Domains

CATH

PDB Entries

PDB ID OPM Mutant Chain Formula Resolution HETNAM
Amino Acid sequence SCOPe Family Level CATH Homology Level
1a28[A][A][A]1.8
STR:PROGESTERONE
1a52[A2][A2][A2]2.8
AU:GOLD ION
EST:ESTRADIOL
1bsx[A][a][A][a][A][a]3.7
T3:3,5,3___sq___TRIIODOTHYRONINE
1db1[A][A][A]1.8
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
1dkf[AB][A2][A2]2.5
BMS:4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2___sq___]BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID
OLA:OLEIC ACID
1e3g[A][A][A]2.4
R18:(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
1e3k[A][A][A]2.8
R18:(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
1ere[A2][A2][A2]3.1
EST:ESTRADIOL
1err[A2][A2][A2]2.6
CCS:CARBOXYMETHYLATED CYSTEINE
RAL:RALOXIFENE
1exa[A][A][A]1.59
394:R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOICACID
LMU:DODECYL-ALPHA-D-MALTOSIDE
1exx[A][A][A]1.67
961:3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
LMU:DODECYL-ALPHA-D-MALTOSIDE
1fby[A2][A2][A2]2.25
9CR:(9CIS)-RETINOIC ACID
1fcx[A][A][A]1.47
184:6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
LMU:DODECYL-ALPHA-D-MALTOSIDE
1fcy[A][A][A]1.3
564:6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID
LMU:DODECYL-ALPHA-D-MALTOSIDE
1fcz[A][A][A]1.38
156:4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
LMU:DODECYL-ALPHA-D-MALTOSIDE
1fd0[A][A][A]1.38
254:6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
LMU:DODECYL-ALPHA-D-MALTOSIDE
1fm6[AB][a2][A2][a2][A2][a2]2.1
9CR:(9CIS)-RETINOIC ACID
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
1fm9[AB][a2][A2][a2][A2][a2]2.1
570:2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
9CR:(9CIS)-RETINOIC ACID
1g1u[A4][A4][A4]2.5
1g2n[A][A][A]1.65
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
1g50[A2][A2][A2]2.9
EST:ESTRADIOL
1g5y[A4][A4][A4]2
REA:RETINOIC ACID
1gs4[A][A][A]1.95
PO4:PHOSPHATE ION
ZK5:9ALPHA-FLUOROCORTISOL
1gwq[A2][a2][A2][a2][A2][a2]2.45
ZTW:RALOXIFENE CORE
1gwr[A][a][A][a][A][a]2.4
EST:ESTRADIOL
1gwx[A2][A2][A2]2.5
433:2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID
1h9u[A8][A8][A8]2.7
CL:CHLORIDE ION
LG2:6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID
NI:NICKEL (II) ION
1hg4[A3][A3][A3]2.4
LPP:2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE
1hj1[A2][A2][A2]2.3
AOE:N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE
NI:NICKEL (II) ION
PMB:PARA-MERCURY-BENZENESULFONIC ACID
1i37[A][A][A]2
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1i38[A][A][A]2
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1i7g[A][A][A]2.2
AZ2:(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID
CPQ:N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
NA:SODIUM ION
1i7i[A][A][A]2.35
AZ2:(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID
1ie8[A][A][A]1.52
KH1:5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
1ie9[A][A][A]1.4
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
1ilg[A][A][A]2.52
1ilh[A][A][A]2.76
SRL:[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
1k4w[A][a][A][a][A][a]1.9
STE:STEARIC ACID
1k74[AB][a2][A2][a2][A2][a2]2.3
544:2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONICACID
9CR:(9CIS)-RETINOIC ACID
1k7l[A][a][A][a][A][a]2.5
544:2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
YT3:YTTRIUM (III) ION
1kkq[A][a][A][a][A][a]3
471:N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE
1knu[A2][A2][A2]2.5
YPA:(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID
1kv6[A2][a2][A2][a2][A2][a2]2.7
1l2i[A2][a2][A2][a2][A2][a2]1.95
CCS:CARBOXYMETHYLATED CYSTEINE
CL:CHLORIDE ION
ETC:(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL
1l2j[A][A][A]2.95
ETC:(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL
1lv2[A][A][A]2.7
PLM:PALMITIC ACID
1m13[A][A][A]2.15
HYF:4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
1m2z[A2][a2][A2][a2][A2][a2]2.5
BOG:OCTYL BETA-D-GLUCOPYRANOSIDE
DEX:DEXAMETHASONE
1m7w[A2][A2][A2]2.8
DAO:LAURIC ACID
1mv9[A2][a2][A2][a2][A2][a2]1.9
HXA:DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
1mvc[A2][a2][A2][a2][A2][a2]1.9
BM6:4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID
1mzn[A2][a2][A2][a2][A2][a2]1.9
BM6:4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID
1n46[A2][A2][A2]2.2
PFA:[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL
1n4h[A][a][A][a][A][a]2.1
REA:RETINOIC ACID
1n83[A][A][A]1.63
CLR:CHOLESTEROL
1nav[A][A][A]2.5
IH5:{3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID
SO4:SULFATE ION
1nax[A][A][A]2.7
IH5:{3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID
1nde[A][A][A]3
MON:4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL
1nhz[A][A][A]2.3
486:11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
HEZ:HEXANE-1,6-DIOL
1nq0[A][A][A]2.4
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
ARS:ARSENIC
1nq1[A][A][A]2.9
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
ARS:ARSENIC
1nq2[A][A][A]2.4
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
ARS:ARSENIC
NA:SODIUM ION
1nq7[A][a][A][a][A][a]1.5
ARL:7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-2,4,6-TRIENOIC ACID
1nrl[A][a][A][a][A][a]2
SRL:[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
1nuo[A][A][A]3.1
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
1nyx[A2][A2][A2]2.65
DRF:(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID
1osh[A][A][A]1.8
FEX:METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4___sq___-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE
1osv[A][a][A][a][A][a]2.5
CHC:6-ETHYL-CHENODEOXYCHOLIC ACID
1ot7[A][a][A][a][A][a]2.9
CHC:6-ETHYL-CHENODEOXYCHOLIC ACID
IU5:ISO-URSODEOXYCHOLIC ACID
1ovl[A4B2][A6][A6]2.2
BR:BROMIDE ION
IOD:IODIDE ION
K:POTASSIUM ION
MSE:SELENOMETHIONINE
1p8d[A][a][A][a][A][a]2.8
CO1:17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL
1p93[A][a][A][a][A][a]2.7
DEX:DEXAMETHASONE
1pcg[A2][a2][A2][a2][A2][a2]2.7
DCY:D-CYSTEINE
EST:ESTRADIOL
1pdu[A][A][A]2.3
1pk5[A][A][A]2.4
1pq6[A2][A2][A2]2.4
965:[3-(3-{[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO}PROPOXY)PHENYL]ACETIC ACID
IPA:ISOPROPYL ALCOHOL
1pq9[A2][A2][A2]2.1
44B:1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL
BNS:BENZENESULFONIC ACID
1pqc[A2][A2][A2]2.8
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
1prg[A2][A2][A2]2.2
1pzl[A][a][A][a][A][a]2.1
MYR:MYRISTIC ACID
1q4x[A][A][A]2.8
G24:[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID
1qkm[A2][A2][A2]1.8
GEN:GENISTEIN
1qkn[A2][A2][A2]2.25
ACT:ACETATE ION
RAL:RALOXIFENE
1qkt[A2][A2][A2]2.2
EST:ESTRADIOL
1qku[A2][A2][A2]3.2
EST:ESTRADIOL
1r1k[AB][A2][A2]2.9
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
P1A:2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE
1r20[AB][A2][A2]3
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
HWG:N-(TERT-BUTYL)-3,5-DIMETHYL-N___sq___-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE
1r5k[A2][A2][A2]2.7
GW5:(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLICACID
1r6g[A][A][A]3
442:2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL
1rdt[AB][ab][AB][ab][A2][ab]2.4
570:2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
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
1rjk[A][a][A][a][A][a]1.99
VDZ:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL
1rk3[A][a][A][a][A][a]2.2
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
1rkg[A][a][A][a][A][a]1.9
VD1:5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL
1rkh[A][a][A][a][A][a]2.28
VD2:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYL-CYCLOHEXANE-1,3-DIOL
1s0x[A][A][A]2.2
C3S:CHOLEST-5-EN-3-YL HYDROGEN SULFATE
1s0z[A][A][A]2.5
EB1:SEOCALCITOL
1s19[A][A][A]2.1
MC9:CALCIPOTRIOL
1s9p[A2][A2][A2]2.13
DES:DIETHYLSTILBESTROL
1s9q[A2][A2][A2]2.2
CHD:CHOLIC ACID
OHT:4-HYDROXYTAMOXIFEN
1sj0[A2][A2][A2]1.9
E4D:(2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL
1skx[A][A][A]2.8
RFP:RIFAMPICIN
1sqn[A][A][A]1.45
NDR:(14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE
1sr7[A2][A2][A2]1.46
GOL:GLYCEROL
MOF:MOMETASONE FUROATE
SO4:SULFATE ION
1t5z[A][a][A][a][A][a]2.3
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1t63[A][a][A][a][A][a]2.07
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1t65[A][a][A][a][A][a]1.66
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1t73[A][a][A][a][A][a]2.2
DHT:5-ALPHA-DIHYDROTESTOSTERONE
SO4:SULFATE ION
1t74[A][a][A][a][A][a]2
DHT:5-ALPHA-DIHYDROTESTOSTERONE
EDO:1,2-ETHANEDIOL
SO4:SULFATE ION
1t76[A][a][A][a][A][a]2.1
DHT:5-ALPHA-DIHYDROTESTOSTERONE
EDO:1,2-ETHANEDIOL
NA:SODIUM ION
SO4:SULFATE ION
1t79[A][a][A][a][A][a]1.8
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1t7f[A][a][A][a][A][a]1.6
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1t7m[A][a][A][a][A][a]1.6
DHT:5-ALPHA-DIHYDROTESTOSTERONE
EDO:1,2-ETHANEDIOL
SO4:SULFATE ION
1t7r[A][a][A][a][A][a]1.4
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1t7t[A][A][A]1.7
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1tfc[A2][a2][A2][a2][A2][a2]2.4
1txi[A][A][A]1.9
TX5:(1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL
1u3q[A2][A2][A2]2.4
272:4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL
1u3r[A2][a2][A2][a2][A2][a2]2.21
338:2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL
1u3s[A2][a2][A2][a2][A2][a2]2.5
797:3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL
1u9e[A][a][A][a][A][a]2.4
397:2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL
1uhl[AB][a2][AB][a2][A2][a2]2.9
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
MEI:(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOICACID
1uom[A2][A2][A2]2.28
PTI:2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL
1upv[A][A][A]2.1
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
1upw[A][A][A]2.4
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
1vjb[A2][A2][A2]3.2
OHT:4-HYDROXYTAMOXIFEN
1wm0[A][a][A][a][A][a]2.9
PLB:2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
1x76[A2][a2][A2][a2][A2][a2]2.2
697:5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE
1x78[A2][a2][A2][a2][A2][a2]2.3
244:[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
1x7b[A2][a2][A2][a2][A2][a2]2.3
041:2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL
1x7e[A2][a2][A2][a2][A2][a2]2.8
244:[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
1x7j[A2][a2][A2][a2][A2][a2]2.3
GEN:GENISTEIN
1x7r[A2][a2][A2][a2][A2][a2]2
GEN:GENISTEIN
1xap[A][A][A]2.1
TTB:4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID
1xb7[A2][a2][A2][a2][A2][a2]2.5
IOD:IODIDE ION
1xdk[AB][a2][A2][a2][A2][a2]2.9
9CR:(9CIS)-RETINOIC ACID
1xiu[A4][a4][A4][a4][A4][a4]2.5
9CR:(9CIS)-RETINOIC ACID
1xj7[A][a][A][a][A][a]2.7
DHT:5-ALPHA-DIHYDROTESTOSTERONE
1xls[AB][a2][A2][a2][A2][a2]2.96
9CR:(9CIS)-RETINOIC ACID
TCD:3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE
1xnn[A][A][A]2.2
HYQ:REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE
1xnx[A2][A2][A2]2.9
ATE:16,17-ANDROSTENE-3-OL
1xow[A][a][A][a][A][a]1.8
R18:(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
1xp1[A2][A2][A2]1.8
AIH:(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL
1xp6[A2][A2][A2]1.7
AIU:(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL
1xp9[A2][A2][A2]1.8
AIJ:(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL
1xpc[A2][A2][A2]1.6
AIT:(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL
1xq3[A][A][A]2.25
R18:(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
1xqc[A2][A2][A2]2.05
AEJ:(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL
1xv9[AB][a2][A2][a2][A2][a2]2.7
CI2:(5BETA)-PREGNANE-3,20-DIONE
F15:PENTADECANOIC ACID
1xvp[AB][a2][A2][a2][A2][a2]2.6
CID:6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME
F15:PENTADECANOIC ACID
1xzx[A][A][A]2.5
CAC:CACODYLATE ION
T3:3,5,3___sq___TRIIODOTHYRONINE
1y0s[A][A][A]2.65
331:(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
IOD:IODIDE ION
1y0x[A][A][A]3.1
CAC:CACODYLATE ION
T44:3,5,3___sq___,5___sq___-TETRAIODO-L-THYRONINE
1y9r[A][A][A]1.96
1CA:DESOXYCORTICOSTERONE
1ya3[A][A][A]2.34
STR:PROGESTERONE
1yim[A2][A2][A2]1.9
CM4:(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL
1yin[A2][A2][A2]2.2
CM3:(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL
1yje[A][A][A]2.4
1ymt[A][a][A][a][A][a]1.2
DR9:1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYLGLYCEROL
1yok[A][a2][A][a2][A][a2]2.5
P6L:(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL(8E)-OCTADEC-8-ENOATE
1yow[A][a][A][a][A][a]3
P0E:PHOSPHATIDYL ETHANOL
1yp0[A][a][A][a][A][a]1.5
PEF:DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE
1yuc[A][a][A][a][A][a]1.9
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
GOL:GLYCEROL
1yy4[A2][a2][A2][a2][A2][a2]2.7
4NA:1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL
1yye[A2][a2][A2][a2][A2][a2]2.03
196:3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE
1z5x[AB][AB][A2]3.07
P1A:2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE
PO4:PHOSPHATE ION
1z95[A][A][A]1.8
198:R-BICALUTAMIDE
SO4:SULFATE ION
1zaf[A2][a2][A2][a2][A2][a2]2.2
789:3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE
1zdt[A][a][A][a][A][a]2.1
PEF:DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE
1zdu[A][a2][A][a2][A][a2]2.5
P3A:PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL
TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
1zeo[A2][A2][A2]2.5
C01:(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE
1zgy[A][a][A][a][A][a]1.8
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
1zh7[A][a][A][a][A][a]2.5
1zky[A2][a2][A2][a2][A2][a2]2.25
689:4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
1zuc[A2][A2][A2]2
SO4:SULFATE ION
T98:5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
2a3i[A][a][A][a][A][a]1.95
C0R:CORTICOSTERONE
2aa2[A][A][A]1.95
AS4:ALDOSTERONE
BOG:OCTYL BETA-D-GLUCOPYRANOSIDE
GOL:GLYCEROL
SO4:SULFATE ION
2aa5[A][A][A]2.2
STR:PROGESTERONE
2aa6[A][A][A]1.95
STR:PROGESTERONE
2aa7[A][A][A]2.2
1CA:DESOXYCORTICOSTERONE
GOL:GLYCEROL
SO4:SULFATE ION
2aax[A2][A2][A2]1.75
PDN:17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE
SO4:SULFATE ION
2ab2[A2][A2][A2]1.85
SNL:SPIRONOLACTONE
SO4:SULFATE ION
2abi[A][A][A]2.33
1CA:DESOXYCORTICOSTERONE
2acl[AB][AB][A2]2.8
L05:1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE
REA:RETINOIC ACID
2am9[A][A][A]1.64
DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE
GOL:GLYCEROL
SO4:SULFATE ION
TES:TESTOSTERONE
2ama[A][A][A]1.9
DHT:5-ALPHA-DIHYDROTESTOSTERONE
SO4:SULFATE ION
2amb[A][A][A]1.75
17H:17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE
EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
GOL:GLYCEROL
SO4:SULFATE ION
2ao6[A][a][A][a][A][a]1.89
R18:(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
2ath[A2][A2][A2]2.28
3EA:2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
2awh[A2][A2][A2]2
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
VCA:VACCENIC ACID
2ax6[A][A][A]1.5
HFT:HYDROXYFLUTAMIDE
2ax7[A][A][A]1.9
FHM:S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
2ax8[A][A][A]1.7
FHM:S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
2ax9[A][A][A]1.65
BHM:(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
2axa[A][A][A]1.8
FHM:S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
2ayr[A2][A2][A2]1.9
L4G:6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL
2b1v[A2][a2][A2][a2][A2][a2]1.8
458:4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
2b1z[A2][a2][A2][a2][A2][a2]1.78
17M:17-METHYL-17-ALPHA-DIHYDROEQUILENIN
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
2b23[A2][a2][A2][a2][A2][a2]2.1
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
2b50[A][A][A]2
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
CA:CALCIUM ION
VCA:VACCENIC ACID
2baw[A][A][A]2.3
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
VCA:VACCENIC ACID
2bj4[AB][a2][AB][a2][A2][a2]2
CCS:CARBOXYMETHYLATED CYSTEINE
OHT:4-HYDROXYTAMOXIFEN
2e2r[A2][A2][A2]1.6
2OH:4,4___sq___-PROPANE-2,2-DIYLDIPHENOL
GOL:GLYCEROL
2ewp[A2][A2][A2]2.3
TXF:(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
2f4b[A][A][A]2.07
EHA:(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID
2fai[A2][a2][A2][a2][A2][a2]2.1
459:4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
2fsz[A2][A2][A2]2.2
OHT:4-HYDROXYTAMOXIFEN
2fvj[A][a][A][a][A][a]1.99
GOL:GLYCEROL
RO0:1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE
2g0g[A2][A2][A2]2.54
SP0:3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
2g0h[A2][A2][A2]2.3
SP3:N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE
2g44[A2][a2][A2][a2][A2][a2]2.65
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
T3O:4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
2g5o[A2][a2][A2][a2][A2][a2]2.3
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
DRQ:(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
2giu[A2][A2][A2]2.2
FBR:(9AS)-4-BROMO-9A-BUTYL-7-HYDROXY-1,2,9,9A-TETRAHYDRO-3H-FLUOREN-3-ONE
2gl8[A4][A4][A4]2.4
2gp7[A2][A2][A2]2.45
CA:CALCIUM ION
2gpo[A2][a2][A2][a2][A2][a2]1.95
2gpp[A2][a2][A2][a2][A2][a2]2.6
1BA:4-HYDROXY-N___sq___-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
2gpu[A2][A2][A2]1.7
OHT:4-HYDROXYTAMOXIFEN
2gpv[A4][a2][A4][a2][A4][a2]2.85
OHT:4-HYDROXYTAMOXIFEN
2gtk[A][a][A][a][A][a]2.1
208:(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID
2gwx[A][A][A]2.3
2h77[A][A][A]2.33
CAS:S-(DIMETHYLARSENIC)CYSTEINE
T3:3,5,3___sq___TRIIODOTHYRONINE
2h79[A][A][A]1.87
CAS:S-(DIMETHYLARSENIC)CYSTEINE
T3:3,5,3___sq___TRIIODOTHYRONINE
2ham[A][A][A]1.9
C33:2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3
2har[A][A][A]1.9
OCC:2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3
2has[A][A][A]1.96
C3O:2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3
2hb7[A][A][A]1.8
O1C:2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3
2hb8[A][A][A]2
MVD:2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3
2hbh[A2][a2][A2][a2][A2][a2]2.65
XE4:1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)
2hc4[A2][a2][A2][a2][A2][a2]2.2
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
2hcd[A2][a2][A2][a2][A2][a2]2.6
BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E)
2hfp[A][a][A][a][A][a]2
NSI:3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE
2hvc[A][A][A]2.1
LGD:6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE
2hwq[A4][A4][A4]1.97
DRY:[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID
2hwr[A4][A4][A4]2.34
DRD:2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID
2i0g[A2][A2][A2]2.5
I0G:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
2i0j[A2][A2][A2]2.9
I0G:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
2i4j[A2][A2][A2]2.1
DRJ:(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
2i4p[A2][A2][A2]2.1
DRH:(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
2i4z[A2][A2][A2]2.25
DRH:(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
2ihq[A][A][A]2
LG7:4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE
2iog[A2][A2][A2]1.6
IOG:N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE
2iok[A2][A2][A2]2.4
IOK:N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
2j14[A][A][A]2.8
GNI:(3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETICACID
2j4a[A][A][A]2.2
OEF:3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID
2j7x[A][a][A][a][A][a]2.1
BCT:BICARBONATE ION
EDO:1,2-ETHANEDIOL
EST:ESTRADIOL
SO4:SULFATE ION
2j7y[A][a][A][a][A][a]1.8
BCT:BICARBONATE ION
E3O:(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL
EDO:1,2-ETHANEDIOL
SO4:SULFATE ION
2jf9[A6][a6][A6][a6][A6][a6]2.1
BCT:BICARBONATE ION
CA:CALCIUM ION
EDO:1,2-ETHANEDIOL
OHT:4-HYDROXYTAMOXIFEN
2jfa[AB][a2][A2][a2][A2][a2]2.55
CCS:CARBOXYMETHYLATED CYSTEINE
RAL:RALOXIFENE
SO4:SULFATE ION
2jj3[A2][A2][A2]2.28
JJ3:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
2lbd[A][A][A]2.06
REA:RETINOIC ACID
2npa[A][a][A][a][A][a]2.3
MMB:(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL}-3-(PROPOXYIMINO)BUTANOIC ACID
2nv7[A2][a2][A2][a2][A2][a2]2.1
555:4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME
2nw4[A][A][A]3
8NH:2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE
2nxx[AB][A2][A2]2.75
P1A:2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE
2o4j[A][a][A][a][A][a]1.74
VD4:(1R,3R,7E,17Z)-17-(5-HYDROXY-1,5-DIMETHYLHEXYLIDENE)-2-METHYLENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
2o4r[A][a][A][a][A][a]1.98
VD5:(1R,3R,7E,17E)-17-(5-HYDROXY-1,5-DIMETHYLHEXYLIDENE)-2-METHYLENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
2o9i[A][a][A][a][A][a]2.8
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
2oax[A][A][A]2.29
SNL:SPIRONOLACTONE
2ocf[A2B2][A2B2][A2B2]2.95
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
EST:ESTRADIOL
2om9[A][A][A]2.8
AJA:(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID
2ouz[A2][A2][A2]2
C3D:(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL
2ovh[A][a][A][a][A][a]2
AS0:4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME
2ovm[A][a][A][a][A][a]2.6
AS0:4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME
2oz7[A][A][A]1.8
CA4:CYPROTERONE ACETATE
2p15[A2][a2][A2][a2][A2][a2]1.94
EZT:(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL
2p1t[A2][a2][A2][a2][A2][a2]1.8
3TN:(2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID
2p1u[A2][a2][A2][a2][A2][a2]2.2
4TN:(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLICACID
2p1v[A2][a2][A2][a2][A2][a2]2.2
5TN:(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID
2p4y[A2][A2][A2]2.25
C03:(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID
TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
2p54[A][a][A][a][A][a]1.79
735:2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID
2p7a[A][A][A]2.3
43M:4-CHLORO-3-METHYLPHENOL
2p7g[A][A][A]2.1
2OH:4,4___sq___-PROPANE-2,2-DIYLDIPHENOL
NA:SODIUM ION
2p7z[A][A][A]2.5
OHT:4-HYDROXYTAMOXIFEN
2pin[A2][A2][A2]2.3
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
LEG:1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
SO4:SULFATE ION
2pio[A][A][A]2.03
2MI:2-METHYL-1H-INDOLE
DHT:5-ALPHA-DIHYDROTESTOSTERONE
SO4:SULFATE ION
2pip[A][A][A]1.8
DHT:5-ALPHA-DIHYDROTESTOSTERONE
ICO:1H-INDOLE-3-CARBOXYLIC ACID
K10:1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
SO4:SULFATE ION
2piq[A][A][A]2.4
DHT:5-ALPHA-DIHYDROTESTOSTERONE
RB1:3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL
SO4:SULFATE ION
2pir[A][A][A]2.1
DHT:5-ALPHA-DIHYDROTESTOSTERONE
NK:SALICYLALDEHYDE
SO4:SULFATE ION
2pit[A][A][A]1.76
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
DHT:5-ALPHA-DIHYDROTESTOSTERONE
SO4:SULFATE ION
2piu[A][A][A]2.12
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
DHT:5-ALPHA-DIHYDROTESTOSTERONE
2piv[A][A][A]1.95
DHT:5-ALPHA-DIHYDROTESTOSTERONE
SO4:SULFATE ION
T3:3,5,3___sq___TRIIODOTHYRONINE
2piw[A][A][A]2.58
DHT:5-ALPHA-DIHYDROTESTOSTERONE
T3:3,5,3___sq___TRIIODOTHYRONINE
2pix[A][A][A]2.4
DHT:5-ALPHA-DIHYDROTESTOSTERONE
FLF:2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID
2pjl[A6][A6][A6]2.3
047:1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE
2pkl[A][a][A][a][A][a]2.49
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
DHT:5-ALPHA-DIHYDROTESTOSTERONE
2pnu[A][A][A]1.65
DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE
ENM:(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
MES:2-(N-MORPHOLINO)-ETHANESULFONIC ACID
SO4:SULFATE ION
2pob[A2][A2][A2]2.3
GOL:GLYCEROL
GW4:N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
2pog[A2][A2][A2]1.84
WST:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL
2prg[A][A][A]2.3
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
2q1h[A][A][A]1.9
AS4:ALDOSTERONE
GOL:GLYCEROL
NA:SODIUM ION
2q1v[A][A][A]1.95
GOL:GLYCEROL
PDN:17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE
2q3y[A][a][A][a][A][a]2.4
1CA:DESOXYCORTICOSTERONE
GOL:GLYCEROL
2q59[AB][A2][A2]2.2
240:(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
2q5g[A][A][A]2.7
1FA:[(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]ACETIC ACID
2q5p[A2][A2][A2]2.3
241:(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
2q5s[A2][A2][A2]2.05
NZA:5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
2q60[A4][A4][A4]2.9
2q61[A2][A2][A2]2.2
SF1:1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLICACID
2q6j[A2][a2][A2][a2][A2][a2]2.7
A48:4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL
2q6r[A2][A2][A2]2.41
SF2:5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
2q6s[A2][A2][A2]2.4
PLB:2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
2q70[A2][A2][A2]1.95
DC8:(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
2q7i[A][a][A][a][A][a]1.87
GOL:GLYCEROL
SO4:SULFATE ION
TES:TESTOSTERONE
2q7j[A][a][A][a][A][a]1.9
GOL:GLYCEROL
SO4:SULFATE ION
TES:TESTOSTERONE
2q7k[A][a][A][a][A][a]1.8
GOL:GLYCEROL
SO4:SULFATE ION
TES:TESTOSTERONE
2q7l[A][a][A][a][A][a]1.92
GOL:GLYCEROL
TES:TESTOSTERONE
2q8s[A2][A2][A2]2.3
L92:(2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID
2qa6[A2][a2][A2][a2][A2][a2]2.6
KN2:4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
2qa8[AB][a2][A2][a2][A2][a2]1.85
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
GEN:GENISTEIN
2qab[A2][a2][A2][a2][A2][a2]1.89
EI1:3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
2qe4[A2][A2][A2]2.4
JJ3:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
2qgt[A2][a2][A2][a2][A2][a2]2.15
EED:(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL
2qgw[A2][a2][A2][a2][A2][a2]2.39
EES:3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
2qh6[A2][a2][A2][a2][A2][a2]2.7
ODE:DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE
2qmv[A][A][A]NOTAPPLICABLE.
