MonarchInit/C3PO huggingface dataset:
Compound: N-acetyllactosamine
SMILES: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Compound: Phe-Gly-Ile
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Lys-Ser
SMILES: SC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Compound: Phe-Gly-Leu
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Lys-Thr
SMILES: SC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: Phe-Gly-Lys
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Phe-Gly-Met
SMILES: S(CC[C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O)C
Compound: Cys-Lys-Trp
SMILES: SC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O
Compound: Phe-Gly-Phe
SMILES: O=C(NCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Lys-Tyr
SMILES: SC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
Compound: Phe-Gly-Pro
SMILES: OC(=O)[C@@H]1N(CCC1)C(=O)CNC(=O)[C@@H](N)CC2=CC=CC=C2
Compound: L-gulonic acid
SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
Compound: Cys-Lys-Val
SMILES: SC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: Cys-Met-Ala
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](C)C(O)=O)C
Compound: Phe-Gly-Ser
SMILES: O=C(NCC(=O)N[C@@H](CO)C(O)=O)[C@@H](N)CC1=CC=CC=C1
Compound: Cys-Met-Arg
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C
Compound: Phe-Gly-Thr
SMILES: O[C@@H]([C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O)C
Compound: Cys-Met-Asn
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)N)C(O)=O)C
Compound: Phe-Gly-Trp
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Cys-Met-Asp
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(O)=O)C(O)=O)C
Compound: Phe-Gly-Tyr
SMILES: O=C(NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Met-Cys
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(O)=O)C
Compound: myo-inositol 1,3,4,6-tetrakisphosphate
SMILES: O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Compound: Phe-Gly-Val
SMILES: OC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Phe-His-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Met-Glu
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C
Compound: Phe-His-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Met-Gly
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(O)=O)C
Compound: Cys-Met-His
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC=1NC=NC1)C(O)=O)C
Compound: Phe-His-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Met-Ile
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H]([C@H](CC)C)C(O)=O)C
Compound: Phe-His-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Met-Leu
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(C)C)C(O)=O)C
Compound: Phe-His-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2)C(O)=O
Compound: Cys-Met-Lys
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(O)=O)C
Compound: Phe-His-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Met-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCSC)C(O)=O)C
Compound: Phe-His-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Met-Phe
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C
Compound: Phe-His-Gly
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(=O)NCC(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Met-Pro
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N1[C@H](CCC1)C(O)=O)C
Compound: Phe-His-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC=3NC=NC3
Compound: Cys-Met-Ser
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(O)=O)C
Compound: D-arabinonate
SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C([O-])=O
Compound: Phe-His-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Phe-His-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Met-Thr
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H]([C@H](O)C)C(O)=O)C
Compound: Phe-His-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Met-Trp
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)C
Compound: Cys-Met-Tyr
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C
Compound: Phe-His-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2)C(O)=O)C
Compound: Cys-Met-Val
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](C(C)C)C(O)=O)C
Compound: Phe-His-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC=3NC=NC3
Compound: Cys-Phe-Ala
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(O)=O
Compound: Phe-His-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC=3NC=NC3
Compound: Cys-Phe-Arg
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Compound: Phe-His-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Phe-Asn
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Phe-His-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2)C(O)=O)C
Compound: Cys-Phe-Asp
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Phe-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=CC=C3)CC=4NC=NC4
Compound: Cys-Phe-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CC1=CC=CC=C1)C(O)=O
Compound: Phe-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=CC=C2)CC=3NC=NC3
Compound: Cys-Phe-Gln
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: sulochrin
SMILES: COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O
Compound: Phe-His-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2NC=NC2
Compound: Cys-Phe-Glu
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Phe-Ile-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-Gly
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(O)=O
Compound: Phe-Ile-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-His
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O
Compound: Phe-Ile-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-Ile
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(O)=O)CC1=CC=CC=C1
Compound: Phe-Ile-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-Leu
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: O-succinyl-L-homoserine
SMILES: N[C@@H](CCOC(=O)CCC(O)=O)C(O)=O
Compound: Phe-Ile-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C)C(O)=O
Compound: Cys-Phe-Lys
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: Phe-Ile-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CC1=CC=CC=C1)C(O)=O)C
Compound: Phe-Ile-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-Phe
