)N
Compound: Tyr-Glu-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O)C(O)=O
Compound: Tyr-Glu-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Gly
SMILES: O=C(N[C@@H](CCC(O)=O)C(=O)NCC(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Glu-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(O)=O
Compound: Tyr-Glu-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O)C(O)=O)C
Compound: Tyr-Glu-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(O)=O
Compound: Tyr-Glu-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(O)=O
Compound: Tyr-Glu-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Glu-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O)C(O)=O)C
Compound: Tyr-Glu-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)CCC(O)=O
Compound: 1D-myo-inositol 1,2,4,5,6-pentakisphosphate
SMILES: O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Compound: Tyr-Glu-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(O)=O
Compound: Tyr-Glu-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(O)=O
Compound: Tyr-Gly-Ala
SMILES: O=C(NCC(=O)N[C@@H](C)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Gly-Arg
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
Compound: Tyr-Gly-Asn
SMILES: O=C(NCC(=O)N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Gly-Asp
SMILES: O=C(NCC(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Gly-Cys
SMILES: SC[C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O
Compound: Tyr-Gly-Gln
SMILES: O=C(NCC(=O)N[C@@H](CCC(=O)N)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Gly-Glu
SMILES: O=C(NCC(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Gly-His
SMILES: O=C(NCC(=O)N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](N)CC2=CC=C(O)C=C2
Compound: cis,cis-muconic acid
SMILES: OC(=O)\C=C/C=C\C(O)=O
Compound: Tyr-Gly-Ile
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Gly-Leu
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Gly-Lys
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Gly-Met
SMILES: S(CC[C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O)C
Compound: Tyr-Gly-Phe
SMILES: O=C(NCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](N)CC2=CC=C(O)C=C2
Compound: Tyr-Gly-Pro
SMILES: OC(=O)[C@@H]1N(CCC1)C(=O)CNC(=O)[C@@H](N)CC2=CC=C(O)C=C2
Compound: Tyr-Gly-Ser
SMILES: O=C(NCC(=O)N[C@@H](CO)C(O)=O)[C@@H](N)CC1=CC=C(O)C=C1
Compound: Tyr-Gly-Thr
SMILES: O[C@@H]([C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O)C
Compound: Tyr-Gly-Trp
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Tyr-Gly-Tyr
SMILES: O=C(NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](N)CC2=CC=C(O)C=C2
Compound: 1,4-benzoquinone
SMILES: O=C1C=CC(=O)C=C1
Compound: Tyr-Gly-Val
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(C)C
Compound: Tyr-His-Ala
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CC2=CC=C(O)C=C2
Compound: Tyr-His-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2)C(O)=O
Compound: Tyr-His-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Gly
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(=O)NCC(O)=O)[C@@H](N)CC2=CC=C(O)C=C2
Compound: Tyr-His-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC=3NC=NC3
Compound: 3-hydroxypropionate
SMILES: OCCC([O-])=O
Compound: Tyr-His-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2)C(O)=O)C
Compound: Tyr-His-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC=3NC=NC3
Compound: Tyr-His-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC=3NC=NC3
Compound: Tyr-His-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-His-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2)C(O)=O)C
Compound: Tyr-His-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)CC=4NC=NC4
Compound: Tyr-His-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC=3NC=NC3
