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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005911

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.7
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.82
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.8
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.82
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.75
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.75
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.83
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.83
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.83
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.83
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.83
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.83
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.75
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.92
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.71
YOF3-FLUOROTYROSINEA,B1XIL0.74
YOF3-FLUOROTYROSINEA,B1XDC0.74
YOF3-FLUOROTYROSINEA1RRX0.74
YOF3-FLUOROTYROSINEA,B3FYG0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.83
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.71
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.75
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.71
VXXVANILLATEA,B1WB60.7
7912-PHENYLMALONIC ACIDA1O4P0.7
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.97
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.97
SAL2-HYDROXYBENZOIC ACIDA2I300.97
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.97
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.97
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.97
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.97
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.97
SAL2-HYDROXYBENZOIC ACIDA1WYG0.97
SAL2-HYDROXYBENZOIC ACIDA1JGS0.97
SAL2-HYDROXYBENZOIC ACIDX1M6E0.97
SAL2-HYDROXYBENZOIC ACIDA3B9M0.97
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.97
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.97
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.97
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.71
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
FHIA,B1Y1D0.87
FLVFLAVIOLINA1ZDW0.76
FLVFLAVIOLINA1T930.76
FLVFLAVIOLINA2D090.76
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.85
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.8
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.86
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.75
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.75
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.75
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.75
PHTPHTHALIC ACIDA,B,C2B7P0.76
PHTPHTHALIC ACIDA3C2V0.76
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.76
PHTPHTHALIC ACIDA,B3C2R0.76
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.79
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE
A1N5V0.71
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.76
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.72
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.74
DHCCAFFEIC ACIDA1KOU0.74
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.88
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.88
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.88
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.88
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.88
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.83
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.83
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.83
34D3,5-DIHYDROXYBENZOATEA,B2BX70.85
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.89
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.89
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.72
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.81
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.79
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.79
PHBP-HYDROXYBENZOIC ACIDA1CJ40.87
PHBP-HYDROXYBENZOIC ACIDA1DOB0.87
PHBP-HYDROXYBENZOIC ACIDA1PXB0.87
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.87
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.87
PHBP-HYDROXYBENZOIC ACIDA1IUV0.87
PHBP-HYDROXYBENZOIC ACIDA1PBE0.87
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.87
PHBP-HYDROXYBENZOIC ACIDA1PDH0.87
PHBP-HYDROXYBENZOIC ACIDB2BUW0.87
PHBP-HYDROXYBENZOIC ACIDA1CC40.87
PHBP-HYDROXYBENZOIC ACIDA1CC60.87
PHBP-HYDROXYBENZOIC ACIDA1IUW0.87
PHBP-HYDROXYBENZOIC ACIDA1FW90.87
PHBP-HYDROXYBENZOIC ACIDA1G810.87
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.87