2qnv[A2][A2][A2]2.8
CDZ:3,5-DIHYDROXY-4,6,6-TRIS(3-METHYLBUT-2-EN-1-YL)-2-(2-METHYLPROPANOYL)CYCLOHEXA-2,4-DIEN-1-ONE
2qpy[A][a][A][a][A][a]2.5
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
DHT:5-ALPHA-DIHYDROTESTOSTERONE
2qr9[A2][a2][A2][a2][A2][a2]2
HZ3:DIMETHYL (1R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2,3-DICARBOXYLATE
2qse[A2][a2][A2][a2][A2][a2]1.85
1HP:4-(2-AMINO-1-METHYL-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)PHENOL
2qtu[A2][A2][A2]2.53
3AS:(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
2qw4[A][A][A]2.8
2qxm[A2][a2][A2][a2][A2][a2]2.3
PIQ:2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
2qxs[A2][A2][A2]1.7
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
RAL:RALOXIFENE
2qzo[AB][a2][A2][a2][A2][a2]1.72
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
KN1:4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL
2r40[AB][A2][A2]2.4
20E:(2BETA,3BETA,5BETA,22R)-2,3,14,20,22,25-HEXAHYDROXYCHOLEST-7-EN-6-ONE
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
FLC:CITRATE ANION
GOL:GLYCEROL
SO4:SULFATE ION
2r6w[A2][A2][A2]2
LLB:[6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIEN-3-YL]{4-[2-(4-METHYLPIPERIDIN-1-YL)ETHOXY]PHENYL}METHANONE
2r6y[A2][A2][A2]2
LLC:[6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIEN-3-YL][4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]METHANONE
2rew[A][A][A]2.35
CPQ:N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
REW:(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID
2v0v[A][A][A]2.4
2v7c[A][A][A]2.4
MSE:SELENOMETHIONINE
2vsr[A][A][A]2.05
9HO:(9S,10E,12Z)-9-HYDROXYOCTADECA-10,12-DIENOIC ACID
2vst[A][A][A]2.35
243:(9Z,11E,13S)-13-HYDROXYOCTADECA-9,11-DIENOIC ACID
2vv0[A][A][A]2.55
HXA:DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
2vv1[A][A][A]2.2
4HD:(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-HYDROXYDOCOSA-5,7,10,13,16,19-HEXAENOIC ACID
2vv2[A][A][A]2.75
5HE:(5R,6E,8Z,11Z,14Z,17Z)-5-HYDROXYICOSA-6,8,11,14,17-PENTAENOIC ACID
2vv3[A][A][A]2.85
4R8:(6E,10Z,13Z,16Z,19Z)-4-OXODOCOSA-6,10,13,16,19-PENTAENOIC ACID
2vv4[A][A][A]2.35
6OB:(8E,10S,12Z)-10-HYDROXY-6-OXOOCTADECA-8,12-DIENOIC ACID
6OC:(8R,9Z,12Z)-8-HYDROXY-6-OXOOCTADECA-9,12-DIENOIC ACID
2w8y[A][A][A]1.8
486:11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
EDO:1,2-ETHANEDIOL
NDR:(14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE
SO4:SULFATE ION
2xhs[A][a][A][a][A][a]2.8
MSE:SELENOMETHIONINE
2xkw[A][A][A]2.02
EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
P1B:(5R)-5-{4-[2-(5-ETHYLPYRIDIN-2-YL)ETHOXY]BENZYL}-1,3-THIAZOLIDINE-2,4-DIONE
PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL
2xyj[A][A][A]2.3
1PE:PENTAETHYLENE GLYCOL
WLM:5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE
2xyw[A][A][A]3.14
08S:3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE
BOG:OCTYL BETA-D-GLUCOPYRANOSIDE
2xyx[A][A][A]2.7
BOG:OCTYL BETA-D-GLUCOPYRANOSIDE
Z00:4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE
2yat[A2][A2][A2]2.6
EEU:ESTRADIOL-PYRIDINIUM TETRAACETIC ACID
EU:EUROPIUM ION
FMT:FORMIC ACID
2yfe[A][A][A]2
YFE:AMORFRUTIN 1
2yhd[A][A][A]2.2
AV6:4-(1H-PERIMIDIN-2-YL)BENZENE-1,2-DIOL
SO4:SULFATE ION
TES:TESTOSTERONE
2yja[A2][a2][A2][a2][A2][a2]1.82
ACE:ACETYL GROUP
EST:ESTRADIOL
MK8:2-METHYL-L-NORLEUCINE
NH2:AMINO GROUP
2yjd[A2][a2][A2][a2][A2][a2]1.93
ACE:ACETYL GROUP
MK8:2-METHYL-L-NORLEUCINE
NH2:AMINO GROUP
YJD:4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL
2ylo[A][A][A]2.5
SO4:SULFATE ION
TES:TESTOSTERONE
YLO:1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE
2ylp[A][A][A]2.3
056:3-[(2,4-DICHLOROPHENYL)METHYLSULFANYLMETHYL]BENZOIC ACID
SO4:SULFATE ION
TES:TESTOSTERONE
2ylq[A][A][A]2.4
SO4:SULFATE ION
TES:TESTOSTERONE
YLQ:3-[1-[2-(4-METHYLPHENOXY)ETHYL]BENZIMIDAZOL-2-YL]SULFANYLPROPANOIC ACID
2yly[A2][A2][A2]3.2
SO4:SULFATE ION
SU4:N-CYCLOPROPYL-4-OXIDANYL-N-[(2R)-2-OXIDANYL-2-PHENYL-PROPYL]BENZENESULFONAMIDE
2z4b[A2][A2][A2]2.34
DC8:(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
2z4j[A][a][A][a][A][a]2.6
DHT:5-ALPHA-DIHYDROTESTOSTERONE
2zas[A2][A2][A2]2
1OH:4-(1-METHYL-1-PHENYLETHYL)PHENOL
GOL:GLYCEROL
2zbs[A2][A2][A2]1.8
2zfx[A][a][A][a][A][a]1.99
YR3:(2S)-3-{4-[1-ETHYL-1-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PROPYL]-2-METHYLPHENOXY}PROPANE-1,2-DIOL
2zk0[A2][A2][A2]2.36
2zk1[A2][A2][A2]2.61
PTG:(5E,14E)-11-OXOPROSTA-5,9,12,14-TETRAEN-1-OIC ACID
2zk2[A2][A2][A2]2.26
GSH:GLUTATHIONE
PTG:(5E,14E)-11-OXOPROSTA-5,9,12,14-TETRAEN-1-OIC ACID
2zk3[A2][A2][A2]2.58
OCX:(5E,11E,14E)-8-OXOICOSA-5,9,11,14-TETRAENOIC ACID
2zk4[A2][A2][A2]2.57
OCR:(5E,8E,11Z,13E)-15-OXOICOSA-5,8,11,13-TETRAENOIC ACID
2zk5[A2][A2][A2]2.45
NRO:3-[5-(2-NITROPENT-1-EN-1-YL)FURAN-2-YL]BENZOIC ACID
2zk6[A2][A2][A2]2.41
C08:DIFLUORO(5-{2-[(5-OCTYL-1H-PYRROL-2-YL-KAPPAN)METHYLIDENE]-2H-PYRROL-5-YL-KAPPAN}PENTANOATO)BORON
2zkc[A2][A2][A2]1.7
BPZ:4,4___sq___-CYCLOHEXANE-1,1-DIYLDIPHENOL
GOL:GLYCEROL
2zl9[A][a][A][a][A][a]1.9
VDA:(1R,2R,3R,5Z)-17-{(1S)-1-[(2-ETHYL-2-HYDROXYBUTYL)SULFANYL]ETHYL}-2-(2-HYDROXYETHOXY)-9,10-SECOESTRA-5,7,16-TRIENE-1,3-DIOL
2zla[A][a][A][a][A][a]2
VDB:(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ETHYL-2-HYDROXYBUTYL)SULFANYL]ETHYL}-2-(2-HYDROXYETHOXY)-9,10-SECOESTRA-5,7,16-TRIENE-1,3-DIOL
2zlc[A][a][A][a][A][a]2
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
2zmh[A][a][A][a][A][a]2.1
NYA:(1R,3R,7E,17BETA)-17-{(1R,2E,4R)-4-HYDROXY-1-METHYL-4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]BUT-2-EN-1-YL}-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
2zmi[A][a][A][a][A][a]1.7
EDO:1,2-ETHANEDIOL
FMT:FORMIC ACID
TT2:(1R,3R,7E,17BETA)-17-{(1S,2E,5R)-5-HYDROXY-1-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PENT-2-EN-1-YL}-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
2zmj[A][a][A][a][A][a]2.35
MI4:(1R,3R,7E,17BETA)-17-{(1S,2E,5R)-5-HYDROXY-1-METHYL-6-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]HEX-2-EN-1-YL}-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
2znn[A][A][A]2.01
S44:(2S)-2-(4-PROPOXY-3-{[({4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PHENYL}CARBONYL)AMINO]METHYL}BENZYL)BUTANOIC ACID
2zno[A2][A2][A2]2.4
S44:(2S)-2-(4-PROPOXY-3-{[({4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PHENYL}CARBONYL)AMINO]METHYL}BENZYL)BUTANOIC ACID
2znp[A2][A2][A2]3
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
K55:(2S)-2-{4-BUTOXY-3-[({[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]CARBONYL}AMINO)METHYL]BENZYL}BUTANOIC ACID
2znq[A2][A2][A2]2.65
401:(2S)-2-{3-[({[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]CARBONYL}AMINO)METHYL]-4-METHOXYBENZYL}BUTANOICACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
2zvt[A2][A2][A2]1.9
PTG:(5E,14E)-11-OXOPROSTA-5,9,12,14-TETRAEN-1-OIC ACID
2zxm[A][A][A]3.01
JB1:(1R,3S,5Z)-5-[(2E)-2-[(1R,3AS,7AR)-1-[(2R,3S)-3-(2-HYDROXYETHYL)HEPTAN-2-YL]-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
2zxn[A][A][A]2.1
JC1:(1R,3S,5Z)-5-[(2E)-2-[(1R,3AS,7AR)-1-[(2S,3S)-3-(2-HYDROXYETHYL)HEPTAN-2-YL]-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
2zxz[A2][a2][A2][a2][A2][a2]3
P26:4-[2-(1,1,3,3-TETRAMETHYL-2,3-DIHYDRO-1H-INDEN-5-YL)-1,3-DIOXOLAN-2-YL]BENZOIC ACID
2zy0[A2][a2][A2][a2][A2][a2]2.9
21P:4-[2-(1,1,3,3-TETRAMETHYL-2,3-DIHYDRO-1H-1,3-BENZODISILOL-5-YL)-1,3-DIOXOLAN-2-YL]BENZOIC ACID
3a2h[A][a][A][a][A][a]2.5
TEJ:(1S,3R,5Z,7E,20S,23S)-1,3-DIHYDROXY-23,26-EPOXY-9,10-SECOCHOLESTA-5,7,10,25(27)-TETRAEN-26-ONE
3a2i[A][A][A]3.27
TEJ:(1S,3R,5Z,7E,20S,23S)-1,3-DIHYDROXY-23,26-EPOXY-9,10-SECOCHOLESTA-5,7,10,25(27)-TETRAEN-26-ONE
3a2j[A][A][A]2.7
TEJ:(1S,3R,5Z,7E,20S,23S)-1,3-DIHYDROXY-23,26-EPOXY-9,10-SECOCHOLESTA-5,7,10,25(27)-TETRAEN-26-ONE
3a3z[A][A][A]1.72
2MV:(1S,2S,3R,5Z,7E,14BETA,17ALPHA)-17-[(2S,4S)-4-(2-HYDROXY-2-METHYLPROPYL)-2-METHYLTETRAHYDROFURAN-2-YL]-2-METHYL-9,10-SECOANDROSTA-5,7,10-TRIENE-1,3-DIOL
SO4:SULFATE ION
3a40[A][A][A]1.45
23R:(1S,2S,3R,5Z,7E,14BETA,17ALPHA,23R)-23-(2-HYDROXY-2-METHYLPROPYL)-2-METHYL-20,24-EPOXY-9,10-SECOCHOLA-5,7,10-TRIENE-1,3-DIOL
SO4:SULFATE ION
3a78[A][A][A]1.9
3EV:(1S,3S,5Z,7E,14BETA,17ALPHA)-9,10-SECOCHOLESTA-5,7,10-TRIENE-1,3,25-TRIOL
SO4:SULFATE ION
3a9e[AB][a][AB][a][A2][a]2.75
754:(2E,4E,6Z)-3-METHYL-7-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)OCTA-2,4,6-TRIENOICACID
REA:RETINOIC ACID
3ads[A2][A2][A2]2.25
IMN:INDOMETHACIN
3adt[A2][A2][A2]2.7
HID:(5-HYDROXY-1H-INDOL-3-YL)ACETIC ACID
3adu[A2][A2][A2]2.77
MYI:(5-METHOXY-1H-INDOL-3-YL)ACETIC ACID
3adv[A2][A2][A2]2.27
SRO:SEROTONIN
3adw[A2][A2][A2]2.07
MYI:(5-METHOXY-1H-INDOL-3-YL)ACETIC ACID
OCR:(5E,8E,11Z,13E)-15-OXOICOSA-5,8,11,13-TETRAENOIC ACID
3adx[A2][A2][A2]1.95
IMN:INDOMETHACIN
NRO:3-[5-(2-NITROPENT-1-EN-1-YL)FURAN-2-YL]BENZOIC ACID
3afr[A][a][A][a][A][a]2
ICJ:(1R,3S,5Z)-5-[(2E)-2-{(1R,3AS,7AR)-1-[(1R,2S,4R)-2-BUTYL-4-HYDROXY-1,5-DIMETHYLHEXYL]-7A-METHYLOCTAHYDRO-4H-INDEN-4-YLIDENE}ETHYLIDENE]-4-METHYLIDENECYCLOHEXANE-1,3-DIOL
3an3[A2][A2][A2]2.3
M7S:(2S)-2-BENZYL-3-(4-PROPOXY-3-{[({4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PHENYL}CARBONYL)AMINO]METHYL}PHENYL)PROPANOIC ACID
3an4[A2][A2][A2]2.3
M7R:(2R)-2-BENZYL-3-(4-PROPOXY-3-{[({4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PHENYL}CARBONYL)AMINO]METHYL}PHENYL)PROPANOIC ACID
3aun[A][a][A][a][A][a]1.81
YR4:(2R)-2-{4-[3-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PENTAN-3-YL]-2-METHYLPHENOXY}BUTANE-1,4-DIOL
3auq[A][A][A]2.64
CA9:(1R,2S,3R)-5-[2-[(1R,3AS,7AR)-1-[(2R)-6-HYDROXY-6-METHYL-HEPTAN-2-YL]-7A-METHYL-1,2,3,3A,6,7-HEXAHYDROINDEN-4-YL]ETHYNYL]-2-METHYL-CYCLOHEX-4-ENE-1,3-DIOL
3aur[A][A][A]2.21
CA9:(1R,2S,3R)-5-[2-[(1R,3AS,7AR)-1-[(2R)-6-HYDROXY-6-METHYL-HEPTAN-2-YL]-7A-METHYL-1,2,3,3A,6,7-HEXAHYDROINDEN-4-YL]ETHYNYL]-2-METHYL-CYCLOHEX-4-ENE-1,3-DIOL
3ax8[A][A][A]2.6
EIM:(1R,3S,5Z)-5-[(2E)-2-[(1R,3S,3AS,7AR)-1-[(2R)-6-HYDROXY-6-METHYL-HEPTAN-2-YL]-3-METHOXY-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
3az1[A][A][A]1.5
DS2:{4-[3-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PENTAN-3-YL]-2-METHYLPHENOXY}ACETIC ACID
3az2[A][A][A]1.69
DS3:5-{4-[3-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PENTAN-3-YL]-2-METHYLPHENOXY}PENTANOICACID
3az3[A][A][A]1.36
DS6:(4S)-4-HYDROXY-5-[4-(3-{4-[(3S)-3-HYDROXY-4,4-DIMETHYLPENTYL]-3-METHYLPHENYL}PENTAN-3-YL)-2-METHYLPHENOXY]PENTANOIC ACID
3b0q[A2][A2][A2]2.1
MC5:(5S)-5-({6-[(2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}METHYL)-1,3-THIAZOLIDINE-2,4-DIONE
3b0r[A2][A2][A2]2.15
GW9:2-CHLORO-5-NITRO-N-PHENYLBENZAMIDE
3b0t[A][A][A]1.3
MCZ:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-(3-HYDROXY-3-METHYLBUTOXY)-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL
SO4:SULFATE ION
3b0w[A][A][A]2.2
DGX:DIGOXIN
3b1m[A][a][A][a][A][a]1.6
KRC:(9AS)-8-ACETYL-N-[(2-ETHYLNAPHTHALEN-1-YL)METHYL]-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE
3b3k[A2][A2][A2]2.6
LRG:(2S)-2-(BIPHENYL-4-YLOXY)-3-PHENYLPROPANOIC ACID
3b5r[A][A][A]1.8
B5R:(2S)-3-(4-CHLORO-3-FLUOROPHENOXY)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-2-HYDROXY-2-METHYLPROPANAMIDE
3b65[A][A][A]1.8
3B6:(2S)-N-(4-CYANO-3-IODOPHENYL)-3-(4-CYANOPHENOXY)-2-HYDROXY-2-METHYLPROPANAMIDE
3b66[A][A][A]1.65
B66:4-{[(1R,2S)-1,2-DIHYDROXY-2-METHYL-3-(4-NITROPHENOXY)PROPYL]AMINO}-2-(TRIFLUOROMETHYL)BENZONITRILE
3b67[A][A][A]1.9
B67:(2S)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]-3-(PENTAFLUOROPHENOXY)PROPANAMIDE
3b68[A][A][A]1.9
B68:(2S)-3-[4-(ACETYLAMINO)PHENOXY]-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
3bc5[A][A][A]2.27
ZAA:(5-{3-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]BENZYL}-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETICACID
3bej[A][a][A][a][A][a]1.9
MUF:(8ALPHA,10ALPHA,13ALPHA,17BETA)-17-[(4-HYDROXYPHENYL)CARBONYL]ANDROSTA-3,5-DIENE-3-CARBOXYLIC ACID
YT3:YTTRIUM (III) ION
3bqd[A][a][A][a][A][a]2.5
DAY:1-[(1R,2R,3AS,3BS,10AR,10BS,11S,12AS)-1,11-DIHYDROXY-2,5,10A,12A-TETRAMETHYL-7-PHENYL-1,2,3,3A,3B,7,10,10A,10B,11,12,12A-DODECAHYDROCYCLOPENTA[5,6]NAPHTHO[1,2-F]INDAZOL-1-YL]-2-HYDROXYETHANONE
3cdp[A2][A2][A2]2.8
YRG:(2S)-2-(4-CHLOROPHENOXY)-3-PHENYLPROPANOIC ACID
3cds[A2][A2][A2]2.65
GRR:(2S)-2-(4-ETHYLPHENOXY)-3-PHENYLPROPANOIC ACID
3cjw[A][A][A]1.48
3cld[A2][a2][A2][a2][A2][a2]2.84
GW6:(6ALPHA,11ALPHA,14BETA,16ALPHA,17ALPHA)-6,9-DIFLUORO-17-{[(FLUOROMETHYL)SULFANYL]CARBONYL}-11-HYDROXY-16-METHYL-3-OXOAN DROSTA-1,4-DIEN-17-YL FURAN-2-CARBOXYLATE
3cqv[A][A][A]1.9
HEM:PROTOPORPHYRIN IX CONTAINING FE
MSE:SELENOMETHIONINE
3cs4[A][A][A]2
COV:(1S,3R,5Z,7E,14BETA,17ALPHA)-17-[(2S,4S)-4-(2-HYDROXY-2-METHYLPROPYL)-2-METHYLTETRAHYDROFURAN-2-YL]-9,10-SECOANDROSTA-5,7,10-TRIENE-1,3-DIOL
3cs6[A][A][A]1.8
0CO:(1S,3R,5Z,7E,14BETA,17ALPHA,23R)-23-(2-HYDROXY-2-METHYLPROPYL)-20,24-EPOXY-9,10-SECOCHOLA-5,7,10-TRIENE-1,3-DIOL
3cs8[A][a][A][a][A][a]2.3
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
SO4:SULFATE ION
3ctb[A][A][A]2
3cwd[A][a][A][a][A][a]2.4
LNA:(9E,12Z)-10-NITROOCTADECA-9,12-DIENOIC ACID
LNB:(9Z,12E)-12-NITROOCTADECA-9,12-DIENOIC ACID
3d24[A2][a2][A2][a2][A2][a2]2.11
3d57[A2][A2][A2]2.2
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
SO4:SULFATE ION
3d5f[A2][A2][A2]2.2
L41:{4-[3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPOXY]PHENOXY}ACETIC ACID
3d6d[A2][A2][A2]2.4
LRG:(2S)-2-(BIPHENYL-4-YLOXY)-3-PHENYLPROPANOIC ACID
3d90[A][A][A]2.26
NOG:13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE
3dct[A][a][A][a][A][a]2.5
064:3-[(E)-2-(2-CHLORO-4-{[3-(2,6-DICHLOROPHENYL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}PHENYL)ETHENYL]BENZOIC ACID
3dcu[A][a][A][a][A][a]2.95
O62:6-(4-{[3-(2,6-DICHLOROPHENYL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}PHENYL)NAPHTHALENE-1-CARBOXYLICACID
3dr1[A2][a2][A2][a2][A2][a2]2.7
C5D:(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-TRIMETHYL-3-[6,6,6-TRIFLUORO-5-HYDROXY-5-(TRIFLUOROMETHYL)HEX-3-YN-1-YL]CYCLOPENTYL}PROP-2-EN-1-YLIDENE]CYCLOHEXANE-1,3-DIOL
MG:MAGNESIUM ION
3dt3[A2][A2][A2]2.4
369:5-(4-HYDROXYPHENOXY)-6-(3-HYDROXYPHENYL)-7-METHYLNAPHTHALEN-2-OL
3dy6[A2][A2][A2]2.9
DY6:2-({[3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YLSULFONYL)PHENYL]CARBONYL}AMINO)BENZOIC ACID
IOD:IODIDE ION
3dzu[AB][a2](AB)[AB][a2](AB)[A2][a2](AB)3.2
9CR:(9CIS)-RETINOIC ACID
PLB:2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
ZN:ZINC ION
3dzy[AB][a2](AB)[AB][a2](AB)[A2][a2](AB)3.1
9CR:(9CIS)-RETINOIC ACID
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
ZN:ZINC ION
3e00[AB][a2](AB)[AB][a2](AB)[A2][a2](AB)3.1
9CR:(9CIS)-RETINOIC ACID
GW9:2-CHLORO-5-NITRO-N-PHENYLBENZAMIDE
ZN:ZINC ION
3e7c[A2][a2][A2][a2][A2][a2]2.15
866:5-AMINO-N-[(2S)-2-({[(2,6-DICHLOROPHENYL)CARBONYL](ETHYL)AMINO}METHYL)-3,3,3-TRIFLUORO-2-HYDROXYPROPYL]-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
GOL:GLYCEROL
3e94[A2][a2][A2][a2][A2][a2]1.9
ACT:ACETATE ION
TBY:TRIBUTYLSTANNANYL
3erd[A2][a2][A2][a2][A2][a2]2.03
ACY:ACETIC ACID
CL:CHLORIDE ION
DES:DIETHYLSTILBESTROL
3ert[A2][A2][A2]1.9
OHT:4-HYDROXYTAMOXIFEN
3et0[A][A][A]2.4
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
ET0:3-(5-METHOXY-1H-INDOL-3-YL)PROPANOIC ACID
GLC:ALPHA-D-GLUCOPYRANOSE
3et1[A][a][A][a][A][a]2.5
ET1:3-{5-METHOXY-1-[(4-METHOXYPHENYL)SULFONYL]-1H-INDOL-3-YL}PROPANOIC ACID
3et2[A][A][A]2.24
1BO:1-BUTANOL
ET1:3-{5-METHOXY-1-[(4-METHOXYPHENYL)SULFONYL]-1H-INDOL-3-YL}PROPANOIC ACID
3et3[A][a][A][a][A][a]1.95
ET1:3-{5-METHOXY-1-[(4-METHOXYPHENYL)SULFONYL]-1H-INDOL-3-YL}PROPANOIC ACID
3eyb[A4][A4][A4]2.79
3f5c[A2B][A2B][A3]3
3f7d[A][a][A][a][A][a]2.2
CAF:S-DIMETHYLARSINOYL-CYSTEINE
P42:(2S)-2-{[(1R)-1-HYDROXYHEXADECYL]OXY}-3-{[(1R)-1-HYDROXYOCTADECYL]OXY}PROPYL 2-(TRIMETHYLAMMONIO)ETHYLPHOSPHATE
3fal[A2B2][A4][A4]2.36
LO2:2-{4-[BUTYL(3-CHLORO-4,5-DIMETHOXYBENZYL)AMINO]PHENYL}-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OL
REA:RETINOIC ACID
3fc6[A2B2][A4][A4]2.06
LX2:[4-(3-{[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO}PROPOXY)-1H-INDOL-1-YL]ACETIC ACID
REA:RETINOIC ACID
3fei[A][a][A][a][A][a]2.4
CTM:(2S)-3-(4-{[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHOXY}-2-METHYLPHENYL)-2-ETHOXYPROPANOIC ACID
3fej[A][a][A][a][A][a]2.01
CTM:(2S)-3-(4-{[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHOXY}-2-METHYLPHENYL)-2-ETHOXYPROPANOIC ACID
3fli[A][A][A]2