Compound: N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Compound: Tyr-His-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2NC=NC2
Compound: Tyr-Ile-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C)C(O)=O
Compound: Tyr-Ile-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)[C@H](CC)C
Compound: (S)-N-methylcanadine
SMILES: [H][C@@]12Cc3ccc(OC)c(OC)c3C[N+]1(C)CCc1cc3OCOc3cc21
Compound: Tyr-Ile-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Leu
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: Tyr-Ile-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C)C(O)=O)C
Compound: Tyr-Ile-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)[C@H](CC)C
Compound: Tyr-Ile-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)[C@H](CC)C
Compound: Tyr-Ile-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Ile-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)[C@H](CC)C
Compound: Tyr-Ile-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)[C@H](CC)C
Compound: hydroxymalonic acid
SMILES: OC(C(O)=O)C(O)=O
Compound: Tyr-Ile-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Tyr-Leu-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C)C(O)=O
Compound: Tyr-Leu-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(C)C
Compound: 4',5,7-trihydroxy-3'-methoxyflavone
SMILES: COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Compound: Tyr-Leu-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C)C(O)=O)C
Compound: Tyr-Leu-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(C)C
Compound: Tyr-Leu-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(C)C
Compound: Tyr-Leu-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Leu-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)CC(C)C
Compound: Tyr-Leu-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CC(C)C
Compound: 3-ADP-glyceric acid
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCC(O)C(O)=O)[C@@H](O)[C@H]1O
Compound: Tyr-Leu-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C
Compound: Tyr-Lys-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN)C(O)=O
Compound: Tyr-Lys-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCCCN
Compound: Tyr-Lys-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN)C(O)=O)C
Compound: Tyr-Lys-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCCCN
Compound: Tyr-Lys-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCCCN
Compound: Tyr-Lys-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Lys-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)CCCCN
Compound: Tyr-Lys-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCCCN
Compound: cyclotriphosphoric acid
SMILES: OP1(=O)OP(O)(=O)OP(O)(=O)O1
Compound: Tyr-Lys-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCCN
Compound: Tyr-Met-Ala
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(O)=O)C
Compound: Tyr-Met-Arg
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C
Compound: Homoormosanine
SMILES: N12C3[C@@]4(C[C@@](C[C@@]3(CCC1)[H])([C@@]5(N(C4)CCCC5)[H])[H])[C@@]6(N(C2)CCCC6)[H]
Compound: Neurine
SMILES: [OH-].[N+](C)(C)(C)C=C
Compound: N-Methylnicotinium
SMILES: [NH+]1([C@@H](CCC1)C2=C[N+](=CC=C2)C)C
Compound: O-Desmethylquinidine
SMILES: O[C@@H](C1N2CC(C(C1)CC2)C=C)C3=C4C(=NC=C3)C=CC(O)=C4
Compound: Amalorin
SMILES: O=C1N2C=3C(=C4C2=CC=CC4=O)C=CNC3C=C1
Compound: 1,2,3,4-Tetrahydro-beta-carboline-1,3-dicarboxylic acid
SMILES: OC(=O)C1NC(C=2NC=3C(C2C1)=CC=CC3)C(O)=O
Compound: 3beta,6beta-Dihydroxynortropane
SMILES: OC1C2NC(C1)CC(O)C2
Compound: Calystegine C1
SMILES: OC12NC(C(O)C1)C(O)C(O)C2O
Compound: Nor-psi-tropine
SMILES: OC1CC2NC(CC2)C1
Compound: 4-Acetamidobenzaldehyde
SMILES: O=C(NC1=CC=C(C=C1)C=O)C
Compound: Emodicacid
SMILES: O=C1C=2C(C(=O)C3=C1C=C(O)C=C3O)=C(O)C=CC2C(O)=O
Compound: 2-Aminohippuric acid
SMILES: O=C(NCC(O)=O)C=1C(N)=CC=CC1