PHBP-HYDROXYBENZOIC ACIDA1IUX0.87
PHBP-HYDROXYBENZOIC ACIDA1CJ30.87
PHBP-HYDROXYBENZOIC ACIDA1D7L0.87
PHBP-HYDROXYBENZOIC ACIDA2PHH0.87
PHBP-HYDROXYBENZOIC ACIDA1BGN0.87
PHBP-HYDROXYBENZOIC ACIDA1PXA0.87
PHBP-HYDROXYBENZOIC ACIDA1DOC0.87
PHBP-HYDROXYBENZOIC ACIDA1K0I0.87
PHBP-HYDROXYBENZOIC ACIDA1BKW0.87
PHBP-HYDROXYBENZOIC ACIDA1JD30.87
PHBP-HYDROXYBENZOIC ACIDA1PXC0.87
PHBP-HYDROXYBENZOIC ACIDA1TT80.87
PHBP-HYDROXYBENZOIC ACIDA1CJ20.87
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.87
PHBP-HYDROXYBENZOIC ACIDA1BF30.87
PHBP-HYDROXYBENZOIC ACIDB2BUR0.87
MBD3-METHYLCATECHOLA1KNF0.7
ANN4-METHOXYBENZOIC ACIDA2B960.77
ANN4-METHOXYBENZOIC ACIDA2QUE0.77
ANN4-METHOXYBENZOIC ACIDA1SV30.77
ANN4-METHOXYBENZOIC ACIDA1O2E0.77
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.77
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.72
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.83
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.71
3BZ3-chlorobenzoateX2QVZ0.75
3BZ3-chlorobenzoateX2QVX0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.82
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.82
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.8
4MA4-METHYLBENZOIC ACIDA,H2HRG0.79
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.79
1744-CHLORO-BENZOIC ACIDX3DLP0.75
1744-CHLORO-BENZOIC ACIDX1T5D0.75
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.77
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.92
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.92
MBOMERCURIBENZOIC ACIDA2QO80.82
MBOMERCURIBENZOIC ACIDA1LUG0.82
MBOMERCURIBENZOIC ACIDA2HOC0.82
MBOMERCURIBENZOIC ACIDA3EFI0.82
MBOMERCURIBENZOIC ACIDA3BL00.82
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.82
MBOMERCURIBENZOIC ACIDA3CAJ0.82
MBOMERCURIBENZOIC ACIDA1DR70.82
MBOMERCURIBENZOIC ACIDA2HL40.82
MBOMERCURIBENZOIC ACIDA2GD80.82
MBOMERCURIBENZOIC ACIDA2QP60.82
MBOMERCURIBENZOIC ACIDA2HD60.82
MBOMERCURIBENZOIC ACIDA3C7P0.82
MBOMERCURIBENZOIC ACIDA,B2JHN0.82
MBOMERCURIBENZOIC ACIDA1DR60.82
MBOMERCURIBENZOIC ACIDA2HNC0.82
MBOMERCURIBENZOIC ACIDA2QOA0.82
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.82
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.82
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.82
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.75
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.75
2LP2-ALLYLPHENOLA1OV50.73
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.82
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.75
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.72
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.79
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.79
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.79
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.79
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.79
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.79
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.79
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.79
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.79
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.79
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.79
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.79
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.82
ETY4-ethylphenolA,B,C,D2RA60.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.73
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.74
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.75
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.9
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.9
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.9
FBCA,B2B9A0.77
3CAA,B2B770.79
SYRSYRINGATEA,B1WB50.7
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.75
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.82
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.82
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.82
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.82
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.82
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.82
4FCA1YSG0.78
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.73
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE
A2E140.71
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.76
SMN(S)-MANDELIC ACIDA1MDL0.71
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.78
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.88
3HB3-HYDROXYBENZOIC ACIDA2DKH0.88
BEZBENZOIC ACIDA,B2F8D0.82
BEZBENZOIC ACIDA,B1A8U0.82
BEZBENZOIC ACIDA,B1REE0.82
