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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01243299

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.95
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.95
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.95
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.95
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.95
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.95
ISFA,B1PGE0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.82
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.82
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.79
PG9D-PHENYLGLYCINEA,B,G,H10GS0.78
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.78
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.8
4PH4-methyl-L-phenylalanineB,C3BV90.78
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.75
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.7
MBOMERCURIBENZOIC ACIDA2QO80.81
MBOMERCURIBENZOIC ACIDA1LUG0.81
MBOMERCURIBENZOIC ACIDA2HOC0.81
MBOMERCURIBENZOIC ACIDA3EFI0.81
MBOMERCURIBENZOIC ACIDA3BL00.81
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.81
MBOMERCURIBENZOIC ACIDA3CAJ0.81
MBOMERCURIBENZOIC ACIDA1DR70.81
MBOMERCURIBENZOIC ACIDA2HL40.81
MBOMERCURIBENZOIC ACIDA2GD80.81
MBOMERCURIBENZOIC ACIDA2QP60.81
MBOMERCURIBENZOIC ACIDA2HD60.81
MBOMERCURIBENZOIC ACIDA3C7P0.81
MBOMERCURIBENZOIC ACIDA,B2JHN0.81
MBOMERCURIBENZOIC ACIDA1DR60.81
MBOMERCURIBENZOIC ACIDA2HNC0.81
MBOMERCURIBENZOIC ACIDA2QOA0.81
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.76
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.86
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.73
OSB2-SUCCINYLBENZOATEA1FHV0.81
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.81
OSB2-SUCCINYLBENZOATEA,B2QVH0.81
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.8
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.71
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.79
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.79
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.77
HY1PHENYLACETALDEHYDED,H2I0S0.74
HY1PHENYLACETALDEHYDEA,B1D6Y0.74
HY1PHENYLACETALDEHYDEA,B1D6Z0.74
HY1PHENYLACETALDEHYDED,H2OK40.74
HY1PHENYLACETALDEHYDEA,B1D6U0.74
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.76
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
4MA4-METHYLBENZOIC ACIDA,H2HRG0.83
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.71
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.72
TRZTRAZEOLIDEA1C120.76
FBCA,B2B9A0.79
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.78
173BENZOYL-FORMIC ACIDA,B1SZE0.84
1LPTRANYLCYPROMINEA,B1OJB0.79
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.83
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.84
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.84
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.84
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.84
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.84
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.84
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.84
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.84
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.86
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
FLPFLURBIPROFENA,B,C,D3PGH0.92
FLPFLURBIPROFENA,B1CQE0.92
FLPFLURBIPROFENA,B1EQH0.92
FLPFLURBIPROFENA,B2AYL0.92
FLPFLURBIPROFENA1DVT0.92
FLPFLURBIPROFENA1R9O0.92
IOYP-IODO-D-PHENYLALANINEA1XBU0.74
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.75
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.71
IBPIBUPROFENA3FKX0.98
IBPIBUPROFENA,B2BXG0.98
IBPIBUPROFENA,B1EQG0.98
IBPIBUPROFENA,B,C2WD90.98
IBPIBUPROFENA2PWS0.98
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.74
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.71
AC01-PHENYLETHANONEA1ZK10.73
AC01-PHENYLETHANONEA1ZK40.73
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.78