Compound: N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine
SMILES: OC(=O)[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCCNC(=O)C2=C(O)C(O)=CC=C2
Compound: Epinephrine glucuronide
SMILES: O1[C@@H](OC2=C(O)C=C([C@@H](O)CNC)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: alpha-Cyclohexylmandelic acid
SMILES: OC(C1CCCCC1)(C2=CC=CC=C2)C(O)=O
Compound: Benzyl sulfate
SMILES: S(OCC1=CC=CC=C1)(O)(=O)=O
Compound: Carboxytolbutamide
SMILES: S(=O)(=O)(NC(=O)NCCCC)C1=CC=C(C=C1)C(O)=O
Compound: N4-Acetylsulfadoxine
SMILES: S(=O)(=O)(NC=1N=CN=C(OC)C1OC)C2=CC=C(NC(=O)C)C=C2
Compound: N4-Acetylsulfapyridine
SMILES: S(=O)(=O)(NC=1N=CC=CC1)C2=CC=C(NC(=O)C)C=C2
Compound: Ethyl-N-ethylanthranilic acid
SMILES: O(C(=O)C=1C(NCC)=CC=CC1)CC
Compound: 3-Desmethyl-5-deshydroxyscleroin
SMILES: O(C1=C(O)C(O)=C(C(=O)C2=CC=CC=C2)C=C1)C
Compound: Ketoprofen glucuronide
SMILES: O1[C@@H](OC(=O)C(C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 2-Benzoyl-5-methoxybenzoquinone
SMILES: O(C=1C(=O)C=C(C(=O)C2=CC=CC=C2)C(=O)C1)C
Compound: 4-Fluoro-3-phenoxybenzoic acid
SMILES: FC1=C(OC2=CC=CC=C2)C=C(C=C1)C(O)=O
Compound: Bisphenol P
SMILES: OC1=CC=C(C(C2=CC=C(C(C3=CC=C(O)C=C3)(C)C)C=C2)(C)C)C=C1
Compound: Bisphenol Z
SMILES: OC1=CC=C(C2(CCCCC2)C3=CC=C(O)C=C3)C=C1
Compound: Paraoxon-methyl
SMILES: P(OC1=CC=C([N+]([O-])=O)C=C1)(OC)(OC)=O
Compound: 1-Phenylurea-3-hexanoic acid
SMILES: OC(=O)CCCCCNC(=O)NC1=CC=CC=C1
Compound: Erythrohydrobupropion
SMILES: ClC=1C=C([C@@H](O)[C@@H]([NH2+]C(C)(C)C)C)C=CC1
Compound: Fluvoxamino acid
SMILES: FC(F)(F)C1=CC=C(\C(=N\OCCN)\CCCC(O)=O)C=C1
Compound: Methyl n-acetylanthranilate
SMILES: O(C(=O)C=1C(NC(=O)C)=CC=CC1)C
Compound: Methyl n-formylanthranilate
SMILES: O(C(=O)C=1C(NC=O)=CC=CC1)C
Compound: 2-(Ethylamino)-4,5-dihydroxybenzamide
SMILES: OC=1C=C(NCC)C(=CC1O)C(=O)N
Compound: Hexyl benzoate
SMILES: O(CCCCCC)C(=O)C1=CC=CC=C1
Compound: Mono-2-ethyl-5-carboxypentyl terephthalate
SMILES: O(CC(CCCC(O)=O)CC)C(=O)C1=CC=C(C=C1)C(O)=O
Compound: Mono-(2-ethylhexyl) terephthalate
SMILES: O(CC(CCCC)CC)C(=O)C1=CC=C(C=C1)C(O)=O
Compound: Mono-carboxy isononyl phthalate
SMILES: O(C(CCCCCCCC(O)=O)C)C(=O)C=1C(=CC=CC1)C(O)=O
Compound: lanosterol
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C
Compound: Mono-carboxy isooctyl phthalate
SMILES: O(C(CCCCCCC(O)=O)C)C(=O)C=1C(=CC=CC1)C(O)=O
Compound: Benzyl salicylate
SMILES: O(CC1=CC=CC=C1)C(=O)C=2C(O)=CC=CC2
Compound: bis(2-Ethylhexyl)phthalic acid
SMILES: OC(=O)C=1C(CC(CCCC)CC)=C(CC(CCCC)CC)C=CC1C(O)=O
Compound: Methyl-4-hydroxybenzoate
SMILES: [O-]C1=CC(=C(C=C1)C(O)=O)C
Compound: 3,5-Dichlorosalicylicacid
SMILES: ClC=1C(O)=C(C=C(Cl)C1)C(O)=O
Compound: Ethyl 3,4,5-trimethoxybenzoate
SMILES: O(C1=C(OC)C=C(C=C1OC)C(OCC)=O)C
Compound: 2,3,4,5-Tetrabromobenzoic acid
SMILES: BrC=1C(=CC(Br)=C(Br)C1Br)C(O)=O
Compound: 2,4,6-trihydroxybenzoic acid
SMILES: OC(=O)C1=C(O)C=C(O)C=C1O
Compound: methyl 3-hydroxybenzoate
SMILES: COC(=O)C1=CC=CC(O)=C1
Compound: PCB138
SMILES: ClC1=C(C=2C(Cl)=CC(Cl)=C(Cl)C2)C=CC(Cl)=C1Cl
Compound: trans-zeatin
SMILES: C\C(CO)=C/CNC1=C2N=CNC2=NC=N1
Compound: PCB180
SMILES: ClC=1C(C=2C(Cl)=CC(Cl)=C(Cl)C2)=CC(Cl)=C(Cl)C1Cl
Compound: O-Desmethyltramadol
SMILES: O[C@]1([C@H](CCCC1)CN(C)C)C2=CC(O)=CC=C2
Compound: (2-Chlorophenyl)diphenylmethane
SMILES: ClC1=CC=C(C2CCC3(OCCO3)CC2)C=C1
Compound: Adriamycinone
SMILES: O[C@@]1(C[C@H](O)C2=C(C1)C(O)=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)C(=O)CO
Compound: Pristimerol
SMILES: O(C(=O)[C@]1(C[C@]2([C@]3([C@](CC[C@]2(CC1)C)(C=4[C@@](CC3)(C=5C(CC4)=C(C(O)=C(O)C5)C)C)C)C)[H])C)C
Compound: p-Hydroxyprimidone
SMILES: O=C1NCNC(=O)C1(CC)C2=CC=C(O)C=C2
Compound: 4-Methoxy-2-allylphenol
SMILES: O(C1=CC(CC=C)=C(O)C=C1)C
Compound: 5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone
SMILES: O1C(CCC1=O)CC2=CC(OC)=C(O)C=C2
