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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02254827

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.75
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.72
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL		A,P,T2I9G0.73
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL		A1HWV0.73
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1MXJ0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
OX1H,Y1LO20.82
BFLA,B1Q4G0.81
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.71
FBCA,B2B9A0.88
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1DL40.73
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1I7V0.73
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1QBY0.73
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.7
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.75
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
FDSFLUORESCINH4FAB0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL		A2ROU0.73
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL		A1HX40.73
7912-PHENYLMALONIC ACIDA1O4P0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
MQ9MENAQUINONE-9C,H,L,M3D380.7
MQ9MENAQUINONE-9C,H,L,M1VRN0.7
MQ9MENAQUINONE-9C,H,L,M2I5N0.7
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.7
DIC3,4-DICHLOROISOCOUMARINA1DIC0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.83
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.83
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.77
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.76
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.77
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid		A3FUG0.82
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.77
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.75
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.71
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.73
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.73
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.73
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid		A,B,C,D2Z770.7
MQ7MENAQUINONE-7C,H,L,M1PRC0.7
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.7
MQ7MENAQUINONE-7C,H,L,M5PRC0.7
MQ7MENAQUINONE-7C,H,L,M7PRC0.7
MQ7MENAQUINONE-7C,H,L,M2PRC0.7
MQ7MENAQUINONE-7C,H,L,M1R2C0.7
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.7
MQ7MENAQUINONE-7C,H,L,M3PRC0.7
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.7
MQ7MENAQUINONE-7C,H,L,M2JBL0.7
MQ7MENAQUINONE-7C,H,L,M6PRC0.7
ANFANTHRONEH2BJM0.72
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.75
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FD00.85
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.77
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.92
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.81
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.8
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.8
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
PHTPHTHALIC ACIDA,B,C2B7P0.82
PHTPHTHALIC ACIDA3C2V0.82
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.82
PHTPHTHALIC ACIDA,B3C2R0.82
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.78
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.96
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.79
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
26CA,B2F7I0.88
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.98
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.75
EQIEQUILINA,B1EQU0.72
SMN(S)-MANDELIC ACIDA1MDL0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL		A1DJD0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.72
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE		B1O1S0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.81
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.79
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.79
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.7
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
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.71
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.75
PMAPYROMELLITIC ACIDA,B1FUP0.81
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.71
FLPFLURBIPROFENA,B,C,D3PGH0.79
FLPFLURBIPROFENA,B1CQE0.79
FLPFLURBIPROFENA,B1EQH0.79
FLPFLURBIPROFENA,B2AYL0.79
FLPFLURBIPROFENA1DVT0.79
FLPFLURBIPROFENA1R9O0.79
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B2BXE0.76
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B3D2T0.76
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.8
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.8
TRZTRAZEOLIDEA1C120.77
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE		A2Q850.73
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.82
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A,C,E,G1MZN0.82
3CAA,B2B770.71
PAC2-PHENYLACETIC ACIDB1PNL0.75
PAC2-PHENYLACETIC ACIDB1K5Q0.75
PAC2-PHENYLACETIC ACIDB1FXH0.75
PAC2-PHENYLACETIC ACIDA2ISF0.75
PAC2-PHENYLACETIC ACIDA2INE0.75
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid		A,B3BEJ0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.77
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.81
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
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.74
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.71
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.85
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.85
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.71
SAL2-HYDROXYBENZOIC ACIDA2I300.71
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.71
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.71
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.71
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.71
SAL2-HYDROXYBENZOIC ACIDA1WYG0.71
SAL2-HYDROXYBENZOIC ACIDA1JGS0.71
SAL2-HYDROXYBENZOIC ACIDX1M6E0.71
SAL2-HYDROXYBENZOIC ACIDA3B9M0.71
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.71
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.71
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.71
RMN(R)-MANDELIC ACIDA1MDL0.73
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.73
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.7
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
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID		A1BZJ0.84
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE		A,B1ZAF0.72
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.72
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.76
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.76
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID		A,D1RDT0.75
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
173BENZOYL-FORMIC ACIDA,B1SZE0.76
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.72
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.7
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.71
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.81
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.7
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.81
FHIA,B1Y1D0.74
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.81
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.7
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.81
4MA4-METHYLBENZOIC ACIDA,H2HRG0.86
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid		A,B3B6C0.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.85
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.9
4FCA1YSG0.89
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.75
EQUEQUILENINA,B1OGX0.76
EQUEQUILENINA,B,C,D,E,F1QJG0.76
EQUEQUILENINA,B1OH00.76
EQUEQUILENINA1W6Y0.76
EQUEQUILENINA,B1CQS0.76
EQUEQUILENINA1OGZ0.76
EQUEQUILENINA1GS30.76
EQUEQUILENINA1OHO0.76
IBPIBUPROFENA3FKX0.79
IBPIBUPROFENA,B2BXG0.79
IBPIBUPROFENA,B1EQG0.79
IBPIBUPROFENA,B,C2WD90.79
IBPIBUPROFENA2PWS0.79
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.92
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.92
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.7
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE		A,B1UUM0.78
PHBP-HYDROXYBENZOIC ACIDA1CJ40.72
PHBP-HYDROXYBENZOIC ACIDA1DOB0.72
PHBP-HYDROXYBENZOIC ACIDA1PXB0.72
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.72
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUV0.72
PHBP-HYDROXYBENZOIC ACIDA1PBE0.72
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.72
PHBP-HYDROXYBENZOIC ACIDA1PDH0.72
PHBP-HYDROXYBENZOIC ACIDB2BUW0.72
PHBP-HYDROXYBENZOIC ACIDA1CC40.72
PHBP-HYDROXYBENZOIC ACIDA1CC60.72
PHBP-HYDROXYBENZOIC ACIDA1IUW0.72
PHBP-HYDROXYBENZOIC ACIDA1FW90.72
PHBP-HYDROXYBENZOIC ACIDA1G810.72
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUX0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ30.72
PHBP-HYDROXYBENZOIC ACIDA1D7L0.72
PHBP-HYDROXYBENZOIC ACIDA2PHH0.72
PHBP-HYDROXYBENZOIC ACIDA1BGN0.72
PHBP-HYDROXYBENZOIC ACIDA1PXA0.72
PHBP-HYDROXYBENZOIC ACIDA1DOC0.72
PHBP-HYDROXYBENZOIC ACIDA1K0I0.72
PHBP-HYDROXYBENZOIC ACIDA1BKW0.72
PHBP-HYDROXYBENZOIC ACIDA1JD30.72
PHBP-HYDROXYBENZOIC ACIDA1PXC0.72
PHBP-HYDROXYBENZOIC ACIDA1TT80.72
PHBP-HYDROXYBENZOIC ACIDA1CJ20.72
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.72
PHBP-HYDROXYBENZOIC ACIDA1BF30.72
PHBP-HYDROXYBENZOIC ACIDB2BUR0.72
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.77
OSB2-SUCCINYLBENZOATEA1FHV0.84
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.84
OSB2-SUCCINYLBENZOATEA,B2QVH0.84