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O
Compound: Phe-Ile-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Phe-Ile-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)[C@H](CC)C
Compound: Cys-Phe-Pro
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N1[C@H](CCC1)C(O)=O)CC2=CC=CC=C2
Compound: Cys-Phe-Ser
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(O)=O
Compound: CoA-disulfide
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: Phe-Ile-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-Thr
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: Phe-Ile-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-Trp
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(O)=O
Compound: Phe-Ile-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Phe-Tyr
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O
Compound: Phe-Ile-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C)C(O)=O)C
Compound: Cys-Phe-Val
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: Phe-Ile-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)[C@H](CC)C
Compound: Cys-Pro-Ala
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C)C(O)=O
Compound: o-orsellinate
SMILES: Cc1cc(O)cc(O)c1C([O-])=O
Compound: Phe-Ile-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)[C@H](CC)C
Compound: Cys-Pro-Arg
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Compound: Phe-Ile-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Phe-Ile-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: Cys-Pro-Asn
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Phe-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=CC=C3)[C@H](CC)C
Compound: Cys-Pro-Asp
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Cys-Pro-Cys
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CS)C(O)=O
Compound: Phe-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=CC=C2)[C@H](CC)C
Compound: Phe-Ile-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C
Compound: S-carboxymethyl-L-cysteine
SMILES: N[C@@H](CSCC(O)=O)C(O)=O
Compound: Cys-Pro-Gln
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Cys-Pro-Glu
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Phe-Leu-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Pro-Gly
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)NCC(O)=O
Compound: Phe-Leu-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Pro-His
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O
Compound: Phe-Leu-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Pro-Ile
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H]([C@H](CC)C)C(O)=O
Compound: Phe-Leu-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Pro-Leu
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: pyrogallol
SMILES: Oc1cccc(O)c1O
Compound: Phe-Leu-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C)C(O)=O
Compound: Phe-Leu-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Pro-Lys
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: Phe-Leu-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Pro-Met
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CCSC)C(O)=O
Compound: Cys-Pro-Phe
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O
Compound: Phe-Leu-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Phe-Leu-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC(C)C
Compound: Cys-Pro-Pro
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N2[C@@H](CCC2)C(O)=O
Compound: Phe-Leu-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: D-glucono-1,4-lactone
SMILES: [H][C@@]1(OC(=O)[C@H](O)[C@H]1O)[C@H](O)CO
Compound: Cys-Pro-Ser
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CO)C(O)=O
Compound: Phe-Leu-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Pro-Thr
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: Phe-Leu-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Pro-Trp
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(O)=O
Compound: Cys-Pro-Tyr
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O
Compound: Phe-Leu-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C)C(O)=O)C
Compound: Phe-Leu-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC(C)C
Compound: Cys-Pro-Val
SMILES: SC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: Cys-Ser-Ala
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C)C(O)=O)CO
Compound: 2-caffeoylisocitric acid
SMILES: OC(=O)CC(C(OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)C(O)=O
Compound: Phe-Leu-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC(C)C
Compound: Cys-Ser-Arg
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)CO
Compound: Phe-Leu-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Ser-Asn
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N)C(O)=O)CO
Compound: Phe-Leu-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Ser-Asp
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(O)=O)CO
Compound: Phe-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=CC=C3)CC(C)C
Compound: Cys-Ser-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CO)C(O)=O
Compound: Phe-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=CC=C2)CC(C)C
Compound: Cys-Ser-Gln
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N)C(O)=O)CO
Compound: Phe-Leu-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(C)C
Compound: Cys-Ser-Glu
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(O)=O)C(O)=O)CO
Compound: Phe-Lys-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Gly
SMILES: SC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(O)=O
Compound: Phe-Lys-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-His
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC=1NC=NC1)C(O)=O)CO
Compound: Phe-Lys-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Ile
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(O)=O)CO
Compound: Phe-Lys-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Leu
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)CO
Compound: 6-hydroxynicotinic acid
SMILES: OC(=O)C1=CC=C(O)N=C1
Compound: aztreonam
SMILES: C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc([NH3+])n2)C(=O)N1S([O-])(=O)=O
Compound: Phe-Lys-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN)C(O)=O