Compound: Dihydroconiferyl aldehyde
SMILES: O(C=1C=C(CCC=O)C=CC1O)C
Compound: Homocapsaicin
SMILES: O=C(NCC1=CC(OC)=C(O)C=C1)CCCCC/C=C/C(C)C
Compound: D-serine
SMILES: N[C@H](CO)C(O)=O
Compound: alpha-Hydroxymetoprolol
SMILES: O(CC(O)CNC(C)C)C1=CC=C(C(O)COC)C=C1
Compound: 2-Methoxyresorcinol
SMILES: O(C1=C(O)C=CC=C1O)C
Compound: 2,4-Dichlorophenoxyaceticacid
SMILES: ClC(OC1=CC=C(Cl)C=C1)C(O)=O
Compound: 3,4-Dehydrochlorambucil
SMILES: ClCCN(C1=CC=C(C=C1)/C=C/CC(O)=O)CCCl
Compound: Bisphenol AP
SMILES: OC1=CC=C(C(C2=CC=C(O)C=C2)(C3=CC=CC=C3)C)C=C1
Compound: N-Acetylgalactosamine 6-sulfate
SMILES: S(OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](NC(=O)C)C=O)(O)(=O)=O
Compound: Tetraphyllin B sulfate
SMILES: S(OC1CC(OC2OC(C(O)C(O)C2O)CO)(C=C1)C#N)(O)(=O)=O
Compound: Methyl D-lyxofuranoside
SMILES: O1[C@@H]([C@H](O)[C@H](O)C1OC)CO
Compound: Verbasoside
SMILES: O([C@H]1[C@H](O)[C@H](O[C@@H](OCCC2=CC(O)=C(O)C=C2)[C@@H]1O)CO)[C@@H]3O[C@H]([C@H](O)[C@@H](O)[C@H]3O)C
Compound: N-Glycolyl-mannosamine 6-phosphate
SMILES: P(OC[C@H]1O[C@@H](O)[C@@H](NC(=O)CO)[C@@H](O)[C@@H]1O)(O)(O)=O
Compound: testosterone acetate
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(C)=O
Compound: Lyxulose
SMILES: O1C(O)([C@H](O)[C@@H](O)C1)CO
Compound: 5-Methylthioribose 1-phosphate
SMILES: S(CC1OC(OP(O)(O)=O)[C@H](O)[C@@H]1O)C
Compound: Caffeic acid 4-O-glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(O)C=C(C=C2)/C=C/C(O)=O)C(O)=O
Compound: N-Acetyl-9-O-lactoylneuraminic acid
SMILES: O1[C@]([C@H](NC(=O)C)[C@@H](O)C[C@@]1(O)C(O)=O)([C@H](O)[C@H](O)COC(=O)C(O)C)[H]
Compound: 1-Deoxy-D-ribitol
SMILES: OC(C(O)CO)C(O)C
Compound: D-Erythro-D-galacto-octitol
SMILES: OC(C(O)C(O)C(O)CO)C(O)C(O)CO
Compound: Isoglobotriaose
SMILES: O([C@H]1C[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]2O)CO
Compound: 10,11-DiHDPE
SMILES: OC(C(O)C/C=C\C/C=C\C/C=C\CC)C/C=C\C/C=C\CCC(O)=O
Compound: 13,14-DiHDPE
SMILES: OC(C(O)C/C=C\C/C=C\CC)C/C=C\C/C=C\C/C=C\CCC(O)=O
Compound: 16,17-DiHDPE
SMILES: OC(C(O)C/C=C\CC)C/C=C\C/C=C\C/C=C\C/C=C\CCC(O)=O
Compound: taurochenodeoxycholic acid
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O
Compound: 16,17-Epoxy-DHA
SMILES: O1C(C1/C=C/C=C/C=C\C/C=C\C/C=C\CCC(O)=O)C/C=C\CC
Compound: 4,5-DiHDPE
SMILES: OC(C(O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CCC(O)=O
Compound: 7,8-DiHDPE
SMILES: OC(C(O)C/C=C\C/C=C\C/C=C\C/C=C\CC)C/C=C\CCC(O)=O
Compound: 7(8)-EpDPE
SMILES: O1C(C1C/C=C\C/C=C\C/C=C\C/C=C\CC)C/C=C\CCC(O)=O
Compound: 7R-Maresin 1
SMILES: O[C@H](C/C=C\CCC(O)=O)/C=C/C=C/C=C/[C@@H](O)C/C=C\C/C=C\CC
Compound: 10,11-Epoxy-chlorovulone I
SMILES: Cl[C@]12O[C@H]1[C@@](O)(/C(/C2=O)=C\C=C/CCCC(OC)=O)C/C=C\CCCCC
Compound: 7-Acetoxy-7,8-dihydrobromovulone II
SMILES: BrC1=C[C@@](O)([C@@]([C@@H](OC(=O)C)/C=C/CCCC(OC)=O)(C1=O)[H])C/C=C\CCCCC
Compound: Bromovulone I
SMILES: BrC1=C[C@](O)(C/C=C\CCCCC)/C(/C1=O)=C\C=C/CCCC(OC)=O
Compound: Clavirin II
SMILES: O([C@]1(C/C=C\CCCCC)/C(/C(=O)C=C1)=C\C=O)C(=O)C
Compound: 5R,6S-EpETrE
SMILES: O1[C@@H]([C@@H]1C/C=C\C/C=C\C/C=C\CCCCC)CCCC(O)=O
Compound: 5S,6R-EpETrE
SMILES: O1[C@H]([C@H]1C/C=C\C/C=C\C/C=C\CCCCC)CCCC(O)=O
Compound: 11,18-Di-HEPE
SMILES: OC(C/C=C\C/C=C\CCCC(O)=O)/C=C/C=C\C=C\C(O)CC
Compound: 11S-HEPE
SMILES: O[C@@H](C/C=C\C/C=C\CCCC(O)=O)/C=C/C=C\C/C=C\CC
Compound: 12,18-Di-HEPE
SMILES: OC(CC)/C=C/C=C\CC(O)/C=C/C=C\C/C=C\CCCC(O)=O
Compound: 12-Oxo-Resolvin E1
SMILES: O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/C(=O)C/C=C\C=C\[C@@H](O)CC
Compound: 12R-HEPE
SMILES: O[C@H](C/C=C\C/C=C\CC)/C=C/C=C\C/C=C\CCCC(O)=O
Compound: 15S-HpEPE
SMILES: O(O)C(C/C=C\CC)/C=C/C=C\C/C=C\C/C=C\CCCC(O)=O
Compound: 18S-Resolvin E3
SMILES: O[C@H]([C@H](O)/C=C/C=C/C=C\C/C=C\C/C=C\CCCC(O)=O)CC
Compound: 19-Hydroxy-Resolvin E1
SMILES: O[C@@H](CCCC(O)=O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)C(O)C