BEZBENZOIC ACIDA1L7Q0.82
BEZBENZOIC ACIDA1I690.82
BEZBENZOIC ACIDH,L1RUL0.82
BEZBENZOIC ACIDA,B3CCF0.82
BEZBENZOIC ACIDA1W9Q0.82
BEZBENZOIC ACIDA,B,G,J2DU80.82
BEZBENZOIC ACIDH,L1RUA0.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.82
BEZBENZOIC ACIDH,L1RU90.82
BEZBENZOIC ACIDA,B,C,D2V320.82
BEZBENZOIC ACIDA2QMQ0.82
BEZBENZOIC ACIDA1UKB0.82
BEZBENZOIC ACIDA,B1RED0.82
BEZBENZOIC ACIDA,B1OC30.82
BEZBENZOIC ACIDA,B1REF0.82
BEZBENZOIC ACIDA,B2O020.82
BEZBENZOIC ACIDA,B2VJ10.82
BEZBENZOIC ACIDA,B,C1WSP0.82
BEZBENZOIC ACIDA1HZ40.82
BEZBENZOIC ACIDA2Q380.82
BEZBENZOIC ACIDA,B,C,D1UUJ0.82
BEZBENZOIC ACIDA,B2QL80.82
BEZBENZOIC ACIDA2Q0I0.82
BEZBENZOIC ACIDA,B1S8F0.82
BEZBENZOIC ACIDD,E,F,G,H1DJR0.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.82
BEZBENZOIC ACIDA,B,C,D1I7Q0.82
BEZBENZOIC ACIDA,B,C,D2RHM0.82
BEZBENZOIC ACIDA,B2F780.82
BEZBENZOIC ACIDA,B2VL20.82
BEZBENZOIC ACIDA1HD20.82
BEZBENZOIC ACIDA1JU40.82
BEZBENZOIC ACIDH,L2AJY0.82
BEZBENZOIC ACIDA,B,C3GV10.82
BEZBENZOIC ACIDA2Q6U0.82
BEZBENZOIC ACIDA,B1VE90.82
BEZBENZOIC ACIDA,B1S9A0.82
BEZBENZOIC ACIDH,L,M1OP30.82
BEZBENZOIC ACIDA1W9E0.82
BEZBENZOIC ACIDA,B,C,D2V2G0.82
BEZBENZOIC ACIDH,L2AK10.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.82
BEZBENZOIC ACIDA,B1GYX0.82
BEZBENZOIC ACIDA1V1T0.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.82
BEZBENZOIC ACIDA,B1HKQ0.82
BEZBENZOIC ACIDH,L1RUK0.82
BEZBENZOIC ACIDA2Q1B0.82
BEZBENZOIC ACIDH,L1RUM0.82
BEZBENZOIC ACIDA,B2F7A0.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.82
BEZBENZOIC ACIDA,B2V7B0.82
BEZBENZOIC ACIDH1NCW0.82
BEZBENZOIC ACIDA,B1TMX0.82
BEZBENZOIC ACIDA1URM0.82
BEZBENZOIC ACIDA1W9O0.82
BEZBENZOIC ACIDA,B,C,D1GXS0.82
BEZBENZOIC ACIDH1RUP0.82
BEZBENZOIC ACIDA,B,C,D1KQB0.82
BEZBENZOIC ACIDA2Q9R0.82
BEZBENZOIC ACIDD,H2OK60.82
BEZBENZOIC ACIDA,B2Q0J0.82
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.81
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.81
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.82
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.82
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.9
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.79
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.83
4HP4-HYDROXYPHENYLACETATEA2YYJ0.83
4HP4-HYDROXYPHENYLACETATEA2YYM0.83
4HP4-HYDROXYPHENYLACETATEB1AI60.83
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.83
OSB2-SUCCINYLBENZOATEA1FHV0.75
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.75
OSB2-SUCCINYLBENZOATEA,B2QVH0.75
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.7
SHASALICYLHYDROXAMIC ACIDX1V0H0.79
SHASALICYLHYDROXAMIC ACIDA2QPK0.79
SHASALICYLHYDROXAMIC ACIDA3FNL0.79
SHASALICYLHYDROXAMIC ACIDA3GCJ0.79
SHASALICYLHYDROXAMIC ACIDA1CK60.79
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.8
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.8
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.8
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
GENGENISTEINA1QKM0.72
GENGENISTEINA,B1X7J0.72
GENGENISTEINA,B2QA80.72
GENGENISTEINA1X7R0.72
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.7
AC6P-HYDROXYACETOPHENONEA2GQ80.81
AC6P-HYDROXYACETOPHENONEX2O480.81
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.76
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.76
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.76
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.76
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
HBAP-HYDROXYBENZALDEHYDEA1K030.82
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.82
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.82
HBAP-HYDROXYBENZALDEHYDEA2GQ90.82
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.82
HBAP-HYDROXYBENZALDEHYDEA1OYB0.82
26CA,B2F7I0.77
HC4A1TS60.8
HC4A3PHY0.8
HC4A3PYP0.8
HC4A1T1C0.8
HC4A1OT60.8
HC4A1TS00.8
HC4A1T1A0.8
HC4A2PYP0.8
HC4A2ZOI0.8
HC4A1OTI0.8
HC4A1XFQ0.8
HC4A2D010.8
HC4A,B,C,D,E,F,
G,H
2O7B0.8
HC4A2ZOH0.8
HC4A1GSW0.8
HC4A2QJ70.8
HC4A1F9I0.8
HC4X1UWP0.8
HC4A2PHY0.8
HC4A1T1B0.8
HC4A1F980.8
HC4A1T190.8
HC4X1UWN0.8
HC4A,B,C,D,E,F,
G,H
2O7F0.8
HC4A1UGU0.8
HC4A1TS80.8
HC4A,B1OTD0.8
HC4A1OTE0.8
HC4A1GSX0.8
HC4A1TS70.8
HC4A2PYR0.8
HC4A1S4S0.8
HC4A1GSV0.8
HC4A2I9V0.8
HC4A2QWS0.8
HC4A1XFN0.8
HC4A1S4R0.8
HC4A1T180.8
HC4A1OTA0.8
HC4A1D7E0.8
HC4A1S1Z0.8
HC4A,B,C1MZU0.8
HC4A,B1ODV0.8
HC4A,B2J3J0.8
HC4A2QJ50.8
HC4A1OTB0.8
HC4A2D020.8
HC4A1OT90.8
HC4A1NWZ0.8
HC4A1S1Y0.8
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.8
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.8
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.75
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71