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.78
7912-PHENYLMALONIC ACIDA1O4P0.93
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.87
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.87
BZSL-BENZYLSUCCINIC ACIDA1CBX0.88
BZSL-BENZYLSUCCINIC ACIDA1HYT0.88
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.88
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.75
4FCA1YSG0.8
5PV5-PHENYLVALERIC ACIDA,B2AY90.93
SS11-PHENYLETHANOLH1UM50.73
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.74
PHTPHTHALIC ACIDA,B,C2B7P0.8
PHTPHTHALIC ACIDA3C2V0.8
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.8
PHTPHTHALIC ACIDA,B3C2R0.8
PMAPYROMELLITIC ACIDA,B1FUP0.74
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.78
RMN(R)-MANDELIC ACIDA1MDL0.81
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.81
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.81
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.81
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
26CA,B2F7I0.79
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.79
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.79
HCIHYDROCINNAMIC ACIDA,B1BXG0.91
HCIHYDROCINNAMIC ACIDA,B1TOG0.91
HCIHYDROCINNAMIC ACIDA,B1V2F0.91
HCIHYDROCINNAMIC ACIDA,B1AHX0.91
HCIHYDROCINNAMIC ACIDA1TOI0.91
HCIHYDROCINNAMIC ACIDA,B1AY80.91
HCIHYDROCINNAMIC ACIDA1TOJ0.91
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.93
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S1
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC1
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D1
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.76
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.8
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.8
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.8
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.8
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.8
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.8
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.72
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.88
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.88
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.88
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.88
BFLA,B1Q4G0.95
OX1H,Y1LO20.74
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.72
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.71
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.71
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.78
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.79
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.76
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.76
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.74
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.77
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.77
SMN(S)-MANDELIC ACIDA1MDL0.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.79
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.79
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.9
PHIIODO-PHENYLALANINEA1TF90.74
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.74
PHIIODO-PHENYLALANINEA1T6H0.74
PHIIODO-PHENYLALANINEA,B,C1NLU0.74
PHIIODO-PHENYLALANINEA,I1GA10.74
PHIIODO-PHENYLALANINEA,I1GA40.74
PHIIODO-PHENYLALANINEP1CZI0.74
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.72
DPND-PHENYLALANINEP1MCS0.76
DPND-PHENYLALANINEA1GOE0.76
DPND-PHENYLALANINEA2RM90.76
DPND-PHENYLALANINEA1SOC0.76
DPND-PHENYLALANINEB,C,E,F1SFQ0.76
DPND-PHENYLALANINEI1ABJ0.76
DPND-PHENYLALANINEP1DWE0.76
DPND-PHENYLALANINEI,M1HLT0.76
DPND-PHENYLALANINEA,H,L1J9C0.76
DPND-PHENYLALANINEI,T1TMB0.76
DPND-PHENYLALANINEA2JRY0.76
DPND-PHENYLALANINEA2SOC0.76
DPND-PHENYLALANINEA2YYF0.76
DPND-PHENYLALANINEI2HGT0.76
DPND-PHENYLALANINEA,D2Q3I0.76
DPND-PHENYLALANINEA,P1MCD0.76
DPND-PHENYLALANINEP1HAO0.76
DPND-PHENYLALANINEA,B,I1Z8J0.76
DPND-PHENYLALANINEA,B,C2PGQ0.76