33Y:1-METHYLETHYL 3-[(3,4-DIFLUOROPHENYL)CARBONYL]-1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
3fs1[A][a][A][a][A][a]2.2
MYR:MYRISTIC ACID
3fug[A][a][A][a][A][a]2
2E3:(2E)-3-[4-HYDROXY-3-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]PROP-2-ENOIC ACID
3fur[A][a][A][a][A][a]2.3
CL:CHLORIDE ION
Z12:2,4-DICHLORO-N-[3,5-DICHLORO-4-(QUINOLIN-3-YLOXY)PHENYL]BENZENESULFONAMIDE
3fxv[A][a][A][a][A][a]2.26
643:6-(4-{[3-(3,5-DICHLOROPYRIDIN-4-YL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}-2-METHYLPHENYL)-1-METHYL-1H-INDOLE-3-CARBOX YLIC ACID
3g0w[A][A][A]1.95
LGB:2-CHLORO-4-{[(1R,3Z,7S,7AS)-7-HYDROXY-1-(TRIFLUOROMETHYL)TETRAHYDRO-1H-PYRROLO[1,2-C][1,3]OXAZOL-3-YLIDENE]AMINO}-3-METHYLBENZONITRILE
3g8i[A][a][A][a][A][a]2.2
RO7:(2S)-2-METHOXY-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]-1-BENZOTHIOPHEN-7-YL}PROPANOIC ACID
3g8o[A2][A2][A2]1.9
30X:N~2~-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-N,N-DIMETHYL-N~2~-(2,2,2-TRIFLUOROETHYL)-L-ALANINAMIDE
SO4:SULFATE ION
3g9e[A][a][A][a][A][a]2.3
RO7:(2S)-2-METHOXY-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]-1-BENZOTHIOPHEN-7-YL}PROPANOIC ACID
3gbk[A2][A2][A2]2.3
2PQ:2-[(1-{3-[4-(BIPHENYL-4-YLCARBONYL)-2-PROPYLPHENOXY]PROPYL}-1,2,3,4-TETRAHYDROQUINOLIN-5-YL)OXY]-2-METHYLPROPANOIC ACID
3gd2[A][a][A][a][A][a]3.2
708:3-[(E)-2-(2-CHLORO-4-{[3-{[(R)-(2,6-DICHLOROPHENYL)(HYDROXY)-LAMBDA~4~-SULFANYL]METHYL}-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}PHENYL)ETHENYL]BENZOIC ACID
3gn8[A][a][A][a][A][a]2.5
DEX:DEXAMETHASONE
3gws[A][A][A]2.2
CAS:S-(DIMETHYLARSENIC)CYSTEINE
T3:3,5,3___sq___TRIIODOTHYRONINE
3gwx[A2][A2][A2]2.4
EPA:5,8,11,14,17-EICOSAPENTAENOIC ACID
3gyt[A][a][A][a][A][a]2.4
DL4:(14BETA,17ALPHA,25R)-3-OXOCHOLEST-4-EN-26-OIC ACID
3gyu[A][a][A][a][A][a]2.4
DL7:(5BETA,14BETA,17ALPHA,25R)-3-OXOCHOLEST-7-EN-26-OICACID
MSE:SELENOMETHIONINE
3gz9[A][A][A]2
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
D32:(2,3-DIMETHYL-4-{[2-(PROP-2-YN-1-YLOXY)-4-{[4-(TRIFLUOROMETHYL)PHENOXY]METHYL}PHENYL]SULFANYL}PHENOXY)ACETIC ACID
3h0a[AB][a2][A2][a2][A2][a2]2.1
9RA:4-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHENYL]BENZOIC ACID
D30:[(4-{[2-(PENT-2-YN-1-YLOXY)-4-{[4-(TRIFLUOROMETHYL)PHENOXY]METHYL}PHENYL]SULFANYL}-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)OXY]ACETIC ACID
3h52[A2][a][A2][a][A2][a]2.8
486:11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
GOL:GLYCEROL
3hc5[A][a][A][a][A][a]2.6
82X:3-(6-{[3-(2,6-DICHLOROPHENYL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}-1-BENZOTHIOPHEN-2-YL)BENZOICACID
SO4:SULFATE ION
3hc6[A][a][A][a][A][a]3.2
088:3-[(5-{[3-(2,6-DICHLOROPHENYL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}-1H-INDOL-1-YL)METHYL]BENZOICACID
SO4:SULFATE ION
3hlv[A2][a2][A2][a2][A2][a2]3
J2Z:(9BETA,13ALPHA,16BETA)-3,16-DIHYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE
3hm1[A2][a2][A2][a2][A2][a2]2.33
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
J3Z:(9BETA,13ALPHA)-3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE
3ho0[A2][A2][A2]2.6
DKD:(2S)-2-(4-PHENETHYLPHENOXY)-3-PHENYL-PROPANOIC ACID
3hod[A2][A2][A2]2.1
ZZH:(2S)-2-(4-BENZYLPHENOXY)-3-PHENYLPROPANOIC ACID
3hq5[A2][A2][A2]2.1
GKK:2-CHLORO-4-{[(3S)-1-METHYLPYRROLIDIN-3-YL][2-(TRIFLUOROMETHYL)BENZYL]AMINO}BENZONITRILE
GOL:GLYCEROL
SO4:SULFATE ION
3hvl[A][A][A]2.1
SRL:[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
3hzf[A][A][A]2.5
B72:{4-[4-HYDROXY-3-(1-METHYLETHYL)BENZYL]-3,5-DIMETHYLPHENOXY}ACETIC ACID
CAS:S-(DIMETHYLARSENIC)CYSTEINE
3ia6[A2][A2][A2]2.31
UNT:(2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(2H-1,2,3-TRIAZOL-2-YL)PROPANOIC ACID
3ilz[A][A][A]1.85
B72:{4-[4-HYDROXY-3-(1-METHYLETHYL)BENZYL]-3,5-DIMETHYLPHENOXY}ACETIC ACID
CAS:S-(DIMETHYLARSENIC)CYSTEINE
3imy[A][A][A]2.55
B72:{4-[4-HYDROXY-3-(1-METHYLETHYL)BENZYL]-3,5-DIMETHYLPHENOXY}ACETIC ACID
CAS:S-(DIMETHYLARSENIC)CYSTEINE
3ipq[A2][a2][A2][a2][A2][a2]2
965:[3-(3-{[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO}PROPOXY)PHENYL]ACETIC ACID
SO4:SULFATE ION
3ips[A2][a2][A2][a2][A2][a2]2.26
O90:{3-CHLORO-4-[(3-{[7-PROPYL-3-(TRIFLUOROMETHYL)-1,2-BENZISOXAZOL-6-YL]OXY}PROPYL)SULFANYL]PHENYL}ACETICACID
SO4:SULFATE ION
3ipu[A2][a2][A2][a2][A2][a2]2.4
O40:4-{[METHYL(3-{[7-PROPYL-3-(TRIFLUOROMETHYL)-1,2-BENZISOXAZOL-6-YL]OXY}PROPYL)CARBAMOYL]AMINO}BENZOICACID
SO4:SULFATE ION
3ixp[A2B2][A4][A4]2.85
834:N-[2-(2-CHLOROPHENYL)-4-METHYL-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXAMIDE
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
3jzb[A][A][A]2.01
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
CAS:S-(DIMETHYLARSENIC)CYSTEINE
3jzc[A][A][A]2.5
4HY:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETICACID
CAS:S-(DIMETHYLARSENIC)CYSTEINE
3k22[A][a][A][a][A][a]2.1
JZR:HEXYL BETA-D-GLUCOPYRANOSIDE
JZS:N-[(1R)-2-AMINO-1-METHYL-2-OXOETHYL]-3-(6-METHYL-4-{[3,3,3-TRIFLUORO-2-HYDROXY-2-(TRIFLUOROMETHYL)PROPYL]AMINO}-1H-INDAZOL-1-YL)BENZAMIDE
3k23[A][a][A][a][A][a]3
JZN:1-{[3-(4-{[(2R)-4-(5-FLUORO-2-METHOXYPHENYL)-2-HYDROXY-4-METHYL-2-(TRIFLUOROMETHYL)PENTYL]AMINO}-6-METHYL-1H-INDAZOL-1-YL)PHENYL]CARBONYL}-D-PROLINAMIDE
3k6p[A][A][A]2
5FB:4-(4-{[(5R)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YL]METHYL}-2-METHOXYPHENOXY)-3-(TRIFLUOROMETHYL)BENZONITRILE
3k8s[A2][A2][A2]2.55
Z27:2-CHLORO-N-{3-CHLORO-4-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)SULFANYL]PHENYL}-4-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
3kba[A][A][A]2
SO4:SULFATE ION
WOW:2-CHLORO-4-{(2-METHYLBENZYL)[(3S)-1-(METHYLSULFONYL)PYRROLIDIN-3-YL]AMINO}BENZONITRILE
3kdt[A2][A2][A2]2.7
7HA:N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-(METHOXYCARBONYL)GLYCINE
3kdu[A2][A2][A2]2.07
NKS:N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-[(4-METHYLPHENOXY)CARBONYL]GLYCINE
3kfc[A2][A2][A2]2.4
61X:4-{3-[3-(METHYLSULFONYL)PHENOXY]PHENYL}-8-(TRIFLUOROMETHYL)QUINOLINE
3kmg[A][a][A][a][A][a]2.1
538:4___sq___-[(2,3-DIMETHYL-5-{[(1S)-1-PHENYLPROPYL]CARBAMOYL}-1H-INDOL-1-YL)METHYL]BIPHENYL-2-CARBOXYLIC ACID
3kmr[A][a][A][a][A][a]1.8
EQN:4-{[(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CARBONYL]AMINO}BENZOIC ACID
3kmz[A2][a2][A2][a2][A2][a2]2.1
CSO:S-HYDROXYCYSTEINE
EQO:4-{(E)-2-[5,5-DIMETHYL-8-(PHENYLETHYNYL)-5,6-DIHYDRONAPHTHALEN-2-YL]ETHENYL}BENZOIC ACID
GOL:GLYCEROL
3kpz[A][A][A]1.9
ZNE:(1R,3S,5Z)-5-[(2E)-2-{(1R,3AS,7AR)-1-[(1R,5S)-5-HYDROXY-1-METHYL-5-(1,3-THIAZOL-2-YL)PENTYL]-7A-METHYLOCTAHYDRO-4H-INDEN-4-YLIDENE}ETHYLIDENE]-4-METHYLIDENECYCLOHEXANE-1,3-DIOL
3kwy[A2][a2][A2][a2][A2][a2]2.3
ACT:ACETATE ION
T9T:TRIPHENYLSTANNANYL
3kyt[A][a][A][a][A][a]2.35
HC2:20-HYDROXYCHOLESTEROL
3l03[A2][a2][A2][a2][A2][a2]1.9
4OH:(14BETA,15ALPHA,16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,15,16,17-TETROL
CL:CHLORIDE ION
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
GOL:GLYCEROL
3l0e[A][a][A][a][A][a]2.3
G58:N-(2-CHLORO-6-FLUOROBENZYL)-1-METHYL-N-{[3___sq___-(METHYLSULFONYL)BIPHENYL-4-YL]METHYL}-1H-IMIDAZOLE-4-SULFONAMIDE
3l0j[A][a][A][a][A][a]2.4
HC9:(3ALPHA,8ALPHA,22R)-CHOLEST-5-ENE-3,22-DIOL
3l0l[A][a][A][a][A][a]1.74
HC3:25-HYDROXYCHOLESTEROL
3l1b[A][A][A]1.9
635:1-METHYLETHYL 8-FLUORO-1,1-DIMETHYL-3-{[4-(3-MORPHOLIN-4-YLPROPOXY)PHENYL]CARBONYL}-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
3l3x[A][a][A][a][A][a]1.55
DHT:5-ALPHA-DIHYDROTESTOSTERONE
3l3z[A][a][A][a][A][a]2
DHT:5-ALPHA-DIHYDROTESTOSTERONE
3lbd[A][A][A]2.4
9CR:(9CIS)-RETINOIC ACID
3lmp[A][a][A][a][A][a]1.9
CEK:(9AS)-8-ACETYL-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-N-(1-NAPHTHYLMETHYL)-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE
3m7r[A][A][A]1.8
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
3mne[A][a][A][a][A][a]1.96
DEX:DEXAMETHASONE
GOL:GLYCEROL
3mno[A][a][A][a][A][a]1.55
DEX:DEXAMETHASONE
GOL:GLYCEROL
SCN:THIOCYANATE ION
3mnp[A][a][A][a][A][a]1.5
DEX:DEXAMETHASONE
GOL:GLYCEROL
SCN:THIOCYANATE ION
3n00[A2][a2][A2][a2][A2][a2]2.6
3noa[A2][A2][A2]1.98
5BC:(5-{3-[4-(BIPHENYL-4-YLCARBONYL)-2-PROPYLPHENOXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID
3nsp[A4][A4][A4]2.9
3nsq[A4][A4][A4]2.6
CHZ:1,8-DIHYDROXYANTHRACENE-9,10-DIONE
3o1d[A2][a2][A2][a2][A2][a2]2.4
G72:(1R,3R,7E,17BETA)-17-[(1S)-6,6,6-TRIFLUORO-5-HYDROXY-1-(4-HYDROXY-4-METHYLPENTYL)-5-(TRIFLUOROMETHYL)HEX-3-YN-1-YL]-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3o1e[A2][a2][A2][a2][A2][a2]2.5
H97:(1R,3R,7E,17BETA)-17-[(1R)-6,6,6-TRIFLUORO-5-HYDROXY-1-(4-HYDROXY-4-METHYLPENTYL)-5-(TRIFLUOROMETHYL)HEX-3-YN-1-YL]-9,1 0-SECOESTRA-5,7-DIENE-1,3-DIOL
3oap[A2][a2][A2][a2][A2][a2]2.05
9CR:(9CIS)-RETINOIC ACID
3ogt[A][A][A]1.75
FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL
SO4:SULFATE ION
3okh[A][a][A][a][A][a]2.5
OKH:2-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOHEXYL-2-(CYCLOHEXYLAMINO)-2-OXOETHYL]-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID
3oki[A][a][A][a][A][a]2
OKI:(2S)-2-[2-(4-CHLOROPHENYL)-1H-BENZIMIDAZOL-1-YL]-N,2-DICYCLOHEXYLETHANAMIDE
3olf[A][a][A][a][A][a]1.9
OLF:4-({(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYLACETYL}AMINO)-3-METHYLBENZOIC ACID
3oll[A][a][A][a][A][a]1.5
EST:ESTRADIOL
PTR:O-PHOSPHOTYROSINE
3ols[A][a][A][a][A][a]2.2
EST:ESTRADIOL
3omk[A][a][A][a][A][a]1.9
OMK:(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYL-N-(2-METHYLPHENYL)ETHANAMIDE
3omm[A][a][A][a][A][a]2.1
OMM:4-({(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYLACETYL}AMINO)-3-FLUOROBENZOIC ACID
3omo[A][a][A][a][A][a]2.21
WV7:2-(TRIFLUOROACETYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL
3omp[A][a][A][a][A][a]2.05
W14:2-(TRIFLUOROACETYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-OL
3omq[A][a][A][a][A][a]1.97
W23:2-[(TRIFLUOROMETHYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL
3oof[A][a][A][a][A][a]2.29
OOF:4-({(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYLACETYL}AMINO)BENZOICACID
3ook[A][a][A][a][A][a]2.29
OOK:4-({(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYLACETYL}AMINO)-3,5-DIFLUOROBENZOIC ACID
3os8[AB][A2][A2]2.03
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
KN0:4-[1-BENZYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL
3os9[A2][A2][A2]2.3
KN1:4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL
3osa[A2][A2][A2]2.3
KN3:4-[1-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL
3osi[A][A][A]2.7
PGO:S-1,2-PROPANEDIOL
XDH:4,4___sq___-PROPANE-2,2-DIYLBIS(2,6-DICHLOROPHENOL)
3osw[A][A][A]2.55
PGO:S-1,2-PROPANEDIOL
XDI:4,4___sq___-PROPANE-2,2-DIYLBIS(2,6-DIBROMOPHENOL)
3oz0[A][A][A]3
3OZ:[4-({(1S)-1-[(2,4-DICHLOROPHENYL)CARBAMOYL]-1,3-DIHYDRO-2H-ISOINDOL-2-YL}METHYL)-2-METHYLPHENOXY]ACETIC ACID
3ozj[A2][a2][A2][a2][A2][a2]2.1
BGV:(3AR,4S,4AR,7AR,8R,9AS)-4A,8-DIMETHYL-3-METHYLIDENE-2,5-DIOXO-2,3,3A,4,4A,5,7A,8,9,9A-DECAHYDROAZULENO[6,5-B]FURAN-4-YL ACETATE
3p0u[A2][A2][A2]3
3p88[A][a][A][a][A][a]2.95
P88:7-(4-{[3-(2,6-DIMETHYLPHENYL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}PHENYL)ISOQUINOLINE-3-CARBOXYLICACID
SO4:SULFATE ION
3p89[A][a][A][a][A][a]2.3
89P:6-(4-{[3-(2,6-DICHLOROPHENYL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}PHENYL)QUINOLINE-2-CARBOXYLICACID
SO4:SULFATE ION
3p8x[A][A][A]1.7
SO4:SULFATE ION
ZYD:(1R,3S,5Z)-5-{(2E)-2-[(3AR,7AS)-7A-(7-HYDROXY-7-METHYLOCTYL)OCTAHYDRO-4H-INDEN-4-YLIDENE]ETHYLIDENE}-4-METHYLIDENECYCLOHEXANE-1,3-DIOL
3pba[A][A][A]2.3
PGO:S-1,2-PROPANEDIOL
ZXG:2,6-DIBROMO-4-[2-(3,5-DIBROMO-4-HYDROXYPHENYL)PROPAN-2-YL]PHENYL HYDROGEN SULFATE
3pcu[A2][a2][A2][a2][A2][a2]2
LX8:2-[(2S)-6-(2-METHYLBUT-3-EN-2-YL)-7-OXO-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-2-YL]PROPAN-2-YL ACETATE
3peq[A][A][A]2.4
3EQ:[(4-{BUTYL[2-METHYL-4___sq___-(METHYLSULFANYL)BIPHENYL-3-YL]SULFAMOYL}NAPHTHALEN-1-YL)OXY]ACETIC ACID
IOD:IODIDE ION
JZR:HEXYL BETA-D-GLUCOPYRANOSIDE
3plz[A][a][A][a][A][a]1.75
470:(3AS,6AR)-5-[(4E)-OCT-4-EN-4-YL]-N,4-DIPHENYL-2,3,6,6A-TETRAHYDROPENTALEN-3A(1H)-AMINE
EDO:1,2-ETHANEDIOL
3po9[A][A][A]2.35
PGO:S-1,2-PROPANEDIOL
XPT:1-[CHLORO(DIPROPYL)-LAMBDA~4~-SULFANYL]PROPANE
3prg[A][A][A]2.9
3q95[A][a][A][a][A][a]2.05
CL:CHLORIDE ION
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
ESL:ESTRIOL
3qt0[A][a][A][a][A][a]2.5
486:11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
3r29[A4][a4][A4][a4][A4][a4]2.9
3r2a[A4][a2][A4][a2][A4][a2]3
RHN:4,5-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLIC ACID
3r5m[A2][a2][A2][a2][A2][a2]2.8
MLO:5,5___sq___-DI(PROP-2-EN-1-YL)BIPHENYL-2,2___sq___-DIOL
3r5n[A][A][A]2
MLO:5,5___sq___-DI(PROP-2-EN-1-YL)BIPHENYL-2,2___sq___-DIOL
3r8a[A][A][A]2.41
HIG:2-ETHYL-5,7-DIMETHYL-3-{(1S)-5-[2-(1H-TETRAZOL-5-YL)PHENYL]-2,3-DIHYDRO-1H-INDEN-1-YL}-3H-IMIDAZO[4,5-B]PYRIDINE
3r8d[A][A][A]2.8
PNU:6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE
3r8i[A2][A2][A2]2.3
XCX:2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLPROPANOIC ACID
3rlj[A][A][A]1.9
RLJ:(2S)-3-(4-CYANOPHENOXY)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-2-HYDROXY-2-METHYLPROPANAMIDE
3rll[A][A][A]1.7
RLL:(2S)-3-[(4-CYANONAPHTHALEN-1-YL)OXY]-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-2-HYDROXY-2-METHYLPROPANAMIDE
3rut[A][a][A][a][A][a]3
59G:6-(4-{[3-(2,6-DICHLOROPHENYL)-5-(PROPAN-2-YL)-1,2-OXAZOL-4-YL]METHOXY}PHENYL)-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
SO4:SULFATE ION
3ruu[A][a][A][a][A][a]2.5
37G:6-(4-{[3-(2,6-DICHLOROPHENYL)-5-(PROPAN-2-YL)-1,2-OXAZOL-4-YL]METHOXY}PHENYL)-1H-INDOLE-3-CARBOXYLICACID
SO4:SULFATE ION
3rvf[A][a][A][a][A][a]3.1
034:5-(4-{[3-(2,6-DICHLOROPHENYL)-5-(PROPAN-2-YL)-1,2-OXAZOL-4-YL]METHOXY}PHENYL)-1H-INDOLE-2-CARBOXYLICACID
SO4:SULFATE ION
3ry9[A][A][A]1.95
1CA:DESOXYCORTICOSTERONE
GOL:GLYCEROL
NA:SODIUM ION
3s9s[A][a][A][a][A][a]2.55
M0T:1-(3,4-DICHLOROBENZYL)-2-METHYL-N-[(1R)-1-PHENYLPROPYL]-1H-BENZIMIDAZOLE-5-CARBOXAMIDE
3sp6[A][a][A][a][A][a]2.21
IL2:(5E)-5-[(3AS,4R,5R,6AS)-5-HYDROXY-4-[(1E,3S,4R)-3-HYDROXY-4-METHYLOCT-1-EN-6-YN-1-YL]HEXAHYDROPENTALEN-2(1H)-YLIDENE]PENTANOIC ACID
3sp9[A][A][A]2.3
IL2:(5E)-5-[(3AS,4R,5R,6AS)-5-HYDROXY-4-[(1E,3S,4R)-3-HYDROXY-4-METHYLOCT-1-EN-6-YN-1-YL]HEXAHYDROPENTALEN-2(1H)-YLIDENE]PENTANOIC ACID
3sz1[A][A][A]2.3
KNA:NONANOIC ACID
LU2:2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-CHROMEN-4-ONE
MYR:MYRISTIC ACID
3t03[A][a][A][a][A][a]2.1
3T0:(5Z)-5-(5-BROMO-2-METHOXYBENZYLIDENE)-3-(4-METHYLBENZYL)-1,3-THIAZOLIDINE-2,4-DIONE
3tkc[A][A][A]1.75
FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL
SO4:SULFATE ION
3tkm[A][A][A]1.95
GOL:GLYCEROL
GW0:{4-[({2-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-THIAZOL-5-YL}METHYL)SULFANYL]-2-METHYLPHENOXY}ACETIC ACID
3tx7[AB][AB][AB]2.76
P6L:(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL(8E)-OCTADEC-8-ENOATE
3ty0[A2][A2][A2]2
082:(5R)-5-(3-{[3-(6-METHOXY-1,2-BENZOXAZOL-3-YL)-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL]METHYL}PHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE
3u9q[A][a][A][a][A][a]1.52
DKA:DECANOIC ACID
3up0[A][a][A][a][A][a]1.6
D7S:(5BETA,14BETA,17ALPHA,25S)-3-OXOCHOLEST-7-EN-26-OICACID
3up3[A][a][A][a][A][a]1.25
EDO:1,2-ETHANEDIOL
XCA:(8ALPHA,10ALPHA,25S)-3-HYDROXYCHOLESTA-3,5-DIEN-26-OICACID
3uu7[AB][a2][AB][a2][A2][a2]2.2
2OH:4,4___sq___-PROPANE-2,2-DIYLDIPHENOL
CSO:S-HYDROXYCYSTEINE
3uua[AB][a2][AB][a2][A2][a2]2.05
0CZ:4,4___sq___-(1,1,1,3,3,3-HEXAFLUOROPROPANE-2,2-DIYL)DIPHENOL
CSO:S-HYDROXYCYSTEINE
3uuc[A2][A2][A2]2.1
0D1:4,4___sq___-(2,2-DICHLOROETHENE-1,1-DIYL)DIPHENOL
CSO:S-HYDROXYCYSTEINE
3uud[AB][a2][AB][a2][A2][a2]1.6
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
EST:ESTRADIOL
GOL:GLYCEROL
3uvv[AB][AB][A2]2.95
9CR:(9CIS)-RETINOIC ACID
T3:3,5,3___sq___TRIIODOTHYRONINE
3v3e[A2][A2][A2]2.06
GOL:GLYCEROL
3v3q[A2][A2][A2]2.22
GOL:GLYCEROL
NA:SODIUM ION
TMY:ETHYL (2,3,4-TRIMETHOXY-6-OCTANOYLPHENYL)ACETATE
3v49[A][a][A][a][A][a]1.7
PK0:4-[(4R)-4-(4-HYDROXYPHENYL)-3,4-DIMETHYL-2,5-DIOXOIMIDAZOLIDIN-1-YL]-2-(TRIFLUOROMETHYL)BENZONITRILE
SO4:SULFATE ION
3v4a[A][a][A][a][A][a]1.95
PK1:(5R)-3-(3,4-DICHLOROPHENYL)-5-(4-HYDROXYPHENYL)-1,5-DIMETHYL-2-THIOXOIMIDAZOLIDIN-4-ONE
SO4:SULFATE ION
3v9t[A][a][A][a][A][a]1.65
17L:(9AS)-8-ACETYL-N-[(3-ETHOXYNAPHTHALEN-1-YL)METHYL]-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE
3v9v[A][a][A][a][A][a]1.6