Compound: Cys-Ser-Lys
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(O)=O)CO
Compound: Phe-Lys-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CO)C(O)=O)C
Compound: Phe-Lys-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Phe
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)CO
Compound: Phe-Lys-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Pro
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N1[C@H](CCC1)C(O)=O)CO
Compound: Phe-Lys-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CCCCN
Compound: homogentisate
SMILES: Oc1ccc(O)c(CC([O-])=O)c1
Compound: Cys-Ser-Ser
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(O)=O)CO
Compound: Phe-Lys-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Thr
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H]([C@H](O)C)C(O)=O)CO
Compound: Phe-Lys-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Trp
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)CO
Compound: Phe-Lys-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Ser-Tyr
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)CO
Compound: Phe-Lys-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN)C(O)=O)C
Compound: Cys-Ser-Val
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C(C)C)C(O)=O)CO
Compound: Phe-Lys-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CCCCN
Compound: 4-hydroxy-3-octaprenylbenzoate
SMILES: CC(C)=CCC\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\Cc1cc(ccc1O)C([O-])=O
Compound: Cys-Thr-Ala
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](C)C(O)=O
Compound: Phe-Lys-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CCCCN
Compound: Cys-Thr-Arg
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Compound: Phe-Lys-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Thr-Asn
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Phe-Lys-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Cys-Thr-Asp
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Phe-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=CC=C3)CCCCN
Compound: Cys-Thr-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@H](O)C)C(O)=O
Compound: Phe-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=CC=C2)CCCCN
Compound: NMN zwitterion
SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Compound: Cys-Thr-Gln
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Phe-Lys-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCCN
Compound: Phe-Met-Ala
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](C)C(O)=O)C
Compound: Cys-Thr-Glu
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Phe-Met-Arg
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C
Compound: Cys-Thr-Gly
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)NCC(O)=O
Compound: Phe-Met-Asn
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O)C
Compound: Cys-Thr-His
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC=1NC=NC1)C(O)=O
Compound: Phe-Met-Asp
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(O)=O)C
Compound: Cys-Thr-Ile
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H]([C@H](CC)C)C(O)=O
Compound: neryl diphosphate
SMILES: CC(C)=CCC\C(C)=C/COP(O)(=O)OP(O)(O)=O
Compound: Phe-Met-Cys
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CS)C(O)=O)C
Compound: Cys-Thr-Leu
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: Phe-Met-Gln
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(O)=O)C
Compound: Cys-Thr-Lys
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: Phe-Met-Glu
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C
Compound: Cys-Thr-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@H](O)C)C(O)=O)C
Compound: Phe-Met-Gly
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(O)=O)C
Compound: Cys-Thr-Phe
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
Compound: Phe-Met-His
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O)C
Compound: Cys-Thr-Pro
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N1[C@H](CCC1)C(O)=O)[C@H](O)C
Compound: Cys-Thr-Ser
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CO)C(O)=O
Compound: Phe-Met-Ile
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H]([C@H](CC)C)C(O)=O)C
Compound: Cys-Thr-Thr
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: Phe-Met-Leu
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(O)=O)C
Compound: Cys-Thr-Trp
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O
Compound: Phe-Met-Lys
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(O)=O)C
Compound: Cys-Thr-Tyr
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
Compound: Phe-Met-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(O)=O)C
Compound: Phe-Met-Phe
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)C
Compound: Cys-Thr-Val
SMILES: SC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: dADP
SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1
Compound: Phe-Met-Pro
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N2[C@H](CCC2)C(O)=O)C
Compound: Cys-Trp-Ala
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](C)C(O)=O
Compound: Phe-Met-Ser
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(O)=O)C
Compound: Cys-Trp-Arg
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Compound: Cys-Trp-Asn
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Phe-Met-Thr
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H]([C@H](O)C)C(O)=O)C
Compound: Cys-Trp-Asp
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Phe-Met-Trp
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(O)=O)C
Compound: Cys-Trp-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CC=1C=2C(NC1)=CC=CC2)C(O)=O
Compound: Phe-Met-Tyr
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O)C
Compound: cholest-4-en-3-one
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Compound: Phe-Met-Val
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(O)=O)C
Compound: Cys-Trp-Gln
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Phe-Phe-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Cys-Trp-Glu
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Phe-Phe-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Cys-Trp-Gly
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)NCC(O)=O