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.76
DPND-PHENYLALANINEP1NRR0.76
DPND-PHENYLALANINEI1PPB0.76
DPND-PHENYLALANINEC,D,G,H1NU70.76
DPND-PHENYLALANINEI2HPP0.76
DPND-PHENYLALANINEB,C2OD30.76
DPND-PHENYLALANINEA1B0Q0.76
DPND-PHENYLALANINEB,C,E,F1NU90.76
DPND-PHENYLALANINEA,B,I1Z8I0.76
DPND-PHENYLALANINEH,I,J1TMU0.76
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.76
DPND-PHENYLALANINEA1GO90.76
DPND-PHENYLALANINEB,C,E,F1A0H0.76
DPND-PHENYLALANINEP1MCF0.76
DPND-PHENYLALANINEA2RME0.76
DPND-PHENYLALANINEH,I1TMT0.76
DPND-PHENYLALANINEI1ABI0.76
DPND-PHENYLALANINER1NRQ0.76
DPND-PHENYLALANINEB,C,F,G2A1D0.76
DPND-PHENYLALANINEA,B2Q330.76
DPND-PHENYLALANINEC,H,L1DAN0.76
DPND-PHENYLALANINEP1MCE0.76
DPND-PHENYLALANINEB,C,E,F2A450.76
DPND-PHENYLALANINEA2RMI0.76
DPND-PHENYLALANINEA,B,I1TQ70.76
DPND-PHENYLALANINEA1W7M0.76
DPND-PHENYLALANINEP1HAP0.76
DPND-PHENYLALANINEA,B1ORF0.76
DPND-PHENYLALANINEI1IHS0.76
DPND-PHENYLALANINEP1MCC0.76
DPND-PHENYLALANINEA2RMD0.76
DPND-PHENYLALANINEA2JQB0.76
DPND-PHENYLALANINEI2HPQ0.76
DPND-PHENYLALANINEC,E,F1SHH0.76
DPND-PHENYLALANINEA,I1CVR0.76
DPND-PHENYLALANINEL,P1AUT0.76
DPND-PHENYLALANINEP1MCI0.76
DPND-PHENYLALANINEH,I3F6U0.76
DPND-PHENYLALANINEA1BFW0.76
DPND-PHENYLALANINEH,I1HAI0.76
DPND-PHENYLALANINEB,C2THF0.76
DPND-PHENYLALANINEI1IHT0.76
DPND-PHENYLALANINEA,P1MCJ0.76
DPND-PHENYLALANINEA1TKH0.76
DPND-PHENYLALANINEC,H,L,T2FIR0.76
DPND-PHENYLALANINEA2FMZ0.76
DPND-PHENYLALANINEA1YL90.76
DPND-PHENYLALANINEI1HUT0.76
DPND-PHENYLALANINEI1FXY0.76
DPND-PHENYLALANINEA1YL80.76
DPND-PHENYLALANINEC,H,L1QFK0.76
DPND-PHENYLALANINEP1MCB0.76
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.9
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.9
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.9
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.7
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.7
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.7
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.7
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z
1QZV0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ40.7
PHBP-HYDROXYBENZOIC ACIDA1DOB0.7
PHBP-HYDROXYBENZOIC ACIDA1PXB0.7
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.7
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.7
PHBP-HYDROXYBENZOIC ACIDA1IUV0.7
PHBP-HYDROXYBENZOIC ACIDA1PBE0.7
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.7
PHBP-HYDROXYBENZOIC ACIDA1PDH0.7
PHBP-HYDROXYBENZOIC ACIDB2BUW0.7
PHBP-HYDROXYBENZOIC ACIDA1CC40.7
PHBP-HYDROXYBENZOIC ACIDA1CC60.7
PHBP-HYDROXYBENZOIC ACIDA1IUW0.7
PHBP-HYDROXYBENZOIC ACIDA1FW90.7
PHBP-HYDROXYBENZOIC ACIDA1G810.7
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.7
PHBP-HYDROXYBENZOIC ACIDA1IUX0.7
PHBP-HYDROXYBENZOIC ACIDA1CJ30.7
PHBP-HYDROXYBENZOIC ACIDA1D7L0.7
PHBP-HYDROXYBENZOIC ACIDA2PHH0.7
PHBP-HYDROXYBENZOIC ACIDA1BGN0.7
PHBP-HYDROXYBENZOIC ACIDA1PXA0.7
PHBP-HYDROXYBENZOIC ACIDA1DOC0.7
PHBP-HYDROXYBENZOIC ACIDA1K0I0.7
PHBP-HYDROXYBENZOIC ACIDA1BKW0.7
PHBP-HYDROXYBENZOIC ACIDA1JD30.7
PHBP-HYDROXYBENZOIC ACIDA1PXC0.7
PHBP-HYDROXYBENZOIC ACIDA1TT80.7
PHBP-HYDROXYBENZOIC ACIDA1CJ20.7
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.7
PHBP-HYDROXYBENZOIC ACIDA1BF30.7
PHBP-HYDROXYBENZOIC ACIDB2BUR0.7
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
VK3MENADIONEA1TUV0.7
VK3MENADIONEA,B2QR20.7
3PL3-PHENYLPROPANALE1Y3G0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.79
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.87
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.87
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.87
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.87
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.87
PEL2-PHENYL-ETHANOLA,B1I0D0.77
PEL2-PHENYL-ETHANOLD,H2I0T0.77
PEL2-PHENYL-ETHANOLA,B1HZY0.77
PEL2-PHENYL-ETHANOLA,B1I0B0.77
PEL2-PHENYL-ETHANOLA1EYW0.77
PEL2-PHENYL-ETHANOLA,B1JGM0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.71