21L:METHYL 3-{4-[({[(9AS)-8-ACETYL-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-YL]CARBONYL}AMINO)METHYL]NAPHTHALEN-2-YL}PROPANOATE
3v9y[A][a][A][a][A][a]2.1
24L:4-{4-[({[(9AS)-8-ACETYL-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-YL]CARBONYL}AMINO)METHYL]NAPHTHALEN-2-YL}BUTANOIC ACID
3vhu[A][A][A]2.11
SNL:SPIRONOLACTONE
3vhv[A][A][A]1.35
EDO:1,2-ETHANEDIOL
K:POTASSIUM ION
LD1:6-[(7S)-7-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-6-YL]-2H-1,4-BENZOXAZIN-3(4H)-ONE
LD2:6-[(1E)-2-PHENYL-N-(3-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)ETHANIMIDOYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE
3vhw[A][A][A]2.43
VHW:METHYL (1S,3E)-3-{(2R)-2-[(1R,3AS,4E,7AR)-4-{(2Z)-2-[(3R,4S,5R)-3,5-DIHYDROXY-4-(3-HYDROXYPROPOXY)-2-METHYLIDENECYCLOHEXYLIDENE]ETHYLIDENE}-7A-METHYLOCTAHYDRO-1H-INDEN-1-YL]PROPYLIDENE}-1-ETHYL-2-OXOCYCLOPENTANECARBOXYLATE (NON-PREFERRED NAME)
3vi8[A][A][A]1.75
13M:(2S)-2-(4-METHOXY-3-{[(PYREN-1-YLCARBONYL)AMINO]METHYL}BENZYL)BUTANOIC ACID
3vjh[A2][A2][A2]2.22
J35:(2S)-2-[4-METHOXY-3-({[4-(TRIFLUOROMETHYL)BENZOYL]AMINO}METHYL)BENZYL]PENTANOIC ACID
3vji[A2][A2][A2]2.61
J53:(2S)-2-{4-BUTOXY-3-[({4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]BENZOYL}AMINO)METHYL]BENZYL}BUTANOIC ACID
3vjs[A][a][A][a][A][a]1.93
10S:1-(2-[(S)-2,4-DIHYDROXYBUTOXY]ETHYL)-12-(5-ETHYL-5-HYDROXYHEPTYL)-1,12-DICARBA-CLOSO-DODECABORANE
3vjt[A][a][A][a][A][a]2
10R:1-(2-[(R)-2,4-DIHYDROXYBUTOXY]ETHYL)-12-(5-ETHYL-5-HYDROXYHEPTYL)-1,12-DICARBA-CLOSO-DODECABORANE
3vn2[A][a][A][a][A][a]2.18
TLS:4___sq___-[(1,7___sq___-DIMETHYL-2___sq___-PROPYL-1H,3___sq___H-2,5___sq___-BIBENZIMIDAZOL-3___sq___-YL)METHYL]BIPHENYL-2-CARBOXYLIC ACID
3vrt[A][a][A][a][A][a]2.4
YS2:(1R,3R,7E,17BETA)-17-[(2R)-5-HYDROXYPENTAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3vru[A][a][A][a][A][a]2
YS3:(1R,3R,7E,17BETA)-17-[(2R)-5-HYDROXY-5-METHYLHEXAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3vrv[A][a][A][a][A][a]1.9
YSD:(1R,3R,7E,17BETA)-17-[(2R)-5-ETHYL-5-HYDROXYHEPTAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3vrw[A][a][A][a][A][a]2.4
YS5:(1R,3R,7E,17BETA)-17-[(2R,3S)-3-BUTYL-5-ETHYL-5-HYDROXYHEPTAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3vso[A2][A2][A2]2
EK1:(2R)-2-BENZYL-3-[4-PROPOXY-3-({[4-(PYRIMIDIN-2-YL)BENZOYL]AMINO}METHYL)PHENYL]PROPANOIC ACID
3vsp[A2][A2][A2]2.4
EK8:(2R)-2-BENZYL-3-[3-({[4-(PIPERIDIN-1-YL)BENZOYL]AMINO}METHYL)-4-PROPOXYPHENYL]PROPANOIC ACID
3vt3[A][a][A][a][A][a]1.7
EDO:1,2-ETHANEDIOL
FMT:FORMIC ACID
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
3vt4[A][a][A][a][A][a]1.9
5YI:(1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ETHYL-2-HYDROXYBUTYL)SULFANYL]ETHYL}-2-(2-HYDROXYETHYLIDENE)-9,10-SECOESTRA-5,7,16-TRIENE-1,3-DIOL
3vt5[A][a][A][a][A][a]2.11
YI2:(1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ETHYL-2-HYDROXYBUTYL)SULFANYL]ETHYL}-2-(2-HYDROXYETHYLIDENE)-9,10-SECOESTRA-5,7,16-TRIENE-1,3-DIOL
3vt6[A][a][A][a][A][a]2.3
5YI:(1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ETHYL-2-HYDROXYBUTYL)SULFANYL]ETHYL}-2-(2-HYDROXYETHYLIDENE)-9,10-SECOESTRA-5,7,16-TRIENE-1,3-DIOL
3vt7[A][a][A][a][A][a]1.65
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
3vt8[A][a][A][a][A][a]2.1
YI3:(1R,3R,7E,9BETA,17BETA)-9-BUTYL-17-[(2R)-6-HYDROXY-6-METHYLHEPTAN-2-YL]-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3vt9[A][a][A][a][A][a]2.35
YI4:(1R,2Z,3R,5E,7E,9BETA,17BETA)-2-(2-HYDROXYETHYLIDENE)-17-[(2R)-6-HYDROXY-6-METHYLHEPTAN-2-YL]-9-(PROP-2-EN-1-YL)-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3vtb[A][a][A][a][A][a]2
TKA:(1R,3R,7E,17BETA)-17-{(2R,6S)-6-HYDROXY-6-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]HEX-4-YN-2-YL}-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3vtc[A][a][A][a][A][a]1.5
EDO:1,2-ETHANEDIOL
TK3:(1R,3R,7E,17BETA)-17-{(2R,6R)-6-HYDROXY-7-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]HEPT-4-YN-2-YL}-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3vtd[A][a][A][a][A][a]2.7
TKD:(1R,3R,7E,17BETA)-17-{(2R,6S)-6-HYDROXY-7-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]HEPT-4-YN-2-YL}-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3w0a[A][A][A]1.8
DS5:(4S)-4-HYDROXY-5-[2-METHYL-4-(3-{3-METHYL-4-[4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUT-1-YN-1-YL]PHENYL}PENTAN-3-YL)PHENOXY]PENTANOIC ACID
3w0c[A][A][A]1.9
6DS:(4S)-4-HYDROXY-5-[2-METHYL-4-(3-{3-METHYL-4-[(1E)-4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUT-1-EN-1-YL]PHENYL}PENTAN-3-YL)PHENOXY]PENTANOIC ACID
3w0g[A][a][A][a][A][a]1.94
W07:(2S)-3-{4-[2-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}PHENYL)PROPAN-2-YL]PHENOXY}PROPANE-1,2-DIOL
3w0h[A][a][A][a][A][a]1.8
W12:(2S)-3-{4-[4-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}PHENYL)HEPTAN-4-YL]PHENOXY}PROPANE-1,2-DIOL
3w0i[A][a][A][a][A][a]1.9
O11:(2S)-3-{4-[3-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}PHENYL)PENTAN-3-YL]PHENOXY}PROPANE-1,2-DIOL
3w0j[A][a][A][a][A][a]1.84
T08:(2S)-3-{4-[2-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PROPAN-2-YL]-2-METHYLPHENOXY}PROPANE-1,2-DIOL
3w0y[A][A][A]1.98
DS4:[3-FLUORO-2___sq___-METHYL-4___sq___-(3-{3-METHYL-4-[(1E)-4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUT-1-EN-1-YL]PHENYL}PENTAN-3-YL)BIPHENYL-4-YL]ACETIC ACID
3w5p[A][a][A][a][A][a]1.9
4OA:(3BETA,5BETA,14BETA,17ALPHA)-3-HYDROXYCHOLAN-24-OICACID
3w5q[A][a][A][a][A][a]1.9
3KL:(5BETA,9BETA)-3-OXOCHOLAN-24-OIC ACID
3w5r[A][a][A][a][A][a]2.2
LOA:(3BETA,5BETA,9BETA)-3-(ACETYLOXY)CHOLAN-24-OIC ACID
3w5t[A][a][A][a][A][a]2.29
LHP:(3BETA,5BETA,9BETA)-3-(PROPANOYLOXY)CHOLAN-24-OIC ACID
3wff[A][A][A]2.05
PO4:PHOSPHATE ION
WFF:6-[4-(2,4-DIFLUOROPHENYL)-5-OXO-2,5-DIHYDROFURAN-3-YL]-2H-1,4-BENZOXAZIN-3(4H)-ONE
3wfg[A][A][A]1.4
EDO:1,2-ETHANEDIOL
WFG:6-[(2S)-4-(4-FLUOROPHENYL)-2-METHYL-5-OXO-2,5-DIHYDROFURAN-3-YL]-2H-1,4-BENZOXAZIN-3(4H)-ONE
3wgp[A][A][A]2
ED9:(1R,2R,3R,5Z,7E,14BETA,17ALPHA)-2-(3-HYDROXYPROPOXY)-9,10-SECOCHOLESTA-5,7,10-TRIENE-1,3,25-TRIOL
3wj4[A2][A2][A2]1.95
TBY:TRIBUTYLSTANNANYL
3wj5[A2][A2][A2]1.89
T9T:TRIPHENYLSTANNANYL
3wmh[A2][A2][A2]2.1
JJA:N-(PHENYLSULFONYL)-4-PROPOXY-3-({[4-(PYRIMIDIN-2-YL)BENZOYL]AMINO}METHYL)BENZAMIDE
3wt5[A][a][A][a][A][a]1.9
YA1:(1R,3R,7E,17BETA)-17-[(2R,3R)-3-BUTYL-6-HYDROXY-6-METHYLHEPTAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3wt6[A][a][A][a][A][a]2
YA1:(1R,3R,7E,17BETA)-17-[(2R,3R)-3-BUTYL-6-HYDROXY-6-METHYLHEPTAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3wt7[A][a][A][a][A][a]2.4
YA2:(1R,3R,7E,17BETA)-17-[(2R,3R)-3-BUTYL-5-ETHYL-5-HYDROXYHEPTAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3wtq[A][a][A][a][A][a]2.1
YS9:(1R,3R,7E,17BETA)-17-[(2R,3S)-3-BUTYL-6-HYDROXY-6-METHYLHEPTAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3wwr[A][A][A]3.18
3AJ:1-({[(1R,2S,3R,5Z,7E,14BETA,17ALPHA)-1,3,25-TRIHYDROXY-9,10-SECOCHOLESTA-5,7,10-TRIEN-2-YL]OXY}METHYL)CYCLOPROPANECARBONITRILE
3x1h[A][A][A]2.3
5OX:(7E,11Z,14Z,17Z,20Z)-5-OXOTRICOSA-7,11,14,17,20-PENTAENOIC ACID
3x1i[A][A][A]2.4
66B:(8E,12Z,15Z,18Z,21Z)-6-OXOTETRACOSA-8,12,15,18,21-PENTAENOIC ACID
3x31[A][A][A]2.11
41V:(1R,3R,7Z,14BETA,17ALPHA)-17-[(2R)-6-HYDROXY-6-METHYLHEPTAN-2-YL]-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
3x36[A][A][A]1.93
41W:(1R,3R)-5-[(2Z)-2-[(1R,3AS,7AR)-7A-METHYL-1-[(2R)-6-METHYL-6-OXIDANYL-HEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]CYCLOHEXANE-1,3-DIOL
3zqt[A][A][A]2.29
30Z:4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL
SO4:SULFATE ION
TES:TESTOSTERONE
3zr7[A][A][A]1.65
GOL:GLYCEROL
OR8:2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE
SO4:SULFATE ION
3zra[A][A][A]1.9
ORB:N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE
SO4:SULFATE ION
3zrb[A][A][A]1.8
GOL:GLYCEROL
OR8:2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE
ORC:(R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE
SO4:SULFATE ION
4a2j[A][A][A]2
AS0:4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME
SO4:SULFATE ION
4a4v[A][A][A]2
YFD:AMORFRUTIN 2
4a4w[A][A][A]2
YFB:AMORFRUTIN B
4apu[A][A][A]1.9
A2K:(8S,11R,13S,14S,16S,17S)-17-CYCLOPROPYLCARBONYL-16-ETHENYL-13-METHYL-11-(4-PYRIDIN-3-YLPHENYL)-2,6,7,8,11,12,14,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-ONE
OR8:2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE
SO4:SULFATE ION
4b7w[A8][A8][A8]4
4bcr[A][A][A]2.5
EDO:1,2-ETHANEDIOL
WY1:2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID
4ci4[A][A][A]2.3
Y1N:2-METHYL-2-[4-[2-[4-[(E)-PHENYLDIAZENYL]PHENOXY]ETHYL]PHENOXY]PROPANOIC ACID
4ci5[A][A][A]1.77
Y1N:2-METHYL-2-[4-[2-[4-[(E)-PHENYLDIAZENYL]PHENOXY]ETHYL]PHENOXY]PROPANOIC ACID
4csj[A][a][A][a][A][a]2.3
EDO:1,2-ETHANEDIOL
NN7:N-[(2S)-1-[[1-(4-FLUOROPHENYL)INDAZOL-4-YL]AMINO]PROPAN-2-YL]-2,4,6-TRIMETHYL-BENZENESULFONAMIDE
4dk7[A2][a2][A2][a2][A2][a2]2.45
0KS:N-[4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)PHENYL]-N-METHYLBENZENESULFONAMIDE
ACT:ACETATE ION
CA:CALCIUM ION
MSE:SELENOMETHIONINE
4dk8[A2][a2][A2][a2][A2][a2]2.75
0KT:N-METHYL-N-(4-{(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-[1-(2-METHOXYETHYL)-1H-PYRROL-2-YL]ETHYL}PHENYL)BENZENESULFONAMIDE
ACT:ACETATE ION
CA:CALCIUM ION
4dm6[A][a][A][a][A][a]1.9
TTB:4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID
4dm8[A][a][A][a][A][a]2.3
REA:RETINOIC ACID
4dma[A2][a2][A2][a2][A2][a2]2.3
0L8:2___sq___-BROMO-6___sq___-(FURAN-3-YL)-4___sq___-(HYDROXYMETHYL)BIPHENYL-4-OL
4dor[A2][a2][A2][a2][A2][a2]1.9
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
4dos[A][a2][A][a2][A][a2]2
1PE:PENTAETHYLENE GLYCOL
PLC:DIUNDECYL PHOSPHATIDYL CHOLINE
4dqm[A][a][A][a][A][a]2.75
LUF:(5S)-4-[(3E,7E)-4,8-DIMETHYL-10-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)DECA-3,7-DIEN-1-YL]-5-HYDROXYFURAN-2(5H)-ONE
4e2j[A][a][A][a][A][a]2.5
FMT:FORMIC ACID
GOL:GLYCEROL
MOF:MOMETASONE FUROATE
4e4k[A2][A2][A2]2.5
RRG:(2S)-3-PHENYL-2-{[2___sq___-(PROPAN-2-YL)BIPHENYL-4-YL]OXY}PROPANOIC ACID
4e4q[A2][A2][A2]2.5
RRH:(2R)-3-PHENYL-2-{[2___sq___-(PROPAN-2-YL)BIPHENYL-4-YL]OXY}PROPANOIC ACID
4em9[A][A][A]2.1
GOL:GLYCEROL
KNA:NONANOIC ACID
TCE:3,3___sq___,3___sq______sq___-PHOSPHANETRIYLTRIPROPANOIC ACID
4ema[A][A][A]2.54
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
4f9m[A][a][A][a][A][a]1.9
FCM:(9AS)-8-ACETYL-N-[(2-ETHYL-4-FLUORONAPHTHALEN-1-YL)METHYL]-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE
4fgy[A][a][A][a][A][a]2.84
0W3:(4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-DIHYDROXY-22-{(2S,2___sq___R,5S,5___sq___S)-5___sq___-[(1R)-1-HYDROXYETHYL]-2,5___sq___-DIMETHYLOCTAHYDRO-2,2___sq___-BIFURAN-5-YL}-4,6,8,12,14,18,20-HEPTAMETHYL-9,11-DIOXODOCOS-16-ENOIC ACID
4fhh[A2][a2][A2][a2][A2][a2]2.33
0U3:N-HYDROXY-2-{4-[3-(4-{[(2S)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PENTAN-3-YL]-2-METHYLPHENOXY}ACETAMIDE
4fhi[A2][a2][A2][a2][A2][a2]2.4
0S4:N-HYDROXY-2-{4-[3-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PENTAN-3-YL]-2-METHYLPHENOXY}ACETAMIDE
4fn9[A2][A2][A2]3
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
GOL:GLYCEROL
MES:2-(N-MORPHOLINO)-ETHANESULFONIC ACID
SO4:SULFATE ION
STR:PROGESTERONE
4fne[A][A][A]2.78
1CA:DESOXYCORTICOSTERONE
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
GOL:GLYCEROL
MES:2-(N-MORPHOLINO)-ETHANESULFONIC ACID
SO4:SULFATE ION
4g1d[A2][a2][A2][a2][A2][a2]2.9
0VK:3-(5___sq___-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}-2___sq___-METHYL-2-PROPYLBIPHENYL-4-YL)PENTAN-3-OL
4g1y[A2][a2][A2][a2][A2][a2]2.85
0VO:(4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
4g1z[A2][a2][A2][a2][A2][a2]2.5
0VP:3-(5___sq___-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}-2___sq___-ETHYL-2-PROPYLBIPHENYL-4-YL)PENTAN-3-OL
4g20[A2][a2][A2][a2][A2][a2]2.9
484:3-(5___sq___-{2-[3,4-BIS(HYDROXYMETHYL)PHENYL]ETHYL}-2___sq___-METHYL-2-PROPYLBIPHENYL-4-YL)PENTAN-3-OL
4g21[A2][a2][A2][a2][A2][a2]2.9
0VP:3-(5___sq___-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}-2___sq___-ETHYL-2-PROPYLBIPHENYL-4-YL)PENTAN-3-OL
4g2h[A2][a2][A2][a2][A2][a2]2.5
0VQ:(3E,5E)-6-(3-{2-[3,4-BIS(HYDROXYMETHYL)PHENYL]ETHYL}PHENYL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)OCTA-3,5-DIEN-2-OL
4g2i[A][A][A]1.8
0VQ:(3E,5E)-6-(3-{2-[3,4-BIS(HYDROXYMETHYL)PHENYL]ETHYL}PHENYL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)OCTA-3,5-DIEN-2-OL
4hee[A][a][A][a][A][a]2.5
14R:5-BENZYL-2-ETHYL-3-{(1S)-5-[2-(1H-TETRAZOL-5-YL)PHENYL]-2,3-DIHYDRO-1H-INDEN-1-YL}-3,5-DIHYDRO-4H-IMIDAZO[4,5-C]PYRIDIN-4-ONE
4hlw[A][A][A]2.5
17W:2-[(2-PHENOXYETHYL)SULFANYL]-1H-BENZIMIDAZOLE
GOL:GLYCEROL
SO4:SULFATE ION
TES:TESTOSTERONE
4ia1[A2][a2][A2][a2][A2][a2]2.44
BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E)
4ia2[A2][a2][A2][a2][A2][a2]2.95
BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E)
4ia3[A2][a2][A2][a2][A2][a2]2.7
BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E)
4ia7[A2][a2][A2][a2][A2][a2]2.7
BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E)
4iqr[A2][a2](AB)[A2][a2](AB)[A2][a2](AB)2.9
MYR:MYRISTIC ACID
ZN:ZINC ION
4is8[A][A][A]2.78
4ite[A][A][A]2.49
TEY:(1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3AS,7AR)-7A-METHYL-1-[(2R)-6-METHYL-6-OXIDANYL-HEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-2-[2-(1,2,3,4-TETRAZOL-2-YL)ETHYL]CYCLOHEXANE-1,3-DIOL
4itf[A][A][A]2.84
TFY:(1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3AS,7AR)-7A-METHYL-1-[(2R)-6-METHYL-6-OXIDANYL-HEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-2-[2-(1,2,3,4-TETRAZOL-1-YL)ETHYL]CYCLOHEXANE-1,3-DIOL
4iu7[A][a][A][a][A][a]2.29
1GM:4-[2-ETHYL-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL
4iui[A2][a2][A2][a2][A2][a2]2.3
1GQ:4-[1-BUTYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL
4iv2[A2][a2][A2][a2][A2][a2]2.14
1GR:4-[1-(2-METHYLPROPYL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL
4iv4[A2][a2][A2][a2][A2][a2]2.3
1GS:4-[2-(2-METHYLPROPYL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL
4ivw[A][a][A][a][A][a]2.06
1GJ:4-[2-BENZYL-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL
4ivy[A2][a2][A2][a2][A2][a2]1.95
1GT:4-[1-(BUT-3-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL
4iw6[A2][a2][A2][a2][A2][a2]1.98
1GU:4-[2-(BUT-3-EN-1-YL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL
4iw8[A2][a2][A2][a2][A2][a2]2.04
KN3:4-[1-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL
4iwc[A2][a2][A2][a2][A2][a2]2.24
1GV:4,4___sq___-THIENE-2,5-DIYLBIS(3-METHYLPHENOL)
4iwf[A2][a2][A2][a2][A2][a2]1.93
15Q:2-CHLORO-3___sq___-FLUORO-3-[(E)-(HYDROXYIMINO)METHYL]BIPHENYL-4,4___sq___-DIOL
4j24[A][a][A][a][A][a]2.1
EST:ESTRADIOL
4j26[A][a][A][a][A][a]2.3
EST:ESTRADIOL
4j5w[A2B2][A2B2][A4]2.8
MG:MAGNESIUM ION
4j5x[A2B2][A2B2][A4]2.8
SRL:[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
4jaz[A2][A2][A2]2.85
STL:RESVERATROL
4jgv[A2][A2][A2]3.01
GOL:GLYCEROL
T94:1-(3,4,5-TRIHYDROXYPHENYL)NONAN-1-ONE
4jl4[A2][A2][A2]2.5
AXY:(2S)-3-(BIPHENYL-4-YL)-2-(BIPHENYL-4-YLOXY)PROPANOICACID
4jyg[A2][a2][A2][a2][A2][a2]2.35
1NY:4-{[(5,5-DIMETHYL-8-PHENYL-5,6-DIHYDRONAPHTHALEN-2-YL)CARBONYL]AMINO}BENZOIC ACID
FLC:CITRATE ANION
PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL
4jyh[A2][a2][A2][a2][A2][a2]2.6
FLC:CITRATE ANION
JYH:4-{[(8-PHENYLNAPHTHALEN-2-YL)CARBONYL]AMINO}BENZOICACID
4jyi[A2][a2][A2][a2][A2][a2]1.9
FLC:CITRATE ANION
JYI:3-CHLORO-4-[(E)-2-(5,5-DIMETHYL-8-PHENYL-5,6-DIHYDRONAPHTHALEN-2-YL)ETHENYL]BENZOIC ACID
4k4j[A2][a2][A2][a2][A2][a2]2
1O8:(2E,4E,6Z,8E)-8-(3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)-3,7-DIMETHYLOCTA-2,4,6-TRIENOIC ACID
4k6i[A2][a2][A2][a2][A2][a2]2.1
9RA:4-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHENYL]BENZOIC ACID
4k7a[A][A][A]2.44
DHT:5-ALPHA-DIHYDROTESTOSTERONE
MXD:6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE
4kzi[A][A][A]2.41
GOL:GLYCEROL
ZJ0:1-(3,5-DIMETHOXYPHENYL)DECAN-1-ONE
4kzj[A][A][A]2.12
GOL:GLYCEROL
4kzm[A][A][A]2.3
GOL:GLYCEROL
4l96[A2][A2][A2]2.38
LRG:(2S)-2-(BIPHENYL-4-YLOXY)-3-PHENYLPROPANOIC ACID
4l98[A2][A2][A2]2.28
LRG:(2S)-2-(BIPHENYL-4-YLOXY)-3-PHENYLPROPANOIC ACID
4lbd[A][A][A]2.5
961:3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
4lnw[A][A][A]1.9
CAS:S-(DIMETHYLARSENIC)CYSTEINE
T3:3,5,3___sq___TRIIODOTHYRONINE
4lnx[A][A][A]2.05
CAS:S-(DIMETHYLARSENIC)CYSTEINE
T3:3,5,3___sq___TRIIODOTHYRONINE
T44:3,5,3___sq___,5___sq___-TETRAIODO-L-THYRONINE
4log[A2][A2][A2]2.7