Compound: Phe-Phe-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Cys-Trp-His
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC=3NC=NC3)C(O)=O
Compound: Phe-Phe-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2)C(O)=O
Compound: Cys-Trp-Ile
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H]([C@H](CC)C)C(O)=O
Compound: D-ornithine
SMILES: NCCC[C@@H](N)C(O)=O
Compound: Cys-Trp-Leu
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: Phe-Phe-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Phe-Phe-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Cys-Trp-Lys
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: Cys-Trp-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CC=1C=2C(NC1)=CC=CC2)C(O)=O)C
Compound: Phe-Phe-Gly
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(=O)NCC(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Trp-Phe
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O
Compound: Phe-Phe-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC3=CC=CC=C3
Compound: Cys-Trp-Pro
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N1[C@H](CCC1)C(O)=O)CC=2C=3C(NC2)=CC=CC3
Compound: Phe-Phe-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: vicianose
SMILES: O[C@H]1CO[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Compound: Phe-Phe-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Cys-Trp-Ser
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CO)C(O)=O
Compound: Cys-Trp-Thr
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: Phe-Phe-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Cys-Trp-Trp
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC=3C=4C(NC3)=CC=CC4)C(O)=O
Compound: Phe-Phe-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2)C(O)=O)C
Compound: Cys-Trp-Tyr
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(O)=O
Compound: Phe-Phe-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC3=CC=CC=C3
Compound: Cys-Trp-Val
SMILES: SC[C@H](N)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: Phe-Phe-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC3=CC=CC=C3
Compound: Cys-Tyr-Ala
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(O)=O
Compound: Phe-Phe-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Cys-Tyr-Arg
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Compound: Phe-Phe-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2)C(O)=O)C
Compound: Cys-Tyr-Asn
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Phe-Phe-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=CC=C3)CC4=CC=CC=C4
Compound: Cys-Tyr-Asp
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Phe-Phe-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=CC=C2)CC3=CC=CC=C3
Compound: Phe-Phe-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Cys-Tyr-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CC1=CC=C(O)C=C1)C(O)=O
Compound: Cys-Tyr-Gln
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Phe-Pro-Ala
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Tyr-Glu
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Phe-Pro-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2
Compound: Phe-Pro-Asn
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Tyr-Gly
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(O)=O
Compound: Phe-Pro-Asp
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Tyr-His
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O
Compound: Phe-Pro-Cys
SMILES: SC[C@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2)C(O)=O
Compound: Cys-Tyr-Ile
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(O)=O)CC1=CC=C(O)C=C1
Compound: Phe-Pro-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Tyr-Leu
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: Cys-Tyr-Lys
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: Phe-Pro-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2
Compound: Phe-Pro-Gly
SMILES: O=C(N1[C@@H](CCC1)C(=O)NCC(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Tyr-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CC1=CC=C(O)C=C1)C(O)=O)C
Compound: Phe-Pro-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@H]2N(CCC2)C(=O)[C@@H](N)CC3=CC=CC=C3
Compound: Cys-Tyr-Phe
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O
Compound: Cys-Tyr-Pro
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N1[C@H](CCC1)C(O)=O)CC2=CC=C(O)C=C2
Compound: Phe-Pro-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2
Compound: 1-amino-1-deoxy-scyllo-inositol
SMILES: N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: Cys-Tyr-Ser
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(O)=O
Compound: Phe-Pro-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2
Compound: Phe-Pro-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Tyr-Thr
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: Cys-Tyr-Trp
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(O)=O
Compound: Phe-Pro-Met
SMILES: S(CC[C@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2)C(O)=O)C
Compound: Cys-Tyr-Tyr
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O
Compound: Phe-Pro-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@H]2N(CCC2)C(=O)[C@@H](N)CC3=CC=CC=C3
Compound: Phe-Pro-Ser
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CO)C(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Tyr-Val
SMILES: SC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: 2-methylbutanal
SMILES: [H]C(=O)C(C)CC
Compound: Cys-Val-Ala
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O
Compound: Phe-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)CC4=CC=CC=C4
Compound: Cys-Val-Arg
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Compound: Phe-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)CC3=CC=CC=C3
Compound: Phe-Pro-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=CC=C2
Compound: Cys-Val-Asn
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Cys-Val-Asp
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Phe-Ser-Ala
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](C)C(O)=O
Compound: Cys-Val-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O
Compound: Phe-Ser-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CO
Compound: methane
SMILES: [H]C([H])([H])[H]
Compound: Cys-Val-Gln