Compound: 20-Hydroxy-Resolvin E1
SMILES: O[C@@H](CCCC(O)=O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)CCO
Compound: 5,6,18-TriHEPE
SMILES: OC(CCCC(O)=O)C(O)/C=C/C=C/C=C/C\C=C/C=C\C(O)CC
Compound: 5S-HpEPE
SMILES: O(O)[C@@H](CCCC(O)=O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 6-trans-5,12,18-triHEPE
SMILES: OC(CCCC(O)=O)\C=C\C=C\C=C\C(O)C\C=C/C=C\C(O)CC
Compound: 8,18-Di-HEPE
SMILES: OC(C/C=C\CCCC(O)=O)/C=C/C=C\C/C=C\C=C\C(O)CC
Compound: 8R-HEPE
SMILES: O[C@H](C/C=C\CCCC(O)=O)/C=C/C=C\C/C=C\C/C=C\CC
Compound: 9S-HEPE
SMILES: O[C@@H](C/C=C\C/C=C\C/C=C\CC)/C=C/C=C\CCCC(O)=O
Compound: 10,11-Dihydro-12-oxo-Resolvin E1
SMILES: O[C@@H](CCCC(O)=O)/C=C\C=C\CCC(=O)C/C=C\C=C\[C@@H](O)CC
Compound: 10,11-Dihydro-Resolvin E1
SMILES: OC(CC/C=C/C=C\[C@@H](O)CCCC(O)=O)C/C=C\C=C\[C@@H](O)CC
Compound: 11,12-DiHETE
SMILES: OC(C(O)C/C=C\C/C=C\CC)C/C=C\C/C=C\CCCC(O)=O
Compound: 11-HpETE
SMILES: O(O)C(C/C=C\C/C=C\CCCC(O)=O)/C=C/C=C\CCCCC
Compound: 3R-HETE
SMILES: O[C@H](C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CC(O)=O
Compound: 5,12-DiHPETE
SMILES: O(O)C(CCCC(O)=O)/C=C/C=C/C=C/C(OO)C/C=C\CCCCC
Compound: 5,15-DiHPETE
SMILES: O(O)C(CCCCC)/C=C/C=C\C/C=C\C=C\C(OO)CCCC(O)=O
Compound: 5,6-DiHETE
SMILES: OC(C(O)C/C=C\C/C=C\C/C=C\C/C=C\CC)CCCC(O)=O
Compound: 5R-HETE
SMILES: O[C@H](CCCC(O)=O)/C=C/C=C\C/C=C\C/C=C\CCCCC
Compound: 5S,12S-DiHETE
SMILES: O[C@@H](CCCC(O)=O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CCCCC
Compound: 8,15-DiHPETE
SMILES: O(O)C(CCCCC)/C=C/C=C\C=C/C(OO)C/C=C\CCCC(O)=O
Compound: 8,9-DiHETE
SMILES: OC(C(O)C/C=C\C/C=C\C/C=C\CC)C/C=C\CCCC(O)=O
Compound: 9R-HETE
SMILES: O[C@H](C/C=C\C/C=C\CCCCC)/C=C/C=C\CCCC(O)=O
Compound: Methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate
SMILES: O1OC(CC1C(OO)/C=C/C(OO)CCCCC)/C=C/C=C/CCCC(OC)=O
Compound: 15-epi-15-F2t-IsoP
SMILES: O[C@@H]1[C@H]([C@H]([C@H](O)C1)/C=C/[C@H](O)CCCCC)C/C=C\CCCC(O)=O
Compound: 12-Keto-tetrahydro-LTB4
SMILES: O=C(CCCCCCCC)CC/C=C/C=C\[C@@H](O)CCCC(O)=O
Compound: LTB4 dimethyl amide
SMILES: O[C@@H](CCCC(=O)N(C)C)\C=C/C=C/C=C/[C@H](O)C/C=C\CCCCC
Compound: LTB4 ethanol amide
SMILES: O[C@@H](CCCC(=O)NCCO)\C=C/C=C/C=C/[C@H](O)C/C=C\CCCCC
Compound: 11R-HEDE
SMILES: O[C@H](CCCCCCCCCC(O)=O)/C=C/C=C\CCCCC
Compound: 11S-HEDE
SMILES: O[C@@H](CCCCCCCCCC(O)=O)/C=C/C=C\CCCCC
Compound: 15R-HEDE
SMILES: O[C@H](CCCCC)/C=C/C=C\CCCCCCCCCC(O)=O
Compound: 20-HeDE
SMILES: OCCCC/C=C\CCCCCCC/C=C\CCCCC(O)=O
Compound: Dichotellate B
SMILES: O([C@H](C/C=C\CCCCC)/C=C/C=C\C/C=C\CCCC(OC)=O)C(=O)CC(C)C
Compound: 11-Deoxy-11-methylene-15-keto-PGD2
SMILES: O[C@@H]1[C@@H]([C@H](C(C1)=C)/C=C/C(=O)CCCCC)C/C=C\CCCC(O)=O
Compound: 3-methyl-2-oxobutanoic acid
SMILES: CC(C)C(=O)C(O)=O
Compound: 11-Deoxy-16,16-dimethyl-PGE2
SMILES: O[C@@H](C(CCCC)(C)C)\C=C\[C@@H]1[C@H](C(=O)CC1)C/C=C\CCCC(O)=O
Compound: 11-Deoxy-PGE2
SMILES: O=C1[C@@H]([C@H](CC1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(O)=O
Compound: 11-Deoxy-PGF1alpha
SMILES: O[C@@H]1[C@@H]([C@H](CC1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O)=O
Compound: 11-Deoxy-PGF2alpha
SMILES: O[C@@H]1[C@@H]([C@H](CC1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(O)=O
Compound: 13,14-Dihydro-19R-hydroxy-PGE1
SMILES: O[C@H]1[C@@H]([C@@H](CCCCCCC(O)=O)C(=O)C1)CC[C@@H](O)CCC[C@H](O)C
Compound: 15-Methyl-15S-PGE2
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@](O)(CCCCC)C
Compound: 15R-PGF2alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@H](O)CCCCC)C/C=C\CCCC(O)=O
Compound: 16,16-Dimethyl-PGF2beta
SMILES: O[C@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)C(CCCC)(C)C)C/C=C\CCCC(O)=O
Compound: 16-Phenyl-tetranor-PGE2
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)CC2=CC=CC=C2
Compound: 18-Acetoxy-PGF2alpha-11-acetate