4lsj[A2][a2][A2][a2][A2][a2]2.35
LSJ:N-{3-[(1Z)-1-(10-METHOXYDIBENZO[B,E]OXEPIN-11(6H)-YLIDENE)PROPYL]PHENYL}METHANESULFONAMIDE
4ltw[A][A][A]2.04
486:11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
GOL:GLYCEROL
SO4:SULFATE ION
STR:PROGESTERONE
4m8e[A2][a2][A2][a2][A2][a2]2.4
29V:(3E,6Z,8E)-3,7-DIMETHYL-8-[(4S)-4-METHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE]OCTA-3,6-DIENOIC ACID
4m8h[A2][a2][A2][a2][A2][a2]2.2
R4M:(2E,6Z,8E)-3,7-DIMETHYL-8-[(4R)-4-METHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE]OCTA-2,6-DIENOIC ACID
4mdd[A2][a2][A2][a2][A2][a2]2.4
29M:N-[2-{[BENZYL(METHYL)AMINO]METHYL}-3-(4-FLUORO-2-METHOXYPHENYL)-5-(PROPAN-2-YL)-1H-INDOL-7-YL]METHANESULFONAMIDE
4mg5[A2][a2][A2][a2][A2][a2]2.05
27E:CHLORDECONE
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4mg6[A2][a2][A2][a2][A2][a2]2.1
27G:BENZYL BUTYL BENZENE-1,2-DICARBOXYLATE
CSO:S-HYDROXYCYSTEINE
GOL:GLYCEROL
4mg7[AB][a2][AB][a2][A2][a2]2.15
27H:FERUTININE
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
4mg8[AB][a2][AB][a2][A2][a2]1.85
27J:ALPHA-ZEARALANOL
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4mg9[AB][a2][AB][a2][A2][a2]2
27K:BUTYL 4-HYDROXYBENZOATE
CSO:S-HYDROXYCYSTEINE
GOL:GLYCEROL
4mga[AB][a2][AB][a2][A2][a2]1.8
27L:4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOL
CSO:S-HYDROXYCYSTEINE
4mgb[AB][a2][AB][a2][A2][a2]1.85
CSO:S-HYDROXYCYSTEINE
GOL:GLYCEROL
XDH:4,4___sq___-PROPANE-2,2-DIYLBIS(2,6-DICHLOROPHENOL)
4mgc[A2][a2][A2][a2][A2][a2]2.15
27M:BIS(2,4-DIHYDROXYPHENYL)METHANONE
CSO:S-HYDROXYCYSTEINE
GOL:GLYCEROL
4mgd[AB][a2][AB][a2][A2][a2]1.9
27N:4,4___sq___-(2,2,2-TRICHLOROETHANE-1,1-DIYL)DIPHENOL
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4n1y[A2][A2][A2]2.61
4n5g[A4][A4][A4]2.11
K09:5-(2-{(1Z)-5-FLUORO-2-METHYL-1-[4-(PROPAN-2-YL)BENZYLIDENE]-1H-INDEN-3-YL}ETHYL)-1H-TETRAZOLE
4n73[A][A][A]1.87
COH:PROTOPORPHYRIN IX CONTAINING CO
4n8r[A4][A4][A4]2.03
K08:5-(2-{(1Z)-2-METHYL-1-[4-(PROPAN-2-YL)BENZYLIDENE]-1H-INDEN-3-YL}ETHYL)-1H-TETRAZOLE
4nb6[A][A][A]2.85
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
4nie[A][a][A][a][A][a]2.01
DMX:3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
NBH:N-(4-{[BENZYL(PROPYL)AMINO]METHYL}PHENYL)-2-[4-(ETHYLSULFONYL)PHENYL]ACETAMIDE
4nqa[AB][a2](AB)[AB][a2](AB)[A2][a2](AB)3.1
965:[3-(3-{[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO}PROPOXY)PHENYL]ACETIC ACID
9CR:(9CIS)-RETINOIC ACID
ZN:ZINC ION
4nuf[A][a][A][a][A][a]2.8
GLC:ALPHA-D-GLUCOPYRANOSE
4ny9[A][A][A]2.8
2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE
GOL:GLYCEROL
4o8f[A2][A2][A2]2.6
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
4oar[A][a][A][a][A][a]2.41
2S0:[(8S,11R,13S,14S,17R)-17-ACETYL-11-[4-(DIMETHYLAMINO)PHENYL]-13-METHYL-3-OXO-1,2,6,7,8,11,12,14,15,16-DECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL] ACETATE
4oc7[A2][a2][A2][a2][A2][a2]2.5
2QO:(2E)-3-[6-HYDROXY-3___sq___-(PROP-2-EN-1-YL)BIPHENYL-3-YL]PROP-2-ENOIC ACID
4oea[A][A][A]2.12
DHT:5-ALPHA-DIHYDROTESTOSTERONE
4oed[A][a][A][a][A][a]2.79
DHT:5-ALPHA-DIHYDROTESTOSTERONE
SO4:SULFATE ION
4oey[A][a][A][a][A][a]1.83
DHT:5-ALPHA-DIHYDROTESTOSTERONE
SO4:SULFATE ION
4oez[A][a][A][a][A][a]1.8
DHT:5-ALPHA-DIHYDROTESTOSTERONE
SO4:SULFATE ION
4ofr[A][a][A][a][A][a]2.26
DHT:5-ALPHA-DIHYDROTESTOSTERONE
4ofu[A][a][A][a][A][a]2.12
DHT:5-ALPHA-DIHYDROTESTOSTERONE
4ogh[A][A][A]2.98
HFT:HYDROXYFLUTAMIDE
SO4:SULFATE ION
4oh5[A][a][A][a][A][a]2
HFT:HYDROXYFLUTAMIDE
SO4:SULFATE ION
4oh6[A][a][A][a][A][a]3.56
HFT:HYDROXYFLUTAMIDE
SO4:SULFATE ION
4oha[A][a][A][a][A][a]1.42
HFT:HYDROXYFLUTAMIDE
SO4:SULFATE ION
4oil[A][a][A][a][A][a]2.51
HFT:HYDROXYFLUTAMIDE
4oiu[A][a][A][a][A][a]3.01
HFT:HYDROXYFLUTAMIDE
4oiv[A2][A2][A2]1.7
XX9:N-BENZYL-N-(3-TERT-BUTYL-4-HYDROXYPHENYL)-2,6-DICHLORO-4-(DIMETHYLAMINO)BENZAMIDE
4oj4[A2][A2][A2]2.3
CA:CALCIUM ION
DIF:2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID
4oj9[A][a][A][a][A][a]3.31
GOL:GLYCEROL
HFT:HYDROXYFLUTAMIDE
SO4:SULFATE ION
4ojb[A][A][A]2
198:R-BICALUTAMIDE
4ok1[A][a][A][a][A][a]2.09
198:R-BICALUTAMIDE
4okb[A][a][A][a][A][a]2.95
198:R-BICALUTAMIDE
SO4:SULFATE ION
4okt[A][a][A][a][A][a]2.5
198:R-BICALUTAMIDE
4okw[A][a][A][a][A][a]2
198:R-BICALUTAMIDE
4okx[A][a][A][a][A][a]2.1
198:R-BICALUTAMIDE
SO4:SULFATE ION
4olm[A][a][A][a][A][a]2.8
198:R-BICALUTAMIDE
4oni[A][a][A][a][A][a]1.8
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
GOL:GLYCEROL
P6L:(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL(8E)-OCTADEC-8-ENOATE
PG4:TETRAETHYLENE GLYCOL
4ozr[AB][AB][A2]2.7
4ozt[AB][A2][A2]2.7
NEQ:N-ETHYLMALEIMIDE
P1A:2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE
4p6w[A][a][A][a][A][a]1.95
MOF:MOMETASONE FUROATE
4p6x[A][a][A][a][A][a]2.5
HCY:(11ALPHA,14BETA)-11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE
4pf3[A][A][A]1.1
EDO:1,2-ETHANEDIOL
HFN:6-[1-(2,2-DIFLUORO-3-HYDROXYPROPYL)-5-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOL-4-YL]-2H-1,4-BENZOXAZIN-3(4H)-ONE
4pld[A][a][A][a][A][a]1.75
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
4ple[A][a][A][a][A][a]1.75
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
EPH:L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
4poh[A2][a2][A2][a2][A2][a2]2.3
2VR:(2E,4E,6Z,8E)-3,7-DIMETHYL-8-(8-METHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOICACID
4poj[A2][a2][A2][a2][A2][a2]2
2VP:(2E,4E,6Z,8E)-3,7-DIMETHYL-8-(7-METHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOICACID
4pp3[A2][a2][A2][a2][A2][a2]2
2VZ:(2E,4E,6Z,8E)-3,7-DIMETHYL-8-(6-METHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOICACID
4pp5[A2][a2][A2][a2][A2][a2]2
2W0:(2E,4E,6Z,8E)-3,7-DIMETHYL-8-(5-METHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOICACID
4pp6[A2][a2][A2][a2][A2][a2]2.2
STL:RESVERATROL
4ppp[A2][a2][A2][a2][A2][a2]2.69
FSV:5-[(E)-2-(3-FLUORO-4-HYDROXYPHENYL)ETHENYL]BENZENE-1,3-DIOL
4pps[A2][a2][A2][a2][A2][a2]1.93
ESE:(1S,3AR,5R,7AS)-5-(4-HYDROXYPHENYL)-7A-METHYLOCTAHYDRO-1H-INDEN-1-OL
4prg[A4][A4][A4]2.9
072:(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE
4pvu[A2][A2][A2]2.6
MGZ:(2R)-(4-CHLOROPHENYL)[3-(TRIFLUOROMETHYL)PHENOXY]ETHANOIC ACID
4pwl[A2][A2][A2]2.6
MSZ:(2S)-(4-CHLOROPHENYL)[3-(TRIFLUOROMETHYL)PHENOXY]ETHANOIC ACID
4pxm[A2][a2][A2][a2][A2][a2]1.9
EST:ESTRADIOL
4q0a[A2][a2][A2][a2][A2][a2]1.9
4OA:(3BETA,5BETA,14BETA,17ALPHA)-3-HYDROXYCHOLAN-24-OICACID
4q13[A2][a2][A2][a2][A2][a2]2.24
4q50[A2][A2][A2]3.07
OHT:4-HYDROXYTAMOXIFEN
SO4:SULFATE ION
4qe6[A][a][A][a][A][a]1.65
EDO:1,2-ETHANEDIOL
JN3:CHENODEOXYCHOLIC ACID
4qe8[A][a][A][a][A][a]2.62
31D:4-({2-[(4-TERT-BUTYLBENZOYL)AMINO]BENZOYL}AMINO)BENZOICACID
EDO:1,2-ETHANEDIOL
MRD:(4R)-2-METHYLPENTANE-2,4-DIOL
4qjr[A][a][A][a][A][a]2.4
ACT:ACETATE ION
PIZ:(2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}PROPANE-1,2-DIYL DIHEXADECANOATE
4qk4[A][a][A][a][A][a]2.81
EDO:1,2-ETHANEDIOL
PIK:(2S)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1,2-DIYLDIHEXADECANOATE
4ql8[A][A][A]2.1
JAD:2-CHLORO-4-[(3S,3AS,4S)-4-HYDROXY-3-METHOXY-3A,4,5,6-TETRAHYDRO-3H-PYRROLO[1,2-B]PYRAZOL-2-YL]-3-METHYLBENZONITRILE
4qm0[A][A][A]2.19
39K:N-(2-METHYLPROPYL)-N-({5-[4-(METHYLSULFONYL)PHENYL]THIOPHEN-2-YL}METHYL)-1-PHENYLMETHANESULFONAMIDE
DMS:DIMETHYL SULFOXIDE
4r06[A2][A2][A2]2.22
3E7:1-(NAPHTHALEN-1-YLSULFONYL)-N-[(1S)-1-PHENYLPROPYL]-1H-INDOLE-5-CARBOXAMIDE
SO4:SULFATE ION
4r2u[A2][A2][A2]2.3
3JX:4___sq___-[(2,3-DIMETHYL-5-{[(1S)-1-(4-NITROPHENYL)ETHYL]CARBAMOYL}-1H-INDOL-1-YL)METHYL]BIPHENYL-2-CARBOXYLIC ACID
4r6s[A2][A2][A2]2.3
3K2:4___sq___-[(2,3-DIMETHYL-5-{[(1R)-1-(4-NITROPHENYL)ETHYL]CARBAMOYL}-1H-INDOL-1-YL)METHYL]BIPHENYL-2-CARBOXYLIC ACID
4rak[A2][A2][A2]2.04
652:2-{2-[2-(2-CHLOROPHENYL)PROPAN-2-YL]-1-[3___sq___-(METHYLSULFONYL)BIPHENYL-4-YL]-1H-IMIDAZOL-4-YL}PROPAN-2-OL
BU1:1,4-BUTANEDIOL
4re8[A][A][A]2.16
3MJ:1-(3,4,5-TRIHYDROXYPHENYL)DODECAN-1-ONE
GOL:GLYCEROL
4ree[A][A][A]2.37
3MZ:1-(2,3,4-TRIHYDROXYPHENYL)NONAN-1-ONE
GOL:GLYCEROL
4ref[A][A][A]2.1
3N0:1-(3,4,5-TRIHYDROXYPHENYL)HEXAN-1-ONE
GOL:GLYCEROL
4rfw[A2][a2][A2][a2][A2][a2]2.4
3RB:(2E,4E,6Z,8E)-3,7-DIMETHYL-8-(6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-YLIDENE)OCTA-2,4,6-TRIENOIC ACID
4rmc[A2][a2][A2][a2][A2][a2]2.7
3SV:(3S,7S,8E)-8-[3-ETHYL-2-(3-METHYLBUTYL)CYCLOHEX-2-EN-1-YLIDENE]-3,7-DIMETHYLOCTANOIC ACID
4rmd[A2][a2][A2][a2][A2][a2]1.9
3SW:(2E,4E,6Z,8E)-8-[3-CYCLOPROPYL-2-(3-METHYLBUTYL)CYCLOHEX-2-EN-1-YLIDENE]-3,7-DIMETHYLOCTA-2,4,6-TRIENOIC ACID
4rme[A2][a2][A2][a2][A2][a2]2.3
3T2:(2E,4E,6Z,8E)-3,7-DIMETHYL-8-[2-(3-METHYLBUTYL)-3-(PROPAN-2-YL)CYCLOHEX-2-EN-1-YLIDENE]OCTA-2,4,6-TRIENOIC ACID
4ruj[A2][a2][A2][a2][A2][a2]2.35
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
4ruo[A2][a2][A2][a2][A2][a2]2.81
BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E)
4rup[A2][a2][A2][a2][A2][a2]2.75
H97:(1R,3R,7E,17BETA)-17-[(1R)-6,6,6-TRIFLUORO-5-HYDROXY-1-(4-HYDROXY-4-METHYLPENTYL)-5-(TRIFLUOROMETHYL)HEX-3-YN-1-YL]-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
4rwv[A][a][A][a][A][a]1.86
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
PIZ:(2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}PROPANE-1,2-DIYL DIHEXADECANOATE
TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
4rze[A2][A2][A2]2.49
GOL:GLYCEROL
4rzf[A2][A2][A2]1.99
GOL:GLYCEROL
4rzg[A2][A2][A2]2.7
GOL:GLYCEROL
ZHN:PENTYL (3,5-DIHYDROXY-2-NONANOYLPHENYL)ACETATE
4s0s[AB][AB][AB]2.8
4s0t[A2B2][A2B2][A2B2]3.14
40U:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-2-CYCLOPROPYLACETAMIDE
4s14[A6][a6][A6][a6][A6][a6]3.54
4D8:(3BETA,4ALPHA,5BETA,14BETA)-3-HYDROXY-4-METHYLCHOLESTA-8,24-DIENE-4-CARBOXYLIC ACID
4s15[A][a][A][a][A][a]1.9
4D8:(3BETA,4ALPHA,5BETA,14BETA)-3-HYDROXY-4-METHYLCHOLESTA-8,24-DIENE-4-CARBOXYLIC ACID
GOL:GLYCEROL
4tuz[AB][a2][AB][a2][A2][a2]1.9
36J:(3S,7R,11E)-7,14,16-TRIHYDROXY-3-METHYL-3,4,5,6,7,8,9,10-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECIN-1-ONE
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4tv1[AB][a2][AB][a2][A2][a2]1.85
36M:PROPYL 4-HYDROXYBENZOATE
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
4uda[A][a][A][a][A][a]2.03
DEX:DEXAMETHASONE
GOL:GLYCEROL
4udb[A][a][A][a][A][a]2.36
CV7:DESISOBUYTYRYL CICLESONIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
SO4:SULFATE ION
4udc[A][a][A][a][A][a]2.5
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
DEX:DEXAMETHASONE
4udd[A][a][A][a][A][a]1.8
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
CV7:DESISOBUYTYRYL CICLESONIDE
EDO:1,2-ETHANEDIOL
4whf[A][A][A]2.27
3MX:1-(3,4,5-TRIHYDROXYPHENYL)DECAN-1-ONE
GOL:GLYCEROL
4whg[A][A][A]2.18
3NB:1-(3,4,5-TRIHYDROXYPHENYL)OCTAN-1-ONE
GOL:GLYCEROL
4wlb[A2][a2][A2][a2][A2][a2]1.7
3QQ:N-(4-FLUOROBENZYL)-N-(2-METHYLPROPYL)-6-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIDINE-3-SULFONAMIDE
TLA:L(+)-TARTARIC ACID
4wpf[A][a][A][a][A][a]2.2
3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE
4wqp[A][A][A]1.99
3SX:N-[4-(4-ACETYLPIPERAZIN-1-YL)BENZYL]-N-(2-METHYLPROPYL)-1-PHENYLMETHANESULFONAMIDE
SO4:SULFATE ION
4wvd[A][a][A][a][A][a]2.9
FMT:FORMIC ACID
IVM:(2AE,4E,5___sq___S,6S,6___sq___R,7S,8E,11R,13R,15S,17AR,20R,20AR,20BS)-6___sq___-[(2S)-BUTAN-2-YL]-20,20B-DIHYDROXY-5___sq___,6,8,19-TETRAMETHYL-17-OXO-3___sq___,4___sq___,5___sq___,6,6___sq___,10,11,14,15,17,17A,20,20A,20B-TETRADECAHYDRO-2H,7H-SPIRO[11,15-METHANOFURO[4,3,2-PQ][2,6]BENZODIOXACYCLOOCTADECINE-13,2___sq___-PYRAN]-7-YL 2,6-DIDEOXY-4-O-(2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSYL)-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE
4x1f[A2][A2][A2]2
3WF:ETHINYL ESTRADIOL
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
4x1g[A2][A2][A2]2.25
3WF:ETHINYL ESTRADIOL
3WG:TRANS-NONACHLOR
IPA:ISOPROPYL ALCOHOL
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
4xao[A2][A2][A2]2.58
IPA:ISOPROPYL ALCOHOL
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
4xhd[A][A][A]2.4
40U:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-2-CYCLOPROPYLACETAMIDE
GOL:GLYCEROL
4xi3[A2][A2][A2]2.49
29S:BAZEDOXIFENE
4xld[A][A][A]2.45
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
FMT:FORMIC ACID
4xt9[A][a][A][a][A][a]2.25
43V:N-[4-(2,5-DICHLOROPHENYL)-5-PHENYL-1,3-THIAZOL-2-YL]-2-[4-(ETHYLSULFONYL)PHENYL]ACETAMIDE
SO4:SULFATE ION
4xta[A][A][A]2.5
DIF:2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID
4xuh[A][A][A]2.22
SFI:2-[(3Z)-6-FLUORANYL-2-METHYL-3-[(4-METHYLSULFANYLPHENYL)METHYLIDENE]INDEN-1-YL]ETHANOICACID
4xum[A][A][A]2.4
IMN:INDOMETHACIN
4y29[A][a][A][a][A][a]1.98
CTI:1,2-DIMETHOXY-12-METHYL[1,3]BENZODIOXOLO[5,6-C]PHENANTHRIDIN-12-IUM
4ymq[A][A][A]2
GOL:GLYCEROL
NA:SODIUM ION
ZBD:4-{3-[4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)BENZYL]-2,2-DIOXIDO-2,1,3-BENZOTHIADIAZOL-1(3H)-YL}-N-[(2R)-4-HYDROXYBUTAN-2-YL]-N-METHYLBUTANAMIDE
4ynk[A][a][A][a][A][a]2.3
YW2:(1R,3R,7E,17BETA)-17-{(5S)-5-HYDROXY-5-[(3R,5R,7R)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PENTA-1,3-DIYN-1-YL}-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL
4ypq[A][A][A]2.32
4F1:4-{1-[2-CHLORO-6-(TRIFLUOROMETHYL)BENZOYL]-1H-INDAZOL-3-YL}BENZOIC ACID
MG:MAGNESIUM ION
4yt1[A2][A2][A2]2.2
JJB:N-(BENZYLSULFONYL)-4-PROPOXY-3-({[4-(PYRIMIDIN-2-YL)BENZOYL]AMINO}METHYL)BENZAMIDE
4zi1[A2][a2][A2][a2][A2][a2]2.1
KB0:2-(4-HYDROXYPHENYL)-7-METHYL-3-PHENYL-1H-INDEN-5-OL
4zjr[A][A][A]2.7
4P3:6-CHLORO-4___sq___-[(2-CHLORO-6-FLUOROBENZOYL)(METHYL)AMINO]-3___sq___-(2,2,2-TRIFLUOROETHOXY)BIPHENYL-3-CARBOXAMIDE
4zjw[A][A][A]2.5
4P1:4-CHLORO-3-[1-(2-CHLORO-6-FLUOROBENZOYL)-1,2,3,4-TETRAHYDROQUINOLIN-6-YL]-N-METHYLBENZAMIDE
4zn7[A2][a2][A2][a2][A2][a2]1.93
DES:DIETHYLSTILBESTROL
4zn9[A2][a2][A2][a2][A2][a2]2.22
OBH:CYCLOHEXA-2,5-DIEN-1-YL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
4znh[A2][a2][A2][a2][A2][a2]1.93
OBC:2-FLUOROPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
4zns[A2][a2][A2][a2][A2][a2]1.86
OFB:3-FLUOROPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
4znt[A2][a2][A2][a2][A2][a2]1.9
OBB:3-BROMOPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
4znu[A2][a2][A2][a2][A2][a2]2.4
4Q9:2-METHYLPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
4znv[A2][a2][A2][a2][A2][a2]1.77
4Q7:2-METHOXYPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
4znw[A2][a2][A2][a2][A2][a2]2.31
OBM:4-BROMOPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
4zo1[AB][a][AB][a][A2][a]3.22
T3:3,5,3___sq___TRIIODOTHYRONINE
4zom[A][A][A]2.27
4Q3:N-{4-[3-(ACETYLAMINO)-1-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]-2-[(1R,5S)-3-AZABICYCLO[3.1.0]HEX-3-YL]PHENYL}-2-CHLORO-6-FLUORO-N-METHYLBENZAMIDE
4zsh[A2][a2][A2][a2][A2][a2]1.8
4XW:(5S,6S,9R,13R)-2,3-DIDEHYDRO-5,6,7,8,9,10,11,12,13,14-DECAHYDRORETINOIC ACID
5a86[A2][a2][A2][a2][A2][a2]2.25
D7E:4-CHLORO-N-[(1R)-1-[1-ETHYL-6-(TRIFLUOROMETHYL)BENZIMIDAZOL-2-YL]ETHYL]BENZENESULFONAMIDE
5aau[A2][A2][A2]1.9
XBR:3-(1-(4-CHLOROPHENYL)-3,4-DIHYDRO-1H-PYRIDO(3,4-B)INDOL-2(9H)-YL)PROPANOIC ACID
5aav[AB][AB][A2]1.95
GW5:(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID
5acc[A2][A2][A2]1.88
KE9:(E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2-METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLICACID
5ak2[A2][A2][A2]2.19
85Z:(E)-3-[4-[[3-(4-FLUORANYL-2-METHYL-PHENYL)-7-OXIDANYL-2-OXIDANYLIDENE-CHROMEN-4-YL]METHYL]PHENYL]PROP-2-ENOIC ACID
5aph[A][a][A][a][A][a]1.54
DMS:DIMETHYL SULFOXIDE
VYI:N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE
5apj[A][a][A][a][A][a]2.08
76E:2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE
NA:SODIUM ION
5apk[A2][a][A2][a][A2][a]2.1
76E:2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE
5avi[A2][a2][A2][a2][A2][a2]2.7
4KM:TERT-BUTYL 2-[[4-[ETHANOYL(METHYL)AMINO]PHENOXY]METHYL]-5-(TRIFLUOROMETHYL)BENZOATE
5avl[A2][a2][A2][a2][A2][a2]2.8
4KQ:2-[4-[4-[[2-[(2-METHYLPROPAN-2-YL)OXYCARBONYL]-3-OXIDANYL-4-(TRIFLUOROMETHYL)PHENYL]METHOXY]PHENYL]PHENYL]ETHANOIC ACID
5awj[A][a][A][a][A][a]2.2
YSL:(1R,3R)-5-[(2E)-2-[(1R,3AS,7AR)-1-[(2R,3S)-3-(2-HYDROXYETHYL)NONAN-2-YL]-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-2-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5awk[A][a][A][a][A][a]2.9
YSE:(1R,3R)-5-[(2E)-2-[(1R,3AS,7AR)-1-[(2R,3S)-3-ETHYL-5-OXIDANYL-PENTAN-2-YL]-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-2-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5ayg[A][A][A]2.6