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Phe-Ser-Asn
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O
Compound: Cys-Val-Glu
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Phe-Ser-Asp
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Cys-Val-Gly
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O
Compound: Phe-Ser-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CO)C(O)=O
Compound: Cys-Val-His
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC=1NC=NC1)C(O)=O
Compound: Phe-Ser-Gln
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(O)=O
Compound: Cys-Val-Ile
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](CC)C)C(O)=O
Compound: Phe-Ser-Glu
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: 7-O-acetylsalutaridinol
SMILES: COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=C[C@@H]1OC(C)=O
Compound: Cys-Val-Leu
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: Phe-Ser-Gly
SMILES: O=C(N[C@@H](CO)C(=O)NCC(O)=O)[C@@H](N)CC1=CC=CC=C1
Compound: Cys-Val-Lys
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: Phe-Ser-His
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O
Compound: Cys-Val-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O)C
Compound: Phe-Ser-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CO)[C@H](CC)C
Compound: Cys-Val-Phe
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
Compound: Phe-Ser-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CO
Compound: Cys-Val-Pro
SMILES: SC[C@H](N)C(=O)N[C@H](C(=O)N1[C@H](CCC1)C(O)=O)C(C)C
Compound: Phe-Ser-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CO
Compound: Cys-Val-Ser
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O
Compound: Phe-Ser-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CO)C(O)=O)C
Compound: Cys-Val-Thr
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](O)C)C(O)=O
Compound: Phe-Ser-Phe
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O
Compound: Cys-Val-Trp
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O
Compound: Phe-Ser-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CO
Compound: Cys-Val-Tyr
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
Compound: Phe-Ser-Ser
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(O)=O
Compound: Cys-Val-Val
SMILES: SC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: Phe-Ser-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CO)C(O)=O)C
Compound: Gln-Ala-Ala
SMILES: O=C(N[C@H](C(=O)N[C@@H](C)C(O)=O)C)[C@@H](N)CCC(=O)N
Compound: Phe-Ser-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=CC=C3)CO
Compound: Gln-Ala-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Ser-Tyr
SMILES: OC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O
Compound: Gln-Ala-Asn
SMILES: O=C(N[C@H](C(=O)N[C@@H](CC(=O)N)C(O)=O)C)[C@@H](N)CCC(=O)N
Compound: Phe-Ser-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CO
Compound: Gln-Ala-Asp
SMILES: O=C(N[C@H](C(=O)N[C@@H](CC(O)=O)C(O)=O)C)[C@@H](N)CCC(=O)N
Compound: Phe-Thr-Ala
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](C)C(O)=O)C
Compound: Gln-Ala-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C)C(O)=O
Compound: Phe-Thr-Arg
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C
Compound: 1-piperideine-2-carboxylate
SMILES: [O-]C(=O)C1=NCCCC1
Compound: Gln-Ala-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Thr-Asn
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O)C
Compound: Gln-Ala-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Thr-Asp
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(O)=O)C
Compound: Gln-Ala-Gly
SMILES: O=C(N[C@@H](C)C(=O)NCC(O)=O)[C@@H](N)CCC(=O)N
Compound: Phe-Thr-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](O)C)C(O)=O
Compound: Gln-Ala-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Thr-Gln
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(O)=O)C
Compound: Gln-Ala-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C)[C@H](CC)C
Compound: Phe-Thr-Glu
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C
Compound: Gln-Ala-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Thr-Gly
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(O)=O)C
Compound: Phe-Thr-His
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O)C
Compound: Gln-Ala-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Gln-Ala-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C)C(O)=O)C
Compound: Phe-Thr-Ile
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H]([C@H](CC)C)C(O)=O)C
Compound: Phe-Thr-Leu
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(O)=O)C
Compound: Gln-Ala-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Gln-Ala-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Thr-Lys
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(O)=O)C
Compound: sulfate
SMILES: [O-]S([O-])(=O)=O
Compound: Gln-Ala-Ser
SMILES: O=C(N[C@H](C(=O)N[C@@H](CO)C(O)=O)C)[C@@H](N)CCC(=O)N
Compound: Phe-Thr-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](O)C)C(O)=O)C
Compound: Gln-Ala-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C)C(O)=O)C
Compound: Phe-Thr-Phe
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)C
Compound: Gln-Ala-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Thr-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)[C@H](O)C
Compound: Gln-Ala-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Thr-Ser
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(O)=O)C
Compound: Gln-Ala-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C
Compound: Phe-Thr-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H]([C@H](O)C)C(O)=O)C
Compound: cis-cyclohexa-3,5-diene-1,2-diol
SMILES: O[C@H]1C=CC=C[C@H]1O
Compound: Gln-Arg-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Thr-Trp
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(O)=O)C
Compound: Gln-Arg-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Thr-Tyr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O)C
Compound: Gln-Arg-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Thr-Val
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(O)=O)C
Compound: Gln-Arg-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N)C(O)=O
Compound: Phe-Trp-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Asp