SMILES: O([C@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)CCC(OC(=O)C)CC)C(=O)C
Compound: Renilla luciferin
SMILES: Oc1ccc(cc1)-c1cn2c(nc(Cc3ccccc3)c2=O)c(Cc2ccccc2)[nH]1
Compound: 19R-Hydroxy-PGA2
SMILES: O=C1[C@@H]([C@H](C=C1)/C=C/[C@@H](O)CCC[C@H](O)C)C/C=C\CCCC(O)=O
Compound: 19R-Hydroxy-PGB2
SMILES: O[C@@H](CCC[C@H](O)C)\C=C\C=1CCC(=O)C1C/C=C\CCCC(O)=O
Compound: 19R-Hydroxy-PGE1
SMILES: O[C@H]1[C@@H]([C@@H](CCCCCCC(O)=O)C(=O)C1)/C=C/[C@@H](O)CCC[C@H](O)C
Compound: 19R-Hydroxy-PGE2
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)CCC[C@H](O)C
Compound: 19R-Hydroxy-PGF1alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCC[C@H](O)C)CCCCCCC(O)=O
Compound: 19R-Hydroxy-PGF2alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCC[C@H](O)C)C/C=C\CCCC(O)=O
Compound: 1a,1b-Dihomo-15-deoxy-delta-12,14-PGD2
SMILES: O[C@@H]1[C@@H](/C(/C(=O)C1)=C\C=C\CCCCC)C/C=C\CCCCCC(O)=O
Compound: 1a,1b-Dihomo-PGJ2
SMILES: O=C1[C@@H]([C@@H](C/C=C\CCCCCC(O)=O)C=C1)/C=C/[C@@H](O)CCCCC
Compound: 1-Glyceryl-PGE2
SMILES: O[C@@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(OC[C@H](O)CO)=O)/C=C/[C@@H](O)CCCCC
Compound: N-benzyloxycarbonylglycine
SMILES: OC(=O)CNC(=O)OCc1ccccc1
Compound: 20-Ethyl-PGE2
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)CCCCCCC
Compound: 20-Hydroxy-PGD2
SMILES: O[C@@H]1[C@@H]([C@H](C(=O)C1)/C=C/[C@@H](O)CCCCCO)C/C=C\CCCC(O)=O
Compound: 20-Hydroxy-PGF2alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCCO)C/C=C\CCCC(O)=O
Compound: 2,3-Dinor-11beta-PGF2alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CC(O)=O
Compound: 2,3-Dinor-PGE1
SMILES: O[C@H]1[C@@H]([C@@H](CCCCC(O)=O)C(=O)C1)/C=C/[C@@H](O)CCCCC
Compound: 9-Deoxy-9-methylene-16,16-dimethyl -PGE2
SMILES: O[C@H]1[C@@H]([C@H](C(C1)=C)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)C(CCCC)(C)C
Compound: 9-Deoxy-9-methylene-PGE2
SMILES: O[C@H]1[C@@H]([C@H](C(C1)=C)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)CCCCC
Compound: D17 PGE1
SMILES: O[C@H]1[C@@H]([C@@H](CCCCCCC(O)=O)C(=O)C1)/C=C/[C@@H](O)C/C=C\CC
Compound: Dihomo-PGI2
SMILES: O/1[C@@]2([C@@]([C@H]([C@H](O)C2)/C=C/[C@@H](O)CCCCC)(C\C1=C\CCCCCC(O)=O)[H])[H]
Compound: Dinor-PGD2
SMILES: O[C@@H]1[C@@H]([C@H](C(=O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CC(O)=O
Compound: L-tryptophanamide
SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Compound: Dinor-PGF2alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CC(O)=O
Compound: PGE1 alcohol
SMILES: O[C@H]1[C@@H]([C@@H](CCCCCCCO)C(=O)C1)/C=C/[C@@H](O)CCCCC
Compound: PGE1-EA
SMILES: O[C@H]1[C@@H]([C@@H](CCCCCCC(=O)NCCO)C(=O)C1)/C=C/[C@@H](O)CCCCC
Compound: PGE2 ethanolamide
SMILES: O[C@@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(=O)NCCO)/C=C/[C@@H](O)CCCCC
Compound: PGE3 1,15-lactone
SMILES: O[C@H]1[C@]2([C@](C(=O)C1)(CC=CCCCC(O[C@H](C=C2)C/C=C\CC)=O)[H])[H]
Compound: prostaglandin F1beta
SMILES: O[C@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O)=O
Compound: PGF2alpha isopropyl ester
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(OC(C)C)=O
Compound: PGH2-EA
SMILES: O1O[C@]2([C@@H]([C@H]([C@@]1(C2)[H])C/C=C\CCCC(=O)NCCC)/C=C/[C@@H](O)CCCCC)[H]
Compound: PGI2-EA
SMILES: O/1[C@@]2([C@@]([C@H]([C@H](O)C2)/C=C/[C@@H](O)CCCCC)(C\C1=C\CCCC(=O)NCCO)[H])[H]
Compound: PGI3
SMILES: O/1[C@@]2([C@@]([C@H]([C@H](O)C2)/C=C/[C@@H](O)C/C=C\CC)(C\C1=C\CCCC(O)=O)[H])[H]
Compound: D-galactonic acid
SMILES: OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O
Compound: PGK1
SMILES: O=C1[C@@H]([C@H](C(=O)C1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O)=O
Compound: PGK2
SMILES: O=C1[C@@H]([C@H](C(=O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(O)=O
Compound: Tetranor-PGD1
SMILES: O[C@@H]1[C@@H]([C@H](C(=O)C1)/C=C/[C@@H](O)CCCCC)CCC(O)=O
Compound: Tetranor-PGDM
SMILES: O[C@@H]1[C@@H]([C@H](C(=O)C1)CCC(=O)CCCCC(O)=O)CCC(O)=O