4LQ:3-[5-(2-CYCLOHEXYLETHYL)-4-ETHYL-1,2,4-TRIAZOL-3-YL]-N-NAPHTHALEN-1-YL-PROPANAMIDE
5azt[A][a][A][a][A][a]3.45
4M5:(4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-OXIDANYLIDENEDOCOSA-4,7,10,13,19-PENTAENOIC ACID
5azv[A][A][A]2.7
4M5:(4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-OXIDANYLIDENEDOCOSA-4,7,10,13,19-PENTAENOIC ACID
5b41[A][a][A][a][A][a]1.89
YSV:(1R,3R)-5-(2-((1R,3AS,7AR,E)-1-((R)-6-HYDROXY-6-METHYLHEPTAN-2-YL)-7A-METHYLOCTAHYDRO-4H-INDEN-4-YLIDENE)ETHYLIDENE)-2-METHYLENECYCLOHEXANE-1,3-DIOL
5b5b[A][a][A][a][A][a]2
AKX:(1R,3R)-5-[(2E)-2-[(1R,3AS,7AR)-7A-METHYL-1-[(2R)-6-OXIDANYL-7-PHENYL-6-(PHENYLMETHYL)HEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-2-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5c4o[A][A][A]2.24
4F1:4-{1-[2-CHLORO-6-(TRIFLUOROMETHYL)BENZOYL]-1H-INDAZOL-3-YL}BENZOIC ACID
GOL:GLYCEROL
SO4:SULFATE ION
5c4s[A][A][A]2.23
4Y5:4-{1-[2-CHLORO-6-(TRIFLUOROMETHYL)BENZOYL]-4-FLUORO-1H-INDAZOL-3-YL}-3-FLUOROBENZOIC ACID
GOL:GLYCEROL
5c4t[A][A][A]1.77
4Y6:(1S)-4-{1-[2-CHLORO-6-(TRIFLUOROMETHYL)BENZOYL]-4-FLUORO-1H-INDAZOL-3-YL}-1-METHYLCYCLOHEX-3-ENE-1-CARBOXYLIC ACID
GOL:GLYCEROL
SO4:SULFATE ION
5c4u[A][A][A]2.08
4Y7:4-{1-[2-CHLORO-6-(TRIFLUOROMETHYL)BENZOYL]-1H-PYRAZOLO[4,3-B]PYRIDIN-3-YL}-5-FLUORO-2-HYDROXYBENZOICACID
GOL:GLYCEROL
5cj6[A][a][A][a][A][a]2.07
51Y:2-CHLORO-4-{[(1R,2R)-2-HYDROXY-2-METHYLCYCLOPENTYL]AMINO}-3-METHYLBENZONITRILE
5di7[A2][a2][A2][a2][A2][a2]2.24
5CQ:(1S,3AR,5S,7AS)-5-(4-HYDROXY-2-METHYLPHENYL)-7A-METHYLOCTAHYDRO-1H-INDEN-1-OL
5did[A2][a2][A2][a2][A2][a2]2.24
5CK:(1S,3AR,5S,7AS)-5-(2,3-DIFLUORO-4-HYDROXYPHENYL)-7A-METHYLOCTAHYDRO-1H-INDEN-1-OL
5die[A2][a2][A2][a2][A2][a2]2.24
5CJ:(1S,3AR,5S,7AS)-7A-METHYL-5-(2,3,5-TRIFLUORO-4-HYDROXYPHENYL)OCTAHYDRO-1H-INDEN-1-OL
5dig[A2][a2][A2][a2][A2][a2]2.24
5CE:(1S,3AR,5S,7AS)-5-[4-HYDROXY-2-(TRIFLUOROMETHYL)PHENYL]-7A-METHYLOCTAHYDRO-1H-INDEN-1-OL
5dk9[A2][a2][A2][a2][A2][a2]2.28
5CC:4,4___sq___-{2-[3-(PHENYLAMINO)PHENYL]BUT-1-ENE-1,1-DIYL}DIPHENOL
5dkb[A2][a2][A2][a2][A2][a2]2.4
5C9:4,4___sq___-(2-{3-[(3-METHYLPHENYL)AMINO]PHENYL}BUT-1-ENE-1,1-DIYL)DIPHENOL
5dke[A2][a2][A2][a2][A2][a2]2.6
5C8:4,4___sq___-[2-(NAPHTHALEN-2-YL)PROP-1-ENE-1,1-DIYL]DIPHENOL
5dkg[A2][a2][A2][a2][A2][a2]2.15
5C7:4,4___sq___-[2-(4-TERT-BUTYLPHENYL)PROP-1-ENE-1,1-DIYL]DIPHENOL
5dks[A2][a2][A2][a2][A2][a2]2.6
5C6:4,4___sq___-{2-[3-(NAPHTHALEN-1-YLAMINO)PHENYL]BUT-1-ENE-1,1-DIYL}DIPHENOL
5dl4[A2][a2][A2][a2][A2][a2]2.1
5C4:4,4___sq___-{2-[3-(PHENYLAMINO)PHENYL]PROP-1-ENE-1,1-DIYL}DIPHENOL
5dlr[A2][a2][A2][a2][A2][a2]2.26
5DJ:4,4___sq___-(2-PHENYLETHENE-1,1-DIYL)DIPHENOL
5dmc[A2][a2][A2][a2][A2][a2]2.4
5DH:3,3-BIS(4-HYDROXYPHENYL)-2-PHENYLPROP-2-ENENITRILE
5dmf[A2][a2][A2][a2][A2][a2]2.4
5DG:4,4___sq___-(2-{3-[(4-FLUOROPHENYL)AMINO]PHENYL}PROP-1-ENE-1,1-DIYL)DIPHENOL
5dp0[A2][a2][A2][a2][A2][a2]2.38
5ES:4,4___sq___-(2-{3-[(4-FLUOROPHENYL)AMINO]PHENYL}ETHENE-1,1-DIYL)DIPHENOL
5drj[A2][a2][A2][a2][A2][a2]2.07
5EU:4,4___sq___-(3-METHYLTHIENE-2,5-DIYL)BIS(3-CHLOROPHENOL)
5drm[A2][a2][A2][a2][A2][a2]2.24
5ET:4,4___sq___-THIENE-2,5-DIYLBIS(3-CHLOROPHENOL)
5dsh[A][a][A][a][A][a]2.95
6BH:N-[3-(BENZYLOXY)PHENYL]-3-NITROBENZAMIDE
5dtv[A2][a2][A2][a2][A2][a2]2.3
5FS:3,4-BIS(4-HYDROXY-2-METHYLPHENYL)-1H-1LAMBDA~6~-THIOPHENE-1,1-DIONE
5du5[A2][a2][A2][a2][A2][a2]2.2
5G2:3,4-BIS(2-CHLORO-4-HYDROXYPHENYL)-1H-1LAMBDA~6~-THIOPHENE-1,1-DIONE
5due[A2][a2][A2][a2][A2][a2]2.09
5FY:4-HYDROXYPHENYL (1S,2S,4S,7S)-5,6-BIS(4-HYDROXY-2-METHYLPHENYL)-7-THIABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE 7-OXIDE
5dug[A2][a2][A2][a2][A2][a2]2.25
5FV:PHENYL (1S,2S,4S,7S)-5,6-BIS(4-HYDROXY-2-METHYLPHENYL)-7-THIABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE 7-OXIDE
5duh[A2][a2][A2][a2][A2][a2]2.24
5FT:PHENYL (1S,2S,4S,7S)-5,6-BIS(4-HYDROXY-3-METHYLPHENYL)-7-THIABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE 7-OXIDE
5dv3[A][a][A][a][A][a]2.75
B05:N-[2-(BENZYLOXY)PHENYL]-3-NITROBENZAMIDE
5dv6[A][a][A][a][A][a]2.8
B4H:N-METHYLIDENE-3-NITROBENZAMIDE
5dv8[A][a][A][a][A][a]2.75
T51:N-[2-({2-[({4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOYL}AMINO)METHYL]BENZYL}OXY)PHENYL]-3-NITROBENZAMIDE
5dvc[A][a][A][a][A][a]2.3
T53:N-[2-({3-[({4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOYL}AMINO)METHYL]BENZYL}OXY)PHENYL]-3-NITROBENZAMIDE
5dvs[A2][a2][A2][a2][A2][a2]2.28
5G7:4,4___sq___-[(2-METHYLPHENYL)CARBONIMIDOYL]DIPHENOL
5dvv[A2][a2][A2][a2][A2][a2]2.51
5G6:4,4___sq___-(PHENYLCARBONIMIDOYL)DIPHENOL
5dwe[A2][a2][A2][a2][A2][a2]1.92
5G5:4,4___sq___-[(2-CHLOROPHENYL)CARBONIMIDOYL]DIPHENOL
5dwg[A2][a2][A2][a2][A2][a2]2.3
5G4:4-{(E)-(4-HYDROXYPHENYL)[(2-METHYLPHENYL)IMINO]METHYL}BENZENE-1,3-DIOL
5dwi[A2][a2][A2][a2][A2][a2]2.43
5G3:4-[(E)-[(2-CHLOROPHENYL)IMINO](4-HYDROXYPHENYL)METHYL]BENZENE-1,3-DIOL
5dwj[A2][a2][A2][a2][A2][a2]2
5J2:4-[(E)-[(4-FLUOROPHENYL)IMINO](4-HYDROXYPHENYL)METHYL]BENZENE-1,3-DIOL
5dwl[A][a][A][a][A][a]2.2
3JX:4___sq___-[(2,3-DIMETHYL-5-{[(1S)-1-(4-NITROPHENYL)ETHYL]CARBAMOYL}-1H-INDOL-1-YL)METHYL]BIPHENYL-2-CARBOXYLIC ACID
5dx3[AB][a2][AB][a2][A2][a2]2.09
5GM:(4S)-2,4-DIMETHYL-L-NORLEUCINE
ACE:ACETYL GROUP
CL:CHLORIDE ION
EST:ESTRADIOL
MK8:2-METHYL-L-NORLEUCINE
NH2:AMINO GROUP
5dxb[AB][a2][AB][a2][A2][a2]2.08
66D:(4R)-2,4-DIMETHYL-L-NORLEUCINE
ACE:ACETYL GROUP
CL:CHLORIDE ION
EST:ESTRADIOL
GOL:GLYCEROL
MK8:2-METHYL-L-NORLEUCINE
NH2:AMINO GROUP
SCH:S-METHYL-THIO-CYSTEINE
5dxe[A2][a2][A2][a2][A2][a2]1.5
ACE:ACETYL GROUP
EST:ESTRADIOL
MK8:2-METHYL-L-NORLEUCINE
NH2:AMINO GROUP
SCH:S-METHYL-THIO-CYSTEINE
5dxg[A2][a2][A2][a2][A2][a2]1.86
EST:ESTRADIOL
GOL:GLYCEROL
MH8:(2S)-2-AMINO-2-METHYLHEPT-6-ENOIC ACID
NH2:AMINO GROUP
SCH:S-METHYL-THIO-CYSTEINE
5dxk[A2][a2][A2][a2][A2][a2]2.23
5J1:4,4___sq___-[(9S)-BICYCLO[3.3.1]NON-9-YLMETHANEDIYL]DIPHENOL
5dxm[A2][a2][A2][a2][A2][a2]2.37
5J0:3-[(E)-(1S,5S)-BICYCLO[3.3.1]NON-9-YLIDENE(4-HYDROXYPHENYL)METHYL]PHENOL
5dxp[A2][a2][A2][a2][A2][a2]2.2
5HX:4-[(E)-(1S,5S)-BICYCLO[3.3.1]NON-9-YLIDENE(PHENYL)METHYL]PHENOL
5dxq[A2][a2][A2][a2][A2][a2]2.4
5HZ:4,4___sq___-[(1S,5S)-BICYCLO[3.3.1]NON-9-YLIDENEMETHANEDIYL]DIPHENOL
5dxr[A2][a2][A2][a2][A2][a2]2.28
5HW:4,4___sq___-{[(3R)-3-METHYLCYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5dy8[A2][a2][A2][a2][A2][a2]2.03
5K4:4,4___sq___-{[(3S)-3-ETHYLCYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5dyb[A2][a2][A2][a2][A2][a2]2.27
5K2:4,4___sq___-(3,4-DIHYDRONAPHTHALEN-2(1H)-YLIDENEMETHANEDIYL)DIPHENOL
5dyd[A2][a2][A2][a2][A2][a2]2.49
5K1:4,4___sq___-{[(3S)-3-(METHYLSULFANYL)CYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5dz0[A2][a2][A2][a2][A2][a2]2.24
5K0:4,4___sq___-[(4-METHYLCYCLOHEXYLIDENE)METHANEDIYL]DIPHENOL
5dz1[A2][a2][A2][a2][A2][a2]2.2
5JY:4,4___sq___-[(4-ETHYLCYCLOHEXYLIDENE)METHANEDIYL]DIPHENOL
5dz3[A2][a2][A2][a2][A2][a2]2.15
5JX:4,4___sq___-{[4-(FLUOROMETHYL)CYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5dzh[A2][a2][A2][a2][A2][a2]2.11
5KG:4,4___sq___-{[4-(2-HYDROXYETHYL)CYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5dzi[A2][a2][A2][a2][A2][a2]1.9
5KF:4,4___sq___-{[(3S)-3-(2-HYDROXYETHYL)CYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5e0w[A2][a2][A2][a2][A2][a2]2
5KE:4,4___sq___-{[(3S)-3-(4-HYDROXYPHENYL)CYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5e0x[A2][a2][A2][a2][A2][a2]2.01
5KD:4,4___sq___-{[(3S)-3-(4-METHOXYPHENYL)CYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5e14[A2][a2][A2][a2][A2][a2]2.22
5KB:4,4___sq___-{[(3R)-3-PHENYLCYCLOHEXYLIDENE]METHANEDIYL}DIPHENOL
5e15[A2][a2][A2][a2][A2][a2]2.1
5KA:4,4___sq___-({4-[2-(4-FLUOROBUTOXY)ETHYL]CYCLOHEXYLIDENE}METHANEDIYL)DIPHENOL
5e19[A2][a2][A2][a2][A2][a2]2.24
5K7:METHYL {4-[BIS(4-HYDROXYPHENYL)METHYLIDENE]CYCLOHEXYL}ACETATE
5e1c[A2][a2][A2][a2][A2][a2]1.98
5K8:DIMETHYL {(1S)-3-[BIS(4-HYDROXYPHENYL)METHYLIDENE]CYCLOHEXYL}PROPANEDIOATE
5e7v[A2][a2][A2][a2][A2][a2]2.4
M7E:1-ALPHA-HYDROXY-27-NOR-25-O-CARBONYL-VITAMIN D3
5ec9[A2][a2][A2][a2][A2][a2]2.3
5LO:4-[(11S,15R)-4,4,7,7-TETRAMETHYL-16-OXATETRACYCLO[8.6.0.03,8.011,15]HEXADECA-1(10),2,8-TRIEN-11-YL]BENZOIC ACID
5egv[A2][a2][A2][a2][A2][a2]2.86
5OS:3-CHLORANYL-4-[4-(2-CHLORANYL-4-OXIDANYL-PHENYL)FURAN-3-YL]PHENOL
5ehj[A2][a2][A2][a2][A2][a2]2.5
5K5:4,4___sq___-[(4AR,8AR)-OCTAHYDRONAPHTHALEN-2(1H)-YLIDENEMETHANEDIYL]DIPHENOL
5ei1[A2][a2][A2][a2][A2][a2]2.4
5OR:2-(4-HYDROXYPHENYL)-3-IODANYL-IMIDAZO[1,2-A]PYRIDIN-6-OL
5eit[A2][a2][A2][a2][A2][a2]2.68
5P1:2-(4-HYDROXYPHENYL)-3-(TRIFLUOROMETHYL)IMIDAZO[1,2-A]PYRIDIN-6-OL
5ejv[A][a][A][a][A][a]2.58
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
5eth[A][A][A]2.8
5RT:1-METHYL-~{N}-(1-THIOPHEN-2-YLCARBONYL-3,4-DIHYDRO-2~{H}-QUINOLIN-6-YL)-~{N}-[2,2,2-TRIS(FLUORANYL)ETHYL]INDOLE-4-SULFONAMIDE
5f9b[A2][A2][A2]2.25
5VN:CAULOPHYLLOGENIN
5fqp[A2][A2][A2]1.88
GQD:(E)-3-[4-[(1R,3R)-6-HYDROXY-2-ISOBUTYL-3-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID
5fqr[A2][A2][A2]1.88
QHG:(E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID
5fqs[A2][A2][A2]1.94
J0W:(E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOICACID
5fqt[A2][A2][A2]1.99
7QN:(E)-3-[4-(6-HYDROXY-2-ISOBUTYL-5-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID
5fqv[A2][A2][A2]1.74
VQI:(E)-3-[4-(6-HYDROXY-2-ISOBUTYL-7-METHYL-3,4-DIHYDRO-1H- ISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID
5g3j[A][a][A][a][A][a]2.4
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
E7T:5-[[(1S,2R,4R)-4-ETHYL-6,7-BIS(FLUORANYL)-2,5-BIS(OXIDANYL)-2-(TRIFLUOROMETHYL)-3,4-DIHYDRO-1H-NAPHTHALEN-1-YL]AMINO]-1H-QUINOLIN-2-ONE
EDO:1,2-ETHANEDIOL
5g42[A][a][A][a][A][a]1.72
4TU:5-CHLORANYL-2,3-DIHYDROINDOLE-1-CARBOXAMIDE
NA:SODIUM ION
5g43[A][a][A][a][A][a]2.58
5IM:2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE
5g44[A][a][A][a][A][a]1.84
DMS:DIMETHYL SULFOXIDE
I6G:8-METHOXY-2,3-DIMETHYLQUINOXALIN-5-OL
NA:SODIUM ION
SWX:(4-PYRIMIDIN-5-YLPHENYL)METHANOL
YTZ:4-AMINO-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
5g45[A][a][A][a][A][a]2.07
A7W:8-AMINO-3-QUINOLINOL
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
5g46[A][a][A][a][A][a]1.76
6VD:2-ETHYL-4(1H)-QUINOLINONE
NA:SODIUM ION
5g5w[A][a][A][a][A][a]2.2
EDO:1,2-ETHANEDIOL
R8C:2,2,2-TRIFLUORO-N-[(1R,2S)-1-{[1-(4-FLUOROPHENYL)-1H-INDAZOL-5-YL]OXY}-1-PHENYLPROPAN-2-YL]ACETAMIDE
5gic[A][a][A][a][A][a]2.35
DLC:(3R,5S)-5-{(2R,3R)-3-[(1R,2S,3Z)-3-{(2E)-2-[(3S,5R)-3,5-DIHYDROXY-2-METHYLIDENECYCLOHEXYLIDENE]ETHYLIDENE}-1,2-DIMETHYLCYCLOHEXYL]-2-METHYLBUTYL}-3-HYDROXY-3-METHYL-1-(2-PHENYLETHYL)PYRROLIDIN-2-ONE
5gid[A][a][A][a][A][a]2.15
VDP:(3R,5S)-5-[(2R)-2-[(1R,3AS,4E,7AR)-7A-METHYL-4-[(2Z)-2-[(3S,5R)-2-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-1-YL]PROPYL]-3-METHYL-3-OXIDANYL-1-(4-PHENYLBUTYL)PYRROLIDIN-2-ONE
5gie[A][a][A][a][A][a]2.39
VDP:(3R,5S)-5-[(2R)-2-[(1R,3AS,4E,7AR)-7A-METHYL-4-[(2Z)-2-[(3S,5R)-2-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-1-YL]PROPYL]-3-METHYL-3-OXIDANYL-1-(4-PHENYLBUTYL)PYRROLIDIN-2-ONE
5gs4[A][a][A][a][A][a]2.4
DNP:3-AMINO-ALANINE
EST:ESTRADIOL
IAS:BETA-L-ASPARTIC ACID
NH2:AMINO GROUP
PO4:PHOSPHATE ION
5gt4[A][A][A]1.83
2KB:4-{[(1R,2S,3R,5Z,7E,14BETA,17ALPHA)-1,3,25-TRIHYDROXY-9,10-SECOCHOLESTA-5,7,10-TRIEN-2-YL]OXY}BUTANENITRILE
5gtn[A][a][A][a][A][a]1.85
Q35:2-[4-[5-[(1~{R})-1-[(3,5-DIMETHOXYPHENYL)CARBAMOYL-(PHENYLMETHYL)CARBAMOYL]OXYPROPYL]-1,2-OXAZOL-3-YL]PHENOXY]-2-METHYL-PROPANOIC ACID
5gto[A][a][A][a][A][a]2.1
GOL:GLYCEROL
MYR:MYRISTIC ACID
T35:2-[4-[5-[(1~{S})-1-[(3,5-DIMETHOXYPHENYL)CARBAMOYL-(PHENYLMETHYL)CARBAMOYL]OXYPROPYL]-1,2-OXAZOL-3-YL]PHENOXY]-2-METHYL-PROPANOIC ACID
5gtp[A][a][A][a][A][a]2.35
GOL:GLYCEROL
MYR:MYRISTIC ACID
5gtr[A][a][A][a][A][a]2.8
0JY:4-METHYL-L-LEUCINE
DPP:DIAMINOPROPANOIC ACID
EST:ESTRADIOL
IAS:BETA-L-ASPARTIC ACID
NH2:AMINO GROUP
5h1e[A][a][A][a][A][a]2.6
VDX:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
5hcv[A][A][A]2.5
60R:6-[(~{E})-(3-FLUORANYL-6~{H}-BENZO[C][1]BENZOXEPIN-11-YLIDENE)METHYL]-4~{H}-1,4-BENZOXAZIN-3-ONE
CL:CHLORIDE ION
5hjp[AB][A2][A2]2.6
668:2-CHLORO-4-{1___sq___-[(2R)-2-HYDROXY-3-METHYL-2-(TRIFLUOROMETHYL)BUTANOYL]-4,4___sq___-BIPIPERIDIN-1-YL}-N,N-DIMETHYLBENZAMIDE
PEG:DI(HYDROXYETHYL)ETHER
5hjs[A2][a2][A2][a2][A2][a2]1.72
668:2-CHLORO-4-{1___sq___-[(2R)-2-HYDROXY-3-METHYL-2-(TRIFLUOROMETHYL)BUTANOYL]-4,4___sq___-BIPIPERIDIN-1-YL}-N,N-DIMETHYLBENZAMIDE
SO4:SULFATE ION
5hyk[A][A][A]1.83
65W:2-METHYL-2-[4-(NAPHTHALEN-1-YL)PHENOXY]PROPANOIC ACID
5hyr[A2][a2][A2][a2][A2][a2]2.27
66D:(4R)-2,4-DIMETHYL-L-NORLEUCINE
ACE:ACETYL GROUP
EST:ESTRADIOL
GOL:GLYCEROL
MK8:2-METHYL-L-NORLEUCINE
NH2:AMINO GROUP
5hzc[A2][A2][A2]2
65W:2-METHYL-2-[4-(NAPHTHALEN-1-YL)PHENOXY]PROPANOIC ACID
5i4v[AB][AB][A2]2.61
67S:{2-[(2R)-4-[4-(HYDROXYMETHYL)-3-(METHYLSULFONYL)PHENYL]-2-(PROPAN-2-YL)PIPERAZIN-1-YL]-4-(TRIFLUOROMETHYL)PYRIMIDIN-5-YL}METHANOL
5iaw[A][a][A][a][A][a]2.58
T73:(1S,2R,4S)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 4-HYDROXYBENZOATE
5ick[A][a][A][a][A][a]2.47
FEZ:(1S,2S,3Z,5S,8Z)-5-HYDROXY-5,9-DIMETHYL-2-(PROPAN-2-YL)CYCLODECA-3,8-DIEN-1-YL 4-HYDROXYBENZOATE
5ixk[A][A][A]2.35
6EW:N-(5-ETHYL-3,3-DIMETHYL-4-OXO-2,3,4,5-TETRAHYDRO-1,5-BENZOXAZEPIN-8-YL)-3,4-DIMETHYL-N-(2,2,2-TRIFLUOROETHYL)BENZENE-1-SULFONAMIDE
5iz0[A][a][A][a][A][a]2.64
6F1:N-(4-ETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)-3,4-DIMETHYL-N-(2,2,2-TRIFLUOROETHYL)BENZENE-1-SULFONAMIDE
CL:CHLORIDE ION
5ji0[AB][a2][AB][a2][A2][a2]1.98
9CR:(9CIS)-RETINOIC ACID
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
5jjm[A2][a2b2][A2][a2b2][A2][a2b2]2.15
ACT:ACETATE ION
CL:CHLORIDE ION
DHT:5-ALPHA-DIHYDROTESTOSTERONE
EDO:1,2-ETHANEDIOL
FME:N-FORMYLMETHIONINE
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
SNC:S-NITROSO-CYSTEINE
SO4:SULFATE ION
ZN:ZINC ION
5jmm[AB][a2][A2][a2][A2][a2]2.1
CSO:S-HYDROXYCYSTEINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
QSO:5,7-DIHYDROXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE
5jy3[A2][A2][A2]2.4
6OX:2-[2-[2-[2,6-BIS(CHLORANYL)PHENYL]PROPAN-2-YL]-1-[2-FLUORANYL-4-[3-FLUORANYL-4-(HYDROXYMETHYL)-5-METHYLSULFONYL-PHENYL]PHENYL]IMIDAZOL-4-YL]PROPAN-2-OL
BU1:1,4-BUTANEDIOL
5k13[A][A][A]1.85
6Q7:4-{5-(3-TERT-BUTYLPHENYL)-1-[4-(METHYLSULFONYL)PHENYL]-1H-PYRAZOL-3-YL}BENZOIC ACID
5k38[A][A][A]2.05
5k3l[A][A][A]2.75
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
5k3m[A][A][A]2.89
6Q5:URSOLIC ACID
5k3n[A][A][A]2.67
6Q6:(3S)-3-(2H-1,3-BENZODIOXOL-5-YL)-1-[(3R,5S)-3,5-DIMETHYLPIPERIDIN-1-YL]-3-(2-HYDROXY-4,6-DIMETHOXYPHENYL)PROPAN-1-ONE
5k6e[A][A][A]2.8
6QP:2-CHLORANYL-6-FLUORANYL-~{N}-[(2~{R})-4-(4-FLUOROPHENYL)SULFONYL-2-(HYDROXYMETHYL)-2,3-DIHYDRO-1,4-BENZOXAZIN-6-YL]BENZAMIDE
5k74[A][A][A]2.75
6QW:~{N}-[[3-METHYL-4-(4-METHYLSULFONYLPHENYL)PHENYL]METHYL]-~{N}-(2-METHYLPROPYL)-1-PHENYL-METHANESULFONAMIDE
5kcc[A2][a2][A2][a2][A2][a2]2.39
OB1:(1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-N-PHENYL-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
5kcd[A2][a2][A2][a2][A2][a2]1.82
OB2:(1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-N-METHYL-N-PHENYL-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
5kce[A2][a2][A2][a2][A2][a2]1.85
OB3:(1S,2R,4S)-N-(2-CHLOROPHENYL)-5,6-BIS(4-HYDROXYPHENYL)-N-METHYL-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
5kcf[A2][a2][A2][a2][A2][a2]2.07
OB4:(1S,2R,4S)-N-ETHYL-5,6-BIS(4-HYDROXYPHENYL)-N-(4-METHOXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
OB5:(1R,2S,4R)-N-ETHYL-5,6-BIS(4-HYDROXYPHENYL)-N-(4-METHOXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
5kct[A2][a2][A2][a2][A2][a2]1.6
OB6:(1S,2R,4S)-N-(4-CHLOROPHENYL)-N-ETHYL-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
OB7:(1R,2S,4R)-N-(4-CHLOROPHENYL)-N-ETHYL-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
5kcu[A2][a2][A2][a2][A2][a2]2.03
OB8:(1S,2R,4S)-N-ETHYL-5,6-BIS(4-HYDROXYPHENYL)-N-(NAPHTHALEN-2-YL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
5kcw[A2][a2][A2][a2][A2][a2]1.91
OB9:(1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-N-PHENYL-N-(2,2,2-TRIFLUOROETHYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
5kd9[A2][a2][A2][a2][A2][a2]1.78
OBT:(1S,2R,4S)-N-(4-CHLOROPHENYL)-5,6-BIS(4-HYDROXYPHENYL)-N-(2,2,2-TRIFLUOROETHYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE