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.71
BEZBENZOIC ACIDA,B2F8D0.81
BEZBENZOIC ACIDA,B1A8U0.81
BEZBENZOIC ACIDA,B1REE0.81
BEZBENZOIC ACIDA1L7Q0.81
BEZBENZOIC ACIDA1I690.81
BEZBENZOIC ACIDH,L1RUL0.81
BEZBENZOIC ACIDA,B3CCF0.81
BEZBENZOIC ACIDA1W9Q0.81
BEZBENZOIC ACIDA,B,G,J2DU80.81
BEZBENZOIC ACIDH,L1RUA0.81
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.81
BEZBENZOIC ACIDH,L1RU90.81
BEZBENZOIC ACIDA,B,C,D2V320.81
BEZBENZOIC ACIDA2QMQ0.81
BEZBENZOIC ACIDA1UKB0.81
BEZBENZOIC ACIDA,B1RED0.81
BEZBENZOIC ACIDA,B1OC30.81
BEZBENZOIC ACIDA,B1REF0.81
BEZBENZOIC ACIDA,B2O020.81
BEZBENZOIC ACIDA,B2VJ10.81
BEZBENZOIC ACIDA,B,C1WSP0.81
BEZBENZOIC ACIDA1HZ40.81
BEZBENZOIC ACIDA2Q380.81
BEZBENZOIC ACIDA,B,C,D1UUJ0.81
BEZBENZOIC ACIDA,B2QL80.81
BEZBENZOIC ACIDA2Q0I0.81
BEZBENZOIC ACIDA,B1S8F0.81
BEZBENZOIC ACIDD,E,F,G,H1DJR0.81
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.81
BEZBENZOIC ACIDA,B,C,D1I7Q0.81
BEZBENZOIC ACIDA,B,C,D2RHM0.81
BEZBENZOIC ACIDA,B2F780.81
BEZBENZOIC ACIDA,B2VL20.81
BEZBENZOIC ACIDA1HD20.81
BEZBENZOIC ACIDA1JU40.81
BEZBENZOIC ACIDH,L2AJY0.81
BEZBENZOIC ACIDA,B,C3GV10.81
BEZBENZOIC ACIDA2Q6U0.81
BEZBENZOIC ACIDA,B1VE90.81
BEZBENZOIC ACIDA,B1S9A0.81
BEZBENZOIC ACIDH,L,M1OP30.81
BEZBENZOIC ACIDA1W9E0.81
BEZBENZOIC ACIDA,B,C,D2V2G0.81
BEZBENZOIC ACIDH,L2AK10.81
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.81
BEZBENZOIC ACIDA,B1GYX0.81
BEZBENZOIC ACIDA1V1T0.81
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.81
BEZBENZOIC ACIDA,B1HKQ0.81
BEZBENZOIC ACIDH,L1RUK0.81
BEZBENZOIC ACIDA2Q1B0.81
BEZBENZOIC ACIDH,L1RUM0.81
BEZBENZOIC ACIDA,B2F7A0.81
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.81
BEZBENZOIC ACIDA,B2V7B0.81
BEZBENZOIC ACIDH1NCW0.81
BEZBENZOIC ACIDA,B1TMX0.81
BEZBENZOIC ACIDA1URM0.81
BEZBENZOIC ACIDA1W9O0.81
BEZBENZOIC ACIDA,B,C,D1GXS0.81
BEZBENZOIC ACIDH1RUP0.81
BEZBENZOIC ACIDA,B,C,D1KQB0.81
BEZBENZOIC ACIDA2Q9R0.81
BEZBENZOIC ACIDD,H2OK60.81
BEZBENZOIC ACIDA,B2Q0J0.81
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.79
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
PAC2-PHENYLACETIC ACIDB1PNL0.95
PAC2-PHENYLACETIC ACIDB1K5Q0.95
PAC2-PHENYLACETIC ACIDB1FXH0.95
PAC2-PHENYLACETIC ACIDA2ISF0.95
PAC2-PHENYLACETIC ACIDA2INE0.95
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.83
DFADIPHENYLACETIC ACIDA,B,C1GMY0.95
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.88
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.75
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.74
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.74
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.74
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.74
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.74
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.74
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.84
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.84
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.7
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.79
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.8
4HP4-HYDROXYPHENYLACETATEA2YYJ0.8
4HP4-HYDROXYPHENYLACETATEA2YYM0.8
4HP4-HYDROXYPHENYLACETATEB1AI60.8
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.8
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.81
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.81
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.81
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.81
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.81
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.82
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.82
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.71
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.75
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.75
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.72
HPEHOMOPHENYLALANINEA,B1B1H0.76
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.72