Compound: Tetranor-PGE1
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)CCC(O)=O)/C=C/[C@@H](O)CCCCC
Compound: Tetranor-PGF1alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)CCC(O)=O
Compound: 11-Dehydro-2,3-dinor-TXB2
SMILES: O1[C@@H]([C@H]([C@@H](O)CC1=O)C/C=C\CC(O)=O)/C=C/[C@@H](O)CCCCC
Compound: 11-Dehydro-TXB3
SMILES: O1[C@@H]([C@H]([C@@H](O)CC1=O)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)C/C=C\CC
Compound: 2,3-dinor-TXB1
SMILES: CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1CCCCC(O)=O
Compound: TXA3
SMILES: O1[C@@]2([C@@H]([C@H](O[C@]1(C2)[H])/C=C/[C@@H](O)C/C=C\CC)C/C=C\CCCC(O)=O)[H]
Compound: piperazine-2,5-dione
SMILES: O=C1CNC(=O)CN1
Compound: 2-Amino-tetradecanoic acid
SMILES: OC(=O)C(N)CCCCCCCCCCCC
Compound: 2R-Aminohexadecanoic acid
SMILES: OC(=O)[C@H](N)CCCCCCCCCCCCCC
Compound: 3R-Aminononanoic acid
SMILES: OC(=O)C[C@H](N)CCCCCC
Compound: 10-Methyl-heptadecanoic acid
SMILES: OC(=O)CCCCCCCCC(CCCCCCC)C
Compound: 10-Methyl-hexadecanoic acid
SMILES: OC(=O)CCCCCCCCC(CCCCCC)C
Compound: 14-Methyl-8E-hexadecenoic acid
SMILES: OC(=O)CCCCCC\C=C\CCCCC(CC)C
Compound: 2,4-Dimethyl-tetradecanoic acid
SMILES: OC(=O)C(CC(CCCCCCCCCC)C)C
Compound: 2-Hexyl-2-decenoic acid
SMILES: OC(=O)\C(\CCCCCC)=C\CCCCCCC
Compound: 2-Propyl-tridecanoic acid
SMILES: OC(=O)C(CCCCCCCCCCC)CCC
Compound: 3,7-Dimethyl-2-octenoic acid
SMILES: OC(=O)\C=C(\CCCC(C)C)/C
Compound: orcinol
SMILES: Cc1cc(O)cc(O)c1
Compound: 3-Methyl-3Z-pentenoic acid
SMILES: OC(=O)C/C(/C)=C\C
Compound: 3-Methyl-heptanoic acid
SMILES: OC(=O)CC(CCCC)C
Compound: 3-Methyl-hexanoic acid
SMILES: OC(=O)CC(CCC)C
Compound: 3-Methyl-nonanoic acid
SMILES: OC(=O)CC(CCCCCC)C
Compound: 3-Methyl-octadecanoic acid
SMILES: OC(=O)CC(CCCCCCCCCCCCCCC)C
Compound: 3-tert-Butyl-3-butenoic acid
SMILES: OC(=O)CC(C(C)(C)C)=C
Compound: 4,14-Dimethyl-hexadecanoic acid
SMILES: OC(=O)CCC(CCCCCCCCCC(CC)C)C
Compound: 4,8-Dimethyl-dodecanoic acid
SMILES: OC(=O)CCC(CCCC(CCCC)C)C
Compound: 5-Methyl-2E-tridecenoic acid
SMILES: OC(=O)\C=C\CC(CCCCCCCC)C
Compound: 6-Methyl caprylic acid
SMILES: OC(=O)CCCCC(CC)C
Compound: galactarate(2-)
SMILES: O[C@@H]([C@@H](O)[C@H](O)C([O-])=O)[C@@H](O)C([O-])=O
Compound: Anteisomyristic acid
SMILES: OC(=O)CCCCCCCCCC(CC)C
Compound: Isopentacosanoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCCCCCCCC(C)C
Compound: Phthioceranic acid (C43)
SMILES: OC(=O)[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CCCCCCCCCCCCCCCC)C)C)C)C)C)C)C)C)C
Compound: Aleprolic acid
SMILES: OC(=O)C1CCC=C1
Compound: Dihydrosterculic acid
SMILES: OC(=O)CCCCCCC[C@@H]1[C@@H](C1)CCCCCCCC
Compound: Majusculoic acid
SMILES: Br/C(=C\C=C\CC[C@@H]1[C@H](C1)CCC(O)=O)/CCC
Compound: Oncobic acid
SMILES: OC(=O)CCCCCC\C=C\CCCCCCC1CCC=C1
Compound: 2,4-Dihydroxy-2-heptenedioic acid
SMILES: OC(CCC(O)=O)/C=C(\O)/C(O)=O
Compound: 2-Methyl-tridecanedioic acid
SMILES: OC(=O)C(CCCCCCCCCCC(O)=O)C
Compound: 3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid
SMILES: OC\C(\C(CC(O)=O)CC(O)=O)=C/C
Compound: 3,3'-Thiobispropanoic acid
SMILES: S(CCC(O)=O)CCC(O)=O
Compound: 3-Methyl-tetradecanedioic acid
SMILES: OC(=O)CC(CCCCCCCCCCC(O)=O)C
Compound: 4E-Decenedioic acid
SMILES: OC(=O)CCCC/C=C/CCC(O)=O
Compound: 8E-Heptadecenedioic acid
SMILES: OC(=O)CCCCCCC/C=C/CCCCCCC(O)=O
Compound: Didodecyl thiobispropanoate
SMILES: S(CCC(OCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCC)=O
Compound: Heneicosanedioic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCCCCCC(O)=O
Compound: Heptadecanedioic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCC(O)=O
Compound: Pentadecanedioic acid
SMILES: OC(=O)CCCCCCCCCCCCCC(O)=O
Compound: Tetracosanedioic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCCCCCCCCC(O)=O
Compound: Triacontanedioic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Compound: xi-8-Hydroxyhexadecanedioic acid