5kr9[A2][a2][A2][a2][A2][a2]2.25
CUE:COUMESTROL
5kra[A2][a2][A2][a2][A2][a2]2.4
6WS:1-[2,2-BIS(CHLORANYL)-1-(4-CHLOROPHENYL)ETHENYL]-4-CHLORANYL-BENZENE
6WT:1-CHLORANYL-4-[2,2,2-TRIS(CHLORANYL)-1-(4-CHLOROPHENYL)ETHYL]BENZENE
5krc[A2][a2][A2][a2][A2][a2]2.4
ZER:(3S,11E)-14,16-DIHYDROXY-3-METHYL-3,4,5,6,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE
5krf[A2][a2][A2][a2][A2][a2]2.19
6WL:4-[1-METHYL-7-(TRIFLUOROMETHYL)INDAZOL-3-YL]BENZENE-1,3-DIOL
5krh[A2][a2][A2][a2][A2][a2]2.24
6WN:(8~{R},9~{S},13~{S},14~{S},16~{E})-13-METHYL-3-OXIDANYL-16-(PHENYLMETHYLIDENE)-6,7,8,9,11,12,14,15-OCTAHYDROCYCLOPENTA[A]PHENANTHREN-17-ONE
5kri[A2][a2][A2][a2][A2][a2]2.25
6WM:(8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-METHYL-16-(PHENYLMETHYL)-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA[A]PHENANTHRENE-3,17-DIOL
5krj[A2][a2][A2][a2][A2][a2]2.7
6WP:NAPHTHALEN-1-YL (1~{S},2~{R},4~{S})-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
5krk[A2][a2][A2][a2][A2][a2]2.39
6WQ:4-[(5-BROMANYL-2,3-DIHYDROINDEN-1-YLIDENE)-(4-HYDROXYPHENYL)METHYL]PHENOL
5krl[A2][a2][A2][a2][A2][a2]2.4
6WR:(1~{S},3~{A}~{R},7~{A}~{S})-5-(2-CHLORANYL-4-OXIDANYL-PHENYL)-2,3,3~{A},4,7,7~{A}-HEXAHYDRO-1~{H}-INDEN-1-OL
5krm[A2][a2][A2][a2][A2][a2]2.24
6WU:(1~{S},3~{A}~{R},7~{A}~{S})-5-[2,5-BIS(FLUORANYL)-4-OXIDANYL-PHENYL]-7~{A}-METHYL-1,2,3,3~{A},4,7-HEXAHYDROINDEN-1-OL
5kro[A2][a2][A2][a2][A2][a2]2.1
6WW:(8~{R},9~{S},13~{S},14~{S},17~{S})-13-METHYL-17-[METHYL(PHENYL)AMINO]-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA[A]PHENANTHREN-3-OL
5kya[AB][A2][A2]2.6
6Y4:[2-[(6~{R})-2-(3-METHYLSULFONYLPHENYL)-6-PROPAN-2-YL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-YL]-4-(TRIFLUOROMETHYL)PYRIMIDIN-5-YL]METHANOL
5kyj[AB][A2][A2]2.8
6Y8:(6~{R})-5-(5-FLUORANYL-2-METHOXY-PYRIMIDIN-4-YL)-2-(3-METHYLSULFONYLPHENYL)-6-PROPAN-2-YL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE
5l11[A][a][A][a][A][a]1.85
RJW:(1R,3AR,6AR)-5-HEXYL-4-PHENYL-3A-(1-PHENYLETHENYL)-1,2,3,3A,6,6A-HEXAHYDROPENTALEN-1-OL
5l7e[A][a][A][a][A][a]1.86
6Q0:~{N}-[[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)PHENYL]METHYL]BENZENESULFONAMIDE
EDO:1,2-ETHANEDIOL
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
NHE:2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
SO4:SULFATE ION
5l7g[A][a][A][a][A][a]2.01
6QE:~{N}-[[4-[5-[[2,3-BIS(FLUORANYL)PHENOXY]METHYL]-3-METHYL-1,2-OXAZOL-4-YL]PHENYL]METHYL]-1-METHYL-CYCLOPROPANE-1-SULFONAMIDE
EDO:1,2-ETHANEDIOL
5l7h[A][a][A][a][A][a]1.84
6QG:3-METHYL-5,8-DIOXA-17LAMBDA-THIA-4,18-DIAZATETRACYCLO[18.2.2.1,.0]PENTACOSA-1(22),2(6),3,9,11,13(25),20,23-OCTAENE-17,17-DIONE
NHE:2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
5lga[A2][a2][A2][a2][A2][a2]2.5
6VH:(1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{A}~{S},7~{A}~{R})-7~{A}-METHYL-1-[(6~{R})-1,1,1-TRIS(FLUORANYL)-10-METHYL-2,10-BIS(OXIDANYL)-2-(TRIFLUOROMETHYL)UNDECA-3,8-DIYN-6-YL]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5lsg[A][A][A]2
QZQ:BETULINIC ACID
5lwp[A][A][A]2.4
79U:4-[3-[2-CHLORANYL-6-(TRIFLUOROMETHYL)PHENOXY]-5-(DIMETHYLCARBAMOYL)INDAZOL-1-YL]BENZOIC ACID
5lyq[A2][a2][A2][a2][A2][a2]2.17
7BE:(2~{R})-6,6,9,9-TETRAMETHYLSPIRO[3,4,7,8-TETRAHYDROBENZO[G]CHROMENE-2,2___sq___-3,4-DIHYDROCHROMENE]-6___sq___-CARBOXYLIC ACID
5m24[A][A][A]1.69
9CR:(9CIS)-RETINOIC ACID
CL:CHLORIDE ION
LMU:DODECYL-ALPHA-D-MALTOSIDE
5m96[A][A][A]1.77
Q6Y:~{N}-[8-[[(3~{S})-4-CYCLOPENTYLCARBONYL-3-METHYL-PIPERAZIN-1-YL]METHYL]-7-METHYL-IMIDAZO[1,2-A]PYRIDIN-6-YL]-2-METHYL-PYRIMIDINE-5-CARBOXAMIDE
5mj5[A2][a2][A2][a2][A2][a2]1.9
7O0:(~{E})-3-[4-OXIDANYL-3-[3-(PHENYLMETHYL)PHENYL]PHENYL]PROP-2-ENOIC ACID
5mk4[A2][a2][A2][a2][A2][a2]2
CL:CHLORIDE ION
I5W:(~{E})-3-[3-(2-METHYL-5-PHENYL-PHENYL)-4-OXIDANYL-PHENYL]PROP-2-ENOIC ACID
5mkj[A2][a2][A2][a2][A2][a2]2.5
4CU:(~{E})-3-[4-OXIDANYL-3-(5-PROP-2-ENYL-2-PROPOXY-PHENYL)PHENYL]PROP-2-ENOIC ACID
5mku[A2][a2][A2][a2][A2][a2]1.78
J57:(~{E})-3-[4-OXIDANYL-3-(3-PROPAN-2-YLPHENYL)PHENYL]PROP-2-ENOIC ACID
5mmw[A2][a2][A2][a2][A2][a2]2.7
SJZ:(~{E})-3-[3-(2-METHYL-3-PHENYL-PHENYL)-4-OXIDANYL-PHENYL]PROP-2-ENOIC ACID
5mwp[A][A][A]1.82
ECV:2-[(3~{S})-7-FLUORANYL-4-[(3-OXIDANYLIDENE-4~{H}-1,4-BENZOXAZIN-6-YL)CARBONYL]-2,3-DIHYDRO-1,4-BENZOXAZIN-3-YL]-~{N}-METHYL-ETHANAMIDE
5mwy[A][A][A]1.75
YNU:EPLERENONE
5nfp[A][a][A][a][A][a]2.1
8W5:(1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-DIMETHYL-11-OXIDANYL-8-(2-OXIDANYLETHANOYL)-6-PROPYL-5,7-DIOXAPENTACYCLO[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]ICOSA-14,17-DIEN-16-ONE
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
5nft[A][a][A][a][A][a]2.3
8W8:2,2,2-TRIS(FLUORANYL)-~{N}-[(1~{R},2~{S})-1-[1-(4-FLUOROPHENYL)INDAZOL-5-YL]OXY-1-(3-METHOXYPHENYL)PROPAN-2-YL]ETHANAMIDE
EDO:1,2-ETHANEDIOL
5ni5[A][a][A][a][A][a]2.3
8YB:~{N}-[4-(3-CHLOROPHENYL)-5-(2-CHLOROPHENYL)CARBONYL-1,3-THIAZOL-2-YL]-2-(4-ETHYLSULFONYLPHENYL)ETHANAMIDE
NA:SODIUM ION
5ni7[A][a][A][a][A][a]2.45
8Y8:~{N}-[4-(5-CYANO-2-METHOXY-PHENYL)THIOPHEN-2-YL]-2-(4-ETHYLSULFONYLPHENYL)ETHANAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
5ni8[A][a][A][a][A][a]1.94
8Y2:2-(4-ETHYLSULFONYLPHENYL)-~{N}-[4-(2-PHENYLMETHOXYPYRIDIN-3-YL)THIOPHEN-2-YL]ETHANAMIDE
NA:SODIUM ION
5nib[A][a][A][a][A][a]1.82
8Y5:~{N}-[4-[2-[(3-CYANOPHENYL)METHOXY]PYRIDIN-3-YL]THIOPHEN-2-YL]-2-(4-ETHYLSULFONYLPHENYL)ETHANAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
5nky[A2][a2][A2][a2][A2][a2]2.1
91W:(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{A}~{S},7~{A}~{R})-7~{A}-METHYL-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-OXIDANYLPROPAN-2-YL)OXOLAN-2-YL]ETHYL]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5nma[A2][a2][A2][a2][A2][a2]2.8
9CW:(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{A}~{S},7~{A}~{R})-7~{A}-METHYL-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-OXIDANYLPROPAN-2-YL)OXOLAN-2-YL]ETHYL]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5nti[A][a][A][a][A][a]2.4
C3S:CHOLEST-5-EN-3-YL HYDROGEN SULFATE
5ntk[A][A][A]1.9
99N:[(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-DIMETHYL-17-[(2~{R})-5-[[4-(2-MORPHOLIN-4-YLETHOXY)PHENYL]METHYLAMINO]-5-OXIDANYLIDENE-PENTAN-2-YL]-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1~{H}-CYCLOPENTA[A]PHENANTHREN-3-YL] HYDROGEN SULFATE
5ntn[A][a][A][a][A][a]1.9
98H:(5R,10S,13R,14R,17R)-17-((R,E)-7-HYDROXY-6-METHYLHEPT-5-EN-2-YL)-4,4,10,13,14-PENTAMETHYL-1,2,5,6,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[A]PHENANTHRENE-3,7(4H)-DIONE
5ntp[A][A][A]1.7
98E:(S)-N-(5-CHLORO-3-((4-(CYCLOPENTANECARBONYL)-3-METHYLPIPERAZIN-1-YL)METHYL)-2-METHYLPHENYL)-2-METHYLPYRIMIDINE-5-CARBOXAMIDE
5ntq[A][A][A]2.26
444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
5ntw[A][a][A][a][A][a]1.64
98N:(S)-N-((5-(ETHYLSULFONYL)PYRIDIN-2-YL)METHYL)-7-ISOPROPYL-6-(((1R,4S)-4-(TRIFLUOROMETHYL)CYCLOHEXYL)METHYL)-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDINE-3-CARBOXAMIDE
5nu1[A][a][A][a][A][a]1.85
8YB:~{N}-[4-(3-CHLOROPHENYL)-5-(2-CHLOROPHENYL)CARBONYL-1,3-THIAZOL-2-YL]-2-(4-ETHYLSULFONYLPHENYL)ETHANAMIDE
5ow7[A2][a2][A2][a2][A2][a2]2.1
AYK:(3~{S})-3-[(1~{S},3~{A}~{S},4~{E},7~{A}~{S})-7~{A}-METHYL-4-[(2~{Z})-2-[(5~{S})-2-METHYLIDENE-5-OXIDANYL-CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-1-YL]-3-OXIDANYL-~{N}-PROPAN-2-YL-BUTANAMIDE
5ow9[A2][a2][A2][a2][A2][a2]2.4
AYT:(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{A}~{S},7~{A}~{S})-7~{A}-METHYL-1-[(2~{S})-6-METHYL-2-OXIDANYL-HEPTAN-2-YL]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL
5owd[A2][a2][A2][a2][A2][a2]2.15
B0B:(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{A}~{S},7~{A}~{S})-7~{A}-METHYL-1-[(2~{S})-6-METHYL-2-OXIDANYL-HEPT-5-EN-2-YL]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL
5q0i[A][a][A][a][A][a]1.7
0X0:2-[(3,4-DIMETHOXYPHENYL)-(4-METHYLPHENYL)SULFONYL-AMINO]-N-(2,4-DIMETHYLPENTAN-3-YL)ETHANAMIDE
5q0j[A][a][A][a][A][a]2
9KV:(2S)-N,2-DICYCLOHEXYL-2-[2-(5-PHENYLTHIOPHEN-2-YL)-1H-BENZIMIDAZOL-1-YL]ACETAMIDE
5q0k[A][a][A][a][A][a]1.8
5q0l[A][a][A][a][A][a]2.5
9KY:(2S)-N,2-DICYCLOHEXYL-2-{2-[4-(HYDROXYMETHYL)PHENYL]-1H-BENZIMIDAZOL-1-YL}ACETAMIDE
MSE:SELENOMETHIONINE
5q0m[A][a][A][a][A][a]2.2
9L1:5-{[(3BETA,5BETA,14BETA,17ALPHA)-3-HYDROXY-24-OXOCHOLAN-24-YL]AMINO}BENZENE-1,3-DICARBOXYLIC ACID
5q0n[A][a][A][a][A][a]2.4
9L4:3-CHLORO-4-({(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYLACETYL}AMINO)BENZOICACID
5q0o[A][a][A][a][A][a]1.9
9L7:(2S)-2-{2-[4-(BENZENECARBONYL)PHENYL]-1H-BENZIMIDAZOL-1-YL}-N,2-DICYCLOHEXYLACETAMIDE
CL:CHLORIDE ION
5q0p[A][a][A][a][A][a]1.8
9LA:4-{(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYLETHOXY}BENZOIC ACID
5q0q[A][a][A][a][A][a]2.6
9LD:ETHYL 4-({2-PHENYL-5-[(THIOPHEN-2-YL)SULFONYL]-4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE-3-CARBONYL}AMINO)BENZOATE
5q0r[A][a][A][a][A][a]1.91
9LG:N,1-DIBENZYL-6-[(2-FLUOROPHENYL)SULFONYL]-4,5,6,7-TETRAHYDRO-1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXAMIDE
5q0s[A][a][A][a][A][a]2.5
9LJ:(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-N-(2-CYANOPHENYL)-2-CYCLOHEXYLACETAMIDE
5q0t[A][a][A][a][A][a]2.14
9LM:2-PHENYL-N-(PROPAN-2-YL)-6-[(THIOPHEN-2-YL)SULFONYL]-4,5,6,7-TETRAHYDRO-1H-PYRROLO[2,3-C]PYRIDINE-1-CARBOXAMIDE
5q0u[A][a][A][a][A][a]1.9
9LP:TRANS-4-({(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYLACETYL}AMINO)CYCLOHEXYLHYDROGEN SULFATE
5q0v[A][a][A][a][A][a]1.87
9LS:(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYL-N-(2-FLUOROPHENYL)ACETAMIDE
5q0w[A][a][A][a][A][a]1.9
9LV:4-({5-BROMO-1___sq___-[(2-CHLOROPHENYL)SULFONYL]-2-OXOSPIRO[INDOLE-3,4___sq___-PIPERIDIN]-1(2H)-YL}METHYL)BENZOIC ACID
5q0x[A][a][A][a][A][a]2.26
643:6-(4-{[3-(3,5-DICHLOROPYRIDIN-4-YL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}-2-METHYLPHENYL)-1-METHYL-1H-INDOLE-3-CARBOX YLIC ACID
5q0y[A][a][A][a][A][a]2.2
9LY:(2S)-N,2-DICYCLOHEXYL-2-{5,6-DIFLUORO-2-[6-(1H-PYRAZOL-1-YL)PYRIDIN-3-YL]-1H-BENZIMIDAZOL-1-YL}ACETAMIDE
5q0z[A][a][A][a][A][a]2.26
9M1:ETHYL (5S)-3-(3,4-DIFLUOROBENZENE-1-CARBONYL)-1,1-DIMETHYL-1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
5q10[A][a][A][a][A][a]2.2
9M4:N-[3-(ACETYLAMINO)PHENYL]-4-CHLORO-N-[(1S)-1-CYCLOHEXYL-2-(CYCLOHEXYLAMINO)-2-OXOETHYL]BENZAMIDE
5q11[A][a][A][a][A][a]2.2
9M7:N,N-DICYCLOHEXYL-3-(2,4-DICHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-CARBOXAMIDE
5q12[A][a][A][a][A][a]2
9MA:2-(2,6-DIFLUOROPHENYL)-N-(2,6-DIMETHYLPHENYL)-5-METHYLIMIDAZO[1,2-A]PYRIDIN-3-AMINE
5q13[A][a][A][a][A][a]1.9
9MD:(2S)-2-[6-CHLORO-2-(4-CHLOROPHENYL)-5-FLUORO-1H-BENZIMIDAZOL-1-YL]-N-CYCLOHEXYL-2-[(2S)-OXAN-2-YL]ACETAMIDE
5q14[A][a][A][a][A][a]1.85
9MM:4-{(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYLETHOXY}-3-FLUOROBENZOICACID
5q15[A][a][A][a][A][a]1.9
9MP:(2S)-N,2-DICYCLOHEXYL-2-{5,6-DIFLUORO-2-[(R)-METHOXY(PHENYL)METHYL]-1H-BENZIMIDAZOL-1-YL}ACETAMIDE
5q16[A][a][A][a][A][a]2
9MS:(2S)-2-{2-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-1-YL}-N,2-DICYCLOHEXYLACETAMIDE
5q17[A][a][A][a][A][a]2.1
9MV:4-({5-BROMO-2-OXO-1___sq___-[(THIOPHEN-2-YL)SULFONYL]SPIRO[INDOLE-3,4___sq___-PIPERIDIN]-1(2H)-YL}METHYL)BENZOIC ACID
5q18[A][a][A][a][A][a]1.9
9MY:(2S)-2-CYCLOHEXYL-2-{5,6-DIFLUORO-2-[(R)-METHOXY(PHENYL)METHYL]-1H-BENZIMIDAZOL-1-YL}-N-(TRANS-4-HYDROXYCYCLOHEXYL)ACETAMIDE
5q19[A][a][A][a][A][a]1.98
9N1:(2S)-N,2-DICYCLOHEXYL-2-[2-(2,4-DIMETHOXYPHENYL)-1H-BENZIMIDAZOL-1-YL]ACETAMIDE
5q1a[A][a][A][a][A][a]2
9N4:(2S)-2-CYCLOHEXYL-2-[2-(2,4-DIMETHOXYPHENYL)-1H-BENZIMIDAZOL-1-YL]-N-(2,6-DIMETHYLPHENYL)ACETAMIDE
5q1b[A][a][A][a][A][a]2.3
9N7:4-{[(2S)-2-CYCLOHEXYL-2-{5,6-DIFLUORO-2-[4-(1,3-THIAZOL-2-YL)PHENYL]-1H-BENZIMIDAZOL-1-YL}ACETYL]AMINO}BENZOIC ACID
5q1c[A][a][A][a][A][a]2.3
9NA:(2S)-2-CYCLOHEXYL-2-[2-(2,6-DIMETHOXYPYRIDIN-3-YL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-N-(TRANS-4-HYDROXYCYCLOHEXYL)ACETAMIDE
5q1d[A][a][A][a][A][a]1.89
9ND:(2S)-2-[2-(4-CHLOROPHENYL)-5,6-DIFLUORO-1H-BENZIMIDAZOL-1-YL]-2-CYCLOHEXYL-N-PHENYLACETAMIDE
5q1e[A][a][A][a][A][a]1.85
9NG:N-{2-[(3R)-5-BROMO-2-OXO-1-{[4-(1H-TETRAZOL-5-YL)PHENYL]METHYL}-2,3-DIHYDRO-1H-INDOL-3-YL]ETHYL}-N-ETHYLTHIOPHENE-2-SULFONAMIDE
5q1f[A][a][A][a][A][a]2.3
9NJ:TRANS-4-({(2S)-2-CYCLOHEXYL-2-[2-(2,6-DIMETHOXYPYRIDIN-3-YL)-5-FLUORO-1H-BENZIMIDAZOL-1-YL]ACETYL}AMINO)CYCLOHEXANE-1-CARBOXYLIC ACID
5q1g[A][a][A][a][A][a]2
9NM:(2E)-N-CYCLOHEXYL-N-(CYCLOHEXYLCARBAMOYL)-3-(4-FLUOROPHENYL)PROP-2-ENAMIDE
5q1h[A][a][A][a][A][a]2.2
9NP:(2S)-N,2-DICYCLOHEXYL-2-{2-[4-(1H-TETRAZOL-5-YL)PHENYL]-1H-BENZIMIDAZOL-1-YL}ACETAMIDE
5q1i[A][a][A][a][A][a]1.95
9O1:3-(2-CHLOROPHENYL)-N-[(1R)-1-(NAPHTHALEN-2-YL)ETHYL]-5-(PROPAN-2-YL)-1,2-OXAZOLE-4-CARBOXAMIDE
5syz[A][a][A][a][A][a]1.93
71W:(1S,3AR,6AR)-5-HEXYL-4-PHENYL-3A-(1-PHENYLETHENYL)-1,2,3,3A,6,6A-HEXAHYDROPENTALEN-1-OL
5t1z[A2][a2][A2][a2][A2][a2]2.1
Q97:4,4___sq___-[(1Z)-1-(4-ETHOXYPHENYL)BUT-1-ENE-1,2-DIYL]DIPHENOL
5t8e[A][A][A]2.71
77U:2-CHLORO-4-[(2S,3S)-3-HYDROXY-2-METHYLPYRROLIDIN-1-YL]-3-METHYLBENZONITRILE
GOL:GLYCEROL
5t8j[A][A][A]2.7
77T:2-FLUORO-4-[(2S,3S)-3-HYDROXY-2,3-DIMETHYLPYRROLIDIN-1-YL]-3-METHYLBENZONITRILE
GOL:GLYCEROL
5t92[A2][A2][A2]2.22
77W:(2E)-3-{4-[(1R)-2-(4-FLUOROPHENYL)-6-HYDROXY-1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]PHENYL}PROP-2-ENOICACID
5t97[A2][A2][A2]3
782:(2E)-3-(4-{(1R)-6-HYDROXY-1-METHYL-2-[4-(PROPAN-2-YL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}PHENYL)PROP-2-ENOIC ACID
5tbp[A4][A4][A4]2.6
7A4:[(1Z)-5-FLUORO-2-METHYL-1-{[4-(PROPAN-2-YL)PHENYL]METHYLIDENE}-1H-INDEN-3-YL]ACETIC ACID
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
5tld[A2][a2][A2][a2][A2][a2]2.38
6WV:(8~{R},9~{S},13~{S},14~{S},17~{S})-13-METHYL-17-PHENYLAZANYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA[A]PHENANTHREN-3-OL
5tlf[A2][a2][A2][a2][A2][a2]2.2
7EF:4-[2-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL
5tlg[A2][a2][A2][a2][A2][a2]2.23
7EG:2~3~-[(E)-(HYDROXYIMINO)METHYL][1~1~,2~1~:2~2~,3~1~-TERPHENYL]-1~4~,2~4~,3~4~-TRIOL
5tll[A2][a2][A2][a2][A2][a2]2.42
7EL:2-CHLORO-4-[(E)-(HYDROXYIMINO)METHYL][1,1___sq___-BIPHENYL]-3,4___sq___-DIOL
5tlm[A2][a2][A2][a2][A2][a2]2.5
7EM:4,4___sq___,4___sq______sq___-(THIENE-2,3,5-TRIYL)TRIPHENOL
5tlo[A2][a2][A2][a2][A2][a2]2.28
7EE:(14BETA,17ALPHA)-21-(4-AMINOPHENYL)-19-NORPREGNA-1(10),2,4-TRIEN-20-YNE-3,17-DIOL
5tlp[A2][a2][A2][a2][A2][a2]2.08
7EH:3-METHYL-6-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-AMINE
7ET:3-FLUOROPHENYL (1S,2R,4S)-5-(4-HYDROXYPHENYL)-6-{4-[2-(PIPERIDIN-1-YL)ETHOXY]PHENYL}-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
5tlt[A2][a2][A2][a2][A2][a2]1.9
7ED:8-{[2,3-BIS(4-HYDROXYPHENYL)PENTANOYL]OXY}OCTYL (2R,3S)-2,3-BIS(4-HYDROXYPHENYL)PENTANOATE
5tlu[A2][a2][A2][a2][A2][a2]2.22
7EE:(14BETA,17ALPHA)-21-(4-AMINOPHENYL)-19-NORPREGNA-1(10),2,4-TRIEN-20-YNE-3,17-DIOL
5tlv[A2][a2][A2][a2][A2][a2]2.32
7ES:4,4___sq___-(THIENE-2,3-DIYL)BIS(3-FLUOROPHENOL)
5tlx[A2][a2][A2][a2][A2][a2]2.1
7EH:3-METHYL-6-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-AMINE
7G5:3,4-BIS(4-HYDROXYPHENYL)-2,5-DIHYDRO-1H-1LAMBDA~6~-THIOPHENE-1,1-DIONE
5tly[A2][a2][A2][a2][A2][a2]2.14
7ER:3,4-BIS(2-FLUORO-4-HYDROXYPHENYL)-1H-1LAMBDA~6~-THIOPHENE-1,1-DIONE
5tm1[A2][a2][A2][a2][A2][a2]2.23
7EQ:2,5-BIS(2-FLUORO-4-HYDROXYPHENYL)-1H-1LAMBDA~4~-THIOPHEN-1-ONE
5tm2[A2][a2][A2][a2][A2][a2]2.6
7EO:2,5-BIS(2-CHLORO-4-HYDROXYPHENYL)-1H-1LAMBDA~4~-THIOPHEN-1-ONE
5tm3[A2][a2][A2][a2][A2][a2]2.19
7EN:(1S)-2,3-BIS(2-CHLORO-4-HYDROXYPHENYL)-1H-1LAMBDA~4~-THIOPHEN-1-ONE
5tm4[A2][a2][A2][a2][A2][a2]2.25
7E3:5-{4-[(1S,4S,6R)-6-[(3-CHLOROPHENOXY)SULFONYL]-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL]PHENOXY}PENTANOIC ACID
5tm5[A2][a2][A2][a2][A2][a2]2.24
7EV:5-{4-[(1S,4S,5R)-5-[(4-BROMOPHENOXY)SULFONYL]-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL]PHENOXY}PENTANOIC ACID
5tm6[A2][a2][A2][a2][A2][a2]2.54
7J9:6-{4-[(1S,4S,6R)-6-[(4-BROMOPHENOXY)SULFONYL]-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL]PHENOXY}HEXANOIC ACID
5tm7[A2][a2][A2][a2][A2][a2]2.4
7JY:7-{4-[(1S,4S,6R)-6-[(3-CHLOROPHENOXY)SULFONYL]-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL]PHENOXY}HEPTANOIC ACID
5tm8[A2][a2][A2][a2][A2][a2]1.99
7K6:7-{4-[(1S,4S,6R)-6-[(4-BROMOPHENOXY)SULFONYL]-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL]PHENOXY}HEPTANOIC ACID