SMILES: O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3)C(O)=O
Compound: Gln-Arg-Gly
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(=O)NCC(O)=O)[C@@H](N)CCC(=O)N
Compound: Phe-Trp-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Phe-Trp-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: 2'-deoxyguanosine 5'-monophosphate
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1
Compound: Phe-Trp-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC=3C=4C(NC3)=CC=CC4
Compound: Gln-Arg-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Gln-Arg-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N)C(O)=O)C
Compound: Phe-Trp-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3)C(O)=O)C
Compound: 3-hydroxybenzoate
SMILES: Oc1cccc(c1)C([O-])=O
Compound: Gln-Arg-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC=3C=4C(NC3)=CC=CC4
Compound: Gln-Arg-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC=3C=4C(NC3)=CC=CC4
Compound: Gln-Arg-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: bispyribac(1-)
SMILES: COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1
Compound: Gln-Arg-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Arg-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCN=C(N)N
Compound: Phe-Trp-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=CC=C2)CC=3C=4C(NC3)=CC=CC4
Compound: Phe-Trp-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Compound: Gln-Asn-Ala
SMILES: O=C(N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CCC(=O)N
Compound: Phe-Tyr-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asn-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asn-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Gln-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)CCC(=O)N
Compound: Phe-Tyr-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asn-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N)C(O)=O
Compound: Phe-Tyr-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2)C(O)=O
Compound: Gln-Asn-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Phe-Tyr-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asn-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Gly
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(O)=O)[C@@H](N)CC2=CC=CC=C2
Compound: Gln-Asn-Gly
SMILES: O=C(N[C@@H](CC(=O)N)C(=O)NCC(O)=O)[C@@H](N)CCC(=O)N
Compound: Phe-Tyr-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC3=CC=C(O)C=C3
Compound: Gln-Asn-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: oleic acid
SMILES: CCCCCCCC\C=C/CCCCCCCC(O)=O
Compound: Gln-Asn-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asn-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Gln-Asn-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asn-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N)C(O)=O)C
Compound: Phe-Tyr-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2)C(O)=O)C
Compound: Gln-Asn-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC3=CC=C(O)C=C3
Compound: Gln-Asn-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC3=CC=C(O)C=C3
Compound: Gln-Asn-Ser
SMILES: O=C(N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(O)=O)[C@@H](N)CCC(=O)N
Compound: Phe-Tyr-Ser
SMILES: O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asn-Thr
SMILES: O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N)C(O)=O)C
Compound: Phe-Tyr-Thr
SMILES: O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asn-Trp
SMILES: O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-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=CC=C3)CC4=CC=C(O)C=C4
Compound: Gln-Asn-Tyr
SMILES: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-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=CC=C2)CC3=CC=C(O)C=C3
Compound: Gln-Asn-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
Compound: Phe-Tyr-Val
SMILES: O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
Compound: Gln-Asp-Ala
SMILES: O=C(N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CCC(=O)N
Compound: Phe-Val-Ala
SMILES: O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-Asp-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O
Compound: Phe-Val-Arg
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-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)CCC(=O)N
Compound: Phe-Val-Asn
SMILES: O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-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)CCC(=O)N
Compound: Phe-Val-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(O)=O
Compound: Gln-Asp-Cys
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O)C(O)=O
Compound: Phe-Val-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-Asp-Gln
SMILES: O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O
Compound: Phe-Val-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-Asp-Glu
SMILES: O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O
Compound: Phe-Val-Gly
SMILES: O=C(NCC(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-Asp-Gly
SMILES: O=C(N[C@@H](CC(O)=O)C(=O)NCC(O)=O)[C@@H](N)CCC(=O)N
Compound: Phe-Val-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)C(C)C
Compound: Gln-Asp-His
SMILES: O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O
Compound: Phe-Val-Ile
SMILES: O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-Asp-Ile
SMILES: OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O)[C@H](CC)C
Compound: questin
SMILES: COc1cc(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c12
Compound: Phe-Val-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-Asp-Leu
SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O
Compound: Phe-Val-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C
Compound: Gln-Asp-Lys
SMILES: O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O
Compound: Phe-Val-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(O)=O)C
Compound: Gln-Asp-Met
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O)C(O)=O)C
Compound: Phe-Val-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)C(C)C
Compound: Gln-Asp-Phe
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O
Compound: Phe-Val-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)C(C)C
Compound: Gln-Asp-Pro
SMILES: O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O