SMILES: OC(CCCCCCCC(O)=O)CCCCCCC(O)=O
Compound: Alchornoic acid
SMILES: O1[C@@H]([C@@H]1C/C=C\CCCCCCCCCC(O)=O)CCCCC
Compound: 35S-Methylokadaic acid 7-hexadecanoate
SMILES: O1C2(OCCCC2C)CCC(C1C(CC(O)C3OC4C(OC5(OC(CC5)/C=C/C(C6OC7(OC(CCC7OC(=O)CCCCCCCCCCCCCCC)CC(O)(C)C(O)=O)C=C(C6)C)C)CC4)C(O)C3=C)C)C
Compound: Dimethyl succinate
SMILES: O(C(=O)CCC(OC)=O)C
Compound: 3-Iodo-2E-acrylic acid
SMILES: I\C=C\C(O)=O
Compound: 9,10,12,13-Tetrabromo-stearic acid
SMILES: BrC(C(Br)CCCCCCCC(O)=O)CC(Br)C(Br)CCCCC
Compound: 9,10-Dibromo-stearic acid
SMILES: BrC(C(Br)CCCCCCCC(O)=O)CCCCCCCC
Compound: 3,4-Dimethyl-5-pentyl-2-furanheptanoic acid
SMILES: O1C(CCCCCCC(O)=O)=C(C(=C1CCCCC)C)C
Compound: 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
SMILES: O1C(CCCCC)=C(C(=C1CCC(O)=O)C(O)=O)C
Compound: 10-Hydroxy-11-dodecenoic acid
SMILES: OC(CCCCCCCCC(O)=O)C=C
Compound: pyridin-2-ol
SMILES: Oc1ccccn1
Compound: 12S-Hydroxy-16-heptadecynoic acid
SMILES: O[C@@H](CCCCCCCCCCC(O)=O)CCCC#C
Compound: 14-Hydroxy-12-tetradecenoic acid
SMILES: OC(=O)CCCCCCCCCC/C=C/CO
Compound: 15-Hydroxy-pentacosanoic acid
SMILES: OC(CCCCCCCCCCCCCC(O)=O)CCCCCCCCCC
Compound: 2,3-Dihydroxyvaleric acid
SMILES: OC(CC)C(O)C(O)=O
Compound: 2-Ethyl-2-hydroxy-butyric acid
SMILES: OC(CC)(CC)C(O)=O
Compound: 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid
SMILES: O[C@@H]([C@H](C)C(O)=O)C
Compound: 3-Hydroxyisoheptanoic acid
SMILES: OC(CC(C)C)CC(O)=O
Compound: 3R-Hydroxy-5Z-dodecenoic acid
SMILES: O[C@H](C/C=C\CCCCCC)CC(O)=O
Compound: 4,12-Dihydroxyhexadecanoic acid
SMILES: OC(CCCCCCCC(O)CCC(O)=O)CCCC
Compound: 4-Hydroxycapric acid
SMILES: OC(CCCCCC)CCC(O)=O
Compound: 4-Hydroxyenanthoic acid
SMILES: OC(CCC)CCC(O)=O
Compound: 4-Hydroxypelargonic acid
SMILES: OC(CCCCC)CCC(O)=O
Compound: 5-Hydroxycapric acid
SMILES: OC(CCCCC)CCCC(O)=O
Compound: 6,8-Dihydroxyoctanoic acid
SMILES: OC(CCCCC(O)=O)CCO
Compound: 6-Hydroxy-2-hexynoic acid
SMILES: OCCCC#CC(O)=O
Compound: 7-Hydroxy-5-heptynoic acid
SMILES: OC(=O)CCCC#CCO
Compound: 8,9,16-Trihydroxypalmitic acid
SMILES: OC(C(O)CCCCCCC(O)=O)CCCCCCCO
Compound: 9,10-Dihydroxyhexadecanoic acid
SMILES: OC(C(O)CCCCCC)CCCCCCCC(O)=O
Compound: 9,13-Dihydroxy-10-ethoxy-11-octadecenoic acid
SMILES: O(C(C(O)CCCCCCCC(O)=O)/C=C/C(O)CCCCC)CC
Compound: 9-Hydroxy-5Z-nonenoic acid
SMILES: OCCC/C=C\CCCC(O)=O
Compound: L-serine phosphoethanolamine
SMILES: NCCOP(O)(=O)OC[C@H](N)C(O)=O
Compound: Garcinia acid
SMILES: O[C@]([C@H](O)C(O)=O)(CC(O)=O)C(O)=O
Compound: Lesquerolic acid
SMILES: OC(CCCCCC)C/C=C\CCCCCCCCCC(O)=O
Compound: (S)-9-Hydroxy-10-undecenoic acid
SMILES: O[C@@H](CCCCCCCC(O)=O)C=C
Compound: Ustilic acid A
SMILES: OC(CCCCCCCCCCCCCC(O)=O)CO
Compound: 8-Methoxy-13-hydroxy-9,11-octadecadienoic acid
SMILES: O(C(CCCCCCC(O)=O)/C=C/C=C/C(O)CCCCC)C
Compound: 2-Methylglutaconic acid
SMILES: OC(=O)C/C=C(\C)/C(O)=O
Compound: 12-Methyl-10-oxotridecanoic acid
SMILES: O=C(CCCCCCCCC(O)=O)CC(C)C
Compound: 16-Oxoheptadecanoic acid
SMILES: O=C(CCCCCCCCCCCCCCC(O)=O)C
Compound: 17-Oxo-20Z-hexacosenoic acid
SMILES: O=C(CCCCCCCCCCCCCCCC(O)=O)CC/C=C\CCCCC
Compound: 18-Oxononadecanoic acid
SMILES: O=C(CCCCCCCCCCCCCCCCC(O)=O)C
Compound: N(2)-acetyl-L-ornithine
SMILES: C(CCN)[C@@H](C(O)=O)NC(=O)C
Compound: 20-Oxoheneicosanoic acid
SMILES: O=C(CCCCCCCCCCCCCCCCCCC(O)=O)C
Compound: 2-Amino-8-oxo-9,10-epoxy-decanoic acid
SMILES: O1C(C1)C(=O)CCCCC[C@@H](N)C(O)=O
Compound: 3,6-Dioxo-decanoic acid
SMILES: O=C(CCCC)CCC(=O)CC(O)=O
Compound: 3-Butyrl propionic acid
SMILES: O=C(CCC)CCC(O)=O
Compound: 3-Oxononadecanoic acid
SMILES: O=C(CCCCCCCCCCCCCCCC)CC(O)=O
Compound: 5-Oxo-heneicosanoic acid
SMILES: O=C(CCCCCCCCCCCCCCCC)CCCC(O)=O
Compound: 6-Keto-n-caprylic acid
SMILES: O=C(CCCCC(O)=O)CC
Compound: 7-Keto palmitic acid
SMILES: O=C(CCCCCCCCC)CCCCCC(O)=O