5tm9[A2][a2][A2][a2][A2][a2]2.5
7KL:3-{4-[(1S,4S,6R)-6-[(3-CHLOROPHENOXY)SULFONYL]-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL]PHENYL}PROP-2-ENOIC ACID
5tml[A2][a2][A2][a2][A2][a2]2.25
7E1:6-{4-[(1S,4S,6R)-6-[(3-CHLOROPHENOXY)SULFONYL]-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL]PHENYL}HEX-5-ENOIC ACID
5tmm[A2][a2][A2][a2][A2][a2]2.2
7M4:6-{4-[(1S,4S,6S)-6-[(4-BROMOPHENOXY)SULFONYL]-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL]PHENYL}HEX-5-ENOIC ACID
5tmo[A2][a2][A2][a2][A2][a2]2.17
7M1:PHENYL 4,4___sq______sq___-DIHYDROXY-[1,1___sq___:2___sq___,1___sq______sq___-TERPHENYL]-4___sq___-SULFONATE
5tmq[A2][a2][A2][a2][A2][a2]2.24
7M7:4-BROMOPHENYL 4,4___sq______sq___-DIHYDROXY-[1,1___sq___:2___sq___,1___sq______sq___-TERPHENYL]-4___sq___-SULFONATE
5tmr[A2][a2][A2][a2][A2][a2]2.3
7FD:ETHYL 3-{4-[CYCLOHEXYLIDENE(4-HYDROXYPHENYL)METHYL]PHENYL}PROP-2-ENOATE
5tms[A2][a2][A2][a2][A2][a2]2.24
7FG:ETHYL 3-(4-{[(1S,5S)-BICYCLO[3.3.1]NONAN-9-YLIDENE](4-HYDROXYPHENYL)METHYL}PHENYL)PROP-2-ENOATE
5tmt[A2][a2][A2][a2][A2][a2]2.05
7FJ:4,4___sq___-[(1,3-DIHYDRO-2H-INDEN-2-YLIDENE)METHYLENE]DIPHENOL
5tmu[A2][a2][A2][a2][A2][a2]2.43
7FL:4,4___sq___-(CYCLOHEPTYLIDENEMETHYLENE)DIPHENOL
5tmv[A2][a2][A2][a2][A2][a2]2.38
7FO:4-IODOPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
5tmw[A2][a2][A2][a2][A2][a2]2.29
7FP:4-(ACETYLAMINO)PHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
5tmz[A2][a2][A2][a2][A2][a2]2.21
7FQ:(9BETA,13ALPHA,14BETA,16ALPHA,17ALPHA)-16-[(4-METHOXYPHENYL)METHYL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
5tn1[A2][a2][A2][a2][A2][a2]2.06
7FR:(9BETA,13ALPHA,17Z)-17-{[4-(PROPAN-2-YL)PHENYL]IMINO}ESTRA-1,3,5(10)-TRIEN-3-OL
5tn3[A2][a2][A2][a2][A2][a2]2.54
7FS:(9BETA,13ALPHA,17BETA)-17-{[4-(PROPAN-2-YL)PHENYL]AMINO}ESTRA-1(10),2,4-TRIEN-3-OL
5tn4[A2][a2][A2][a2][A2][a2]1.86
7FZ:(1S)-5-(4-HYDROXY-3,5-DIMETHYLPHENYL)-2,3-DIHYDRO-1H-INDEN-1-OL
5tn5[A2][a2][A2][a2][A2][a2]1.89
7G0:(1S,3AS,5S,7AS)-5-(4-HYDROXYPHENYL)-7A-METHYLOCTAHYDRO-1H-INDEN-1-OL
5tn6[A2][a2][A2][a2][A2][a2]2.09
7G1:(1S,1___sq___S,3A___sq___S,7A___sq___S)-7A___sq___-METHYL-1___sq___,2,2___sq___,3,3___sq___,3A___sq___,4___sq___,6___sq___,7___sq___,7A___sq___-DECAHYDRO-1,5___sq___-SPIROBI[INDENE]-1___sq___,5-DIOL
5tn7[A2][a2][A2][a2][A2][a2]2.24
7G2:3-FLUORO-3___sq___-[(E)-(HYDROXYIMINO)METHYL][1,1___sq___-BIPHENYL]-4,4___sq___-DIOL
5tn8[A2][a2][A2][a2][A2][a2]2.65
7G3:3-[(Z)-(HYDROXYIMINO)METHYL][1,1___sq___-BIPHENYL]-4,4___sq___-DIOL
5tn9[A2][A2][A2]2.25
7EC:4-BROMOPHENYL (1S,2R,4S)-5-(4-HYDROXYPHENYL)-6-{4-[2-(PIPERIDIN-1-YL)ETHOXY]PHENYL}-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
5tnb[A2][A2][A2]2.08
7EB:4-BROMOPHENYL (1S,2R,4S)-6-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
5toa[A2][A2][A2]2.5
EST:ESTRADIOL
5tto[A2][A2][A2]2.25
7KK:4-BROMO-N-{3,5-DICHLORO-4-[(QUINOLIN-3-YL)OXY]PHENYL}-2,5-DIFLUOROBENZENE-1-SULFONAMIDE
5two[A][a][A][a][A][a]1.93
7MV:N-BENZYL-1-[(4-CHLORO-3-FLUOROPHENYL)METHYL]-1H-INDOLE-5-CARBOXAMIDE
5u2b[A2][A2][A2]2.22
6WV:(8~{R},9~{S},13~{S},14~{S},17~{S})-13-METHYL-17-PHENYLAZANYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA[A]PHENANTHREN-3-OL
5u2d[A2][a2][A2][a2][A2][a2]1.86
OBH:CYCLOHEXA-2,5-DIEN-1-YL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
5u3q[A][A][A]1.5
7UJ:6-(2-{[([1,1___sq___-BIPHENYL]-4-CARBONYL)(PROPAN-2-YL)AMINO]METHYL}PHENOXY)HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
CL:CHLORIDE ION
K:POTASSIUM ION
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u3r[A][A][A]1.95
7V1:6-[2-({[4-(FURAN-2-YL)BENZENE-1-CARBONYL](PROPAN-2-YL)AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u3s[A][A][A]2
7V4:6-[2-({[4-(FURAN-3-YL)BENZENE-1-CARBONYL](PROPAN-2-YL)AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
K:POTASSIUM ION
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u3t[A][A][A]1.7
7UY:6-[2-({(PROPAN-2-YL)[4-(THIOPHEN-3-YL)BENZENE-1-CARBONYL]AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
PGO:S-1,2-PROPANEDIOL
5u3u[A][A][A]2.1
7TV:6-[2-({CYCLOPENTYL[4-(FURAN-2-YL)BENZENE-1-CARBONYL]AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u3v[A][A][A]1.84
7TY:6-[2-({CYCLOPENTYL[4-(FURAN-3-YL)BENZENE-1-CARBONYL]AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u3w[A][A][A]1.8
7U1:6-(2-{[([1,1___sq___-BIPHENYL]-4-CARBONYL)(CYCLOPROPYL)AMINO]METHYL}PHENOXY)HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u3x[A][A][A]2.1
7U4:6-[2-({CYCLOPROPYL[4-(PYRIDIN-3-YL)BENZENE-1-CARBONYL]AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u3y[A][A][A]1.9
7U7:6-[2-({CYCLOPROPYL[4-(FURAN-2-YL)BENZENE-1-CARBONYL]AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u3z[A][A][A]1.72
7UA:6-[2-({CYCLOPROPYL[4-(FURAN-3-YL)BENZENE-1-CARBONYL]AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u40[A][A][A]2
7UD:6-[2-({BENZYL[4-(FURAN-3-YL)BENZENE-1-CARBONYL]AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u41[A][A][A]1.9
7UG:6-[2-({BENZYL[4-(THIOPHEN-3-YL)BENZENE-1-CARBONYL]AMINO}METHYL)PHENOXY]HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
K:POTASSIUM ION
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u42[A][A][A]1.7
7SM:6-(2-{[CYCLOPROPYL(3___sq___-METHOXY[1,1___sq___-BIPHENYL]-4-CARBONYL)AMINO]METHYL}PHENOXY)HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u43[A][A][A]1.9
7SS:6-(2-{[CYCLOPROPYL(4___sq___-METHOXY[1,1___sq___-BIPHENYL]-4-CARBONYL)AMINO]METHYL}PHENOXY)HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u44[A][A][A]2.15
7SV:6-(2-{[CYCLOPROPYL(2___sq___-FLUORO[1,1___sq___-BIPHENYL]-4-CARBONYL)AMINO]METHYL}PHENOXY)HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PGO:S-1,2-PROPANEDIOL
5u45[A][A][A]1.95
7SY:6-(2-{[CYCLOPROPYL(3___sq___-FLUORO[1,1___sq___-BIPHENYL]-4-CARBONYL)AMINO]METHYL}PHENOXY)HEXANOIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u46[A][A][A]2
7T1:{2-METHYL-4-[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}METHYL)SULFANYL]PHENOXY}ACETIC ACID
B7G:HEPTYL BETA-D-GLUCOPYRANOSIDE
PEG:DI(HYDROXYETHYL)ETHER
PGO:S-1,2-PROPANEDIOL
5u5l[A2][A2][A2]2.55
7VA:(5S)-5-({4-[(6-METHOXY-1-METHYL-1H-BENZIMIDAZOL-2-YL)METHOXY]PHENYL}METHYL)-1,3-THIAZOLIDINE-2,4-DIONE
5uan[AB][a2](AB)[AB][a2](AB)[AB][a2](AB)3.51
9CR:(9CIS)-RETINOIC ACID
REA:RETINOIC ACID
ZN:ZINC ION
5uc1[A2][A2][A2]2.35
486:11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
CL:CHLORIDE ION
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
EDO:1,2-ETHANEDIOL
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
5uc3[A4][A4][A4]2.01
486:11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
EDO:1,2-ETHANEDIOL
EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
5ufo[A][A][A]2.8
87J:(S)-{4-CHLORO-2-METHOXY-3-[4-(METHYLSULFONYL)PHENYL]QUINOLIN-6-YL}(1-METHYL-1H-IMIDAZOL-5-YL)[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANOL
5ufr[A][A][A]2.07
88J:(S)-[4-CHLORO-2-(DIMETHYLAMINO)-3-PHENYLQUINOLIN-6-YL](1-METHYL-1H-IMIDAZOL-5-YL)(PYRIDIN-4-YL)METHANOL
5ufs[A][a][A][a][A][a]2.12
1TA:TRIAMCINOLONE ACETONIDE
5ufw[A2][A2][A2]1.58
86V:(2S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-(4-{2-[(3S)-3-METHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-2H-1-BENZOPYRAN-7-OL
5ufx[A2][A2][A2]1.55
86Y:(2S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-(4-{2-[(3R)-3-METHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-2H-1-BENZOPYRAN-7-OL
5ugm[A][A][A]2.1
8A7:(5R)-5-({4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]-1-BENZOTHIOPHEN-7-YL}METHYL)-1,3-THIAZOLIDINE-2,4-DIONE
KNA:NONANOIC ACID
5uhi[A][A][A]3.2
8A4:(R)-(4-CHLORO-2-METHOXY-3-{[4-(1H-PYRAZOL-1-YL)PHENYL]METHYL}QUINOLIN-6-YL)(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHANOL
5unj[A][a][A][a][A][a]1.96
RJW:(1R,3AR,6AR)-5-HEXYL-4-PHENYL-3A-(1-PHENYLETHENYL)-1,2,3,3A,6,6A-HEXAHYDROPENTALEN-1-OL
5v39[A][A][A]2.2
8VM:5-(3-{4-[(2S)-2-HYDROXY-3,3-DIMETHYLBUTOXY]-3-METHYLPHENYL}PENTAN-3-YL)-3-METHYL-N-(1H-TETRAZOL-5-YL)THIOPHENE-2-CARBOXAMIDE
5v8q[A][A][A]1.44
97A:4-[(2S,3S)-2-ETHYL-3-HYDROXY-5-OXOPYRROLIDIN-1-YL]-2-(TRIFLUOROMETHYL)BENZONITRILE
GOL:GLYCEROL
5vb3[A][A][A]1.95
NA:SODIUM ION
5vb5[A][A][A]2.23
92A:N-[(2R)-3-(4-{[3-(4-CHLOROPHENYL)PROPANOYL]AMINO}PHENYL)-1-(4-METHYLPIPERIDIN-1-YL)-1-OXOPROPAN-2-YL]-4-METHYLPENTANAMIDE
NA:SODIUM ION
5vb6[A][A][A]2.04
927:N-{3-[(3-METHYLBUT-2-EN-1-YL){METHYL[TRANS-4-(PYRIDIN-4-YL)CYCLOHEXYL]CARBAMOYL}AMINO]PHENYL}BENZAMIDE
NA:SODIUM ION
5vb7[A][A][A]2.34
921:N-METHYL-N___sq___-(3-METHYLBUT-2-EN-1-YL)-N___sq___-(3-PHENOXYPHENYL)-N-[TRANS-4-(PYRIDIN-4-YL)CYCLOHEXYL]UREA
NA:SODIUM ION
5vo4[A][A][A]2.35
9FG:5-(2-FLUORO-4-HYDROXYPHENYL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
5vqk[A][A][A]3.1
9GV:1-(4-FLUOROPHENYL)-7-METHOXY-N-{[4-(METHYLSULFAMOYL)PHENYL]METHYL}-1H-PYRAZOLO[3,4-C]PYRIDINE-4-CARBOXAMIDE
5vql[A][A][A]2.7
9GS:5___sq___-(4-CYCLOPROPYL-6-METHOXYPYRIMIDIN-5-YL)-N-{[4-(ETHYLSULFONYL)PHENYL]METHYL}SPIRO[CYCLOPENTANE-1,3___sq___-PYRROLO[3,2-B]PYRIDINE]-1___sq___(2___sq___H)-CARBOXAMIDE
NA:SODIUM ION
5w4r[A2][A2][A2]3
9WD:1-{4-[(R)-(4-CHLORO-2-METHOXY-3-{[4-(1H-PYRAZOL-1-YL)PHENYL]METHYL}QUINOLIN-6-YL)(HYDROXY)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]PIPERIDIN-1-YL}ETHAN-1-ONE
5w4v[A2][A2][A2]2.65
9WA:(R)-(4-CHLORO-2-METHOXY-3-{[4-(1H-PYRAZOL-1-YL)PHENYL]METHYL}QUINOLIN-6-YL)(1-METHYL-1H-IMIDAZOL-5-YL)[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANOL
5w9c[A2][A2][A2]1.8
OHT:4-HYDROXYTAMOXIFEN
5w9d[A2][A2][A2]1.65
9XY:ENDOXIFEN
5wgd[A2][ab][A2][ab][A2][ab]1.8
ACE:ACETYL GROUP
EST:ESTRADIOL
NH2:AMINO GROUP
5wgq[A2][a2][A2][a2][A2][a2]2.3
ACE:ACETYL GROUP
EST:ESTRADIOL
MK8:2-METHYL-L-NORLEUCINE
NH2:AMINO GROUP
5wqx[A2][A2][A2]2.29
T65:2-[E-(E-2-OXIDANYLIDENEHEXADEC-5-ENYLIDENE)AMINO]ETHANOIC ACID
5wr0[A2][A2][A2]2.85
8Y0:(E)-N-[(3E)-2-OXO-16-(8-{6-[(TRIFLUOROACETYL)AMINO]HEXANOYL}-8,9-DIHYDRO-1H-DIBENZO[B,F][1,2,3]TRIAZOLO[4,5-D]AZOCIN-1-YL)HEXADEC-3-EN-1-YLIDENE]GLYCINE
5wr1[A2][A2][A2]2.34
8XO:2-[E-(E-16-AZIDO-2-OXIDANYLIDENE-HEXADEC-3-ENYLIDENE)AMINO]ETHANOIC ACID
5wzx[A][a][A][a][A][a]2.95
7VX:(4AR,6AR,6AS,6BS,8AS,9R,12AR,14BR)-2,2,6A,6B,9,12A-HEXAMETHYL-10-OXIDANYLIDENE-1,3,4,5,6,6A,7,8,8A,9,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID
BU3:(R,R)-2,3-BUTANEDIOL
5x0r[A2][a2][A2][a2][A2][a2]2.67
4WH:4-[(4-TERT-BUTYLPHENYL)SULFONYL]-1-(2,4-DIMETHOXY-5-METHYLPHENYL)-5-METHYL-1H-1,2,3-TRIAZOLE
5x8q[A][a][A][a][A][a]2.2
82R:(1R,2S,4S,5___sq___R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5___sq___,7,9,13-TETRAMETHYLSPIRO[5-OXAPENTACYCLO[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]ICOSANE-6,2___sq___-OXANE]-10,16-DIOL
5x8s[A2][A2][A2]2.2
6Q5:URSOLIC ACID
5x8u[A][a][A][a][A][a]2
5x8w[A][a][A][a][A][a]2.3
5x8x[A][a][A][a][A][a]2.6
82O:(3R,4R)-4-[4-CYCLOPROPYL-5-[3-(2-METHYLPROPYL)CYCLOBUTYL]-1,2,4-TRIAZOL-3-YL]-N-(2,4-DIMETHYLPHENYL)-1-ETHANOYL-PYRROLIDINE-3-CARBOXAMIDE
5xmx[A2][A2][A2]2
89L:(E)-6-[2-[[[4-(FURAN-2-YL)PHENYL]CARBONYL-METHYL-AMINO]METHYL]PHENOXY]-4-METHYL-HEX-4-ENOIC ACID
5xpl[A][a][A][a][A][a]2.05
8C9:(4~{S})-4-[(1~{R})-1-[(1~{R},3~{A}~{S},4~{E},7~{A}~{R})-7~{A}-METHYL-4-[2-[(3~{R},5~{R})-4-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-1-YL]ETHYL]-1-(4-HYDROXYPHENYL)OCTAN-1-ONE
5xpm[A][a][A][a][A][a]2.2
8C0:(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{A}~{S},7~{A}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-HYDROXYPHENYL)-3-METHOXY-PROPYL]HEPTAN-2-YL]-7~{A}-METHYL-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-2-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5xpn[A][a][A][a][A][a]1.96
8BO:(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{A}~{S},7~{A}~{R})-1-[(2~{R},6~{S})-6-(4-HYDROXYPHENYL)-6-METHOXY-HEXAN-2-YL]-7~{A}-METHYL-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-2-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
9RO:(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{A}~{S},7~{A}~{R})-1-[(2~{R},6~{R})-6-(4-HYDROXYPHENYL)-6-METHOXY-HEXAN-2-YL]-7~{A}-METHYL-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-2-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5xpo[A][a][A][a][A][a]2.28
8BL:(5~{R})-5-[(1~{R},3~{A}~{S},4~{E},7~{A}~{R})-7~{A}-METHYL-4-[2-[(3~{R},5~{R})-4-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-1-YL]-1-(4-HYDROXYPHENYL)HEXAN-1-ONE
5xpp[A][a][A][a][A][a]2.85
8BF:(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{A}~{S},7~{A}~{R})-1-[(2~{R},6~{R})-6-(4-HYDROXYPHENYL)-6-OXIDANYL-HEXAN-2-YL]-7~{A}-METHYL-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-4-YLIDENE]ETHYLIDENE]-2-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5xuq[A][a][A][a][A][a]2.8
8FF:(4~{S})-4-[(1~{R})-1-[(1~{R},3~{A}~{S},4~{E},7~{A}~{R})-7~{A}-METHYL-4-[2-[(3~{R},5~{R})-4-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3~{A},5,6,7-HEXAHYDRO-1~{H}-INDEN-1-YL]ETHYL]-1-(1~{H}-PYRROL-2-YL)OCTAN-1-ONE
5xzf[A][a][A][a][A][a]2.1
8J0:(1R,3S,5Z)-5-[(2E)-2-[(1R,3AS,7AR)-1-[(2R,6S)-6-(1-ADAMANTYL)-6-OXIDANYL-HEX-4-YN-2-YL]-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
FMT:FORMIC ACID
5xzh[A][a][A][a][A][a]2
8J3:(1R,3S,5Z)-5-[(2E)-2-[(1R,3AS,7AR)-1-[(2R,6R)-6-(1-ADAMANTYL)-6-OXIDANYL-HEX-4-YN-2-YL]-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL
5y1j[A][a][A][a][A][a]2
D5H:2-[[2-FLUORANYL-4-(3-METHOXYPHENYL)PHENYL]CARBAMOYL]CYCLOPENTENE-1-CARBOXYLIC ACID
5y2o[A2][A2][A2]1.8
8N6:(5S)-5-[[4-[2-(5-ETHYLPYRIDIN-2-YL)ETHOXY]PHENYL]METHYL]-1,3-THIAZOLIDINE-2,4-DIONE
5y2t[A2][A2][A2]1.7
8LX:(5S)-5-[[4-[2-[[6-(4-METHOXYPHENOXY)PYRIMIDIN-4-YL]-METHYL-AMINO]ETHOXY]PHENYL]METHYL]-1,3-THIAZOLIDINE-2,4-DIONE
5y41[A][A][A]2.05
CL:CHLORIDE ION
MG:MAGNESIUM ION
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
RPG:(13E,15S)-15-HYDROXY-9-OXOPROSTA-10,13-DIEN-1-OIC ACID
5y44[A][a][A][a][A][a]2.35
SO4:SULFATE ION
XD4:[(1R,2R,4R)-1,7,7-TRIMETHYL-2-BICYCLO[2.2.1]HEPTANYL]4-AZANYL-3-METHYL-BENZOATE
5y49[A][a][A][a][A][a]2.4
XD5:[(1R,2S,4S)-2-BICYCLO[2.2.1]HEPTANYL] 4-AZANYLBENZOATE
5y7x[A2][A2][A2]1.7
8RR:2-[2-METHYL-4-[[4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-SELENAZOL-5-YL]METHYLSULFANYL]PHENOXY]ETHANOICACID
CL:CHLORIDE ION
JZR:HEXYL BETA-D-GLUCOPYRANOSIDE
K:POTASSIUM ION
PGO:S-1,2-PROPANEDIOL
5ycn[A][a][A][a][A][a]2.15
8LX:(5S)-5-[[4-[2-[[6-(4-METHOXYPHENOXY)PYRIMIDIN-4-YL]-METHYL-AMINO]ETHOXY]PHENYL]METHYL]-1,3-THIAZOLIDINE-2,4-DIONE
5ycp[A][a][A][a][A][a]2
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
5yd6[A][A][A]2.34
8SU:(~{Z})-7-[(1~{R},5~{S})-2-OXIDANYLIDENE-5-[(~{E},3~{S})-3-OXIDANYLOCT-1-ENYL]CYCLOPENT-3-EN-1-YL]HEPT-5-ENOIC ACID
MG:MAGNESIUM ION
5yp5[A][a][A][a][A][a]2.65
4CZ:2-[4-(ETHYLSULFONYL)PHENYL]-N-{5-[2-(2-METHYLPROPYL)BENZOYL]-4-PHENYL-1,3-THIAZOL-2-YL}ACETAMIDE
5yp6[A][a][A][a][A][a]2.2
4CX:N-[3___sq___-CYANO-4___sq___-(2-METHYLPROPYL)-2-(TRIFLUOROMETHYL)BIPHENYL-4-YL]-2-[4-(ETHYLSULFONYL)PHENYL]ACETAMIDE
5yso[A][A][A]2.5
90C:4-[5-OXIDANYL-2-PHENYL-1-[4-(4-PROPAN-2-YLPIPERAZIN-1-YL)PHENYL]PENT-1-ENYL]PHENOL
5ysy[A][A][A]2
90L:(1R,2R,3R)-5-[(E)-2-[(1R,3AS,7AR)-7A-METHYL-1-[(2R)-6-METHYL-6-OXIDANYL-HEPTAN-2-YL]-1,2,3,3A,6,7-HEXAHYDROINDEN-4-YL]ETHENYL]-2-(3-OXIDANYLPROPYL)CYCLOHEX-4-ENE-1,3-DIOL
5yt2[A][A][A]2
90O:(1R,2S,3R)-5-[(E)-2-[(1R,3AS,7AR)-7A-METHYL-1-[(2R)-6-METHYL-6-OXIDANYL-HEPTAN-2-YL]-1,2,3,3A,6,7-HEXAHYDROINDEN-4-YL]ETHENYL]-2-(3-OXIDANYLPROPYL)CYCLOHEX-4-ENE-1,3-DIOL
5yxb[A][a][A][a][A][a]2.95
93O:2-METHOXYETHYL (2E)-3-PHENYLPROP-2-EN-1-YL 2,6-DIMETHYL-4-(3-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATE
5yxd[A][a][A][a][A][a]2.98
93R:ETHYL METHYL 4-(2,3-DICHLOROPHENYL)-2,6-DIMETHYLPYRIDINE-3,5-DICARBOXYLATE
5yxj[A][a][A][a][A][a]2.62
93U:2-[BENZYL(METHYL)AMINO]ETHYL METHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATE
5yxl[A][a][A][a][A][a]2.24
NIW:2-METHOXYETHYL PROPAN-2-YL 2,6-DIMETHYL-4-(3-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATE
5z12[AB][ab][AB][ab][AB][ab]2.75
33Y:1-METHYLETHYL 3-[(3,4-DIFLUOROPHENYL)CARBONYL]-1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
9CR:(9CIS)-RETINOIC ACID
5z5s[A][a][A][a][A][a]1.8
CL:CHLORIDE ION
RTE:3-{[6-(4-CHLORO-3-FLUOROPHENOXY)-1-METHYL-1H-BENZIMIDAZOL-2-YL]METHOXY}BENZOIC ACID
5z6s[A][a][A][a][A][a]1.8
CL:CHLORIDE ION
RTF:3-[[6-(3,5-DIMETHYLPYRIDIN-2-YL)OXY-1-METHYL-BENZIMIDAZOL-2-YL]METHOXY]BENZOIC ACID
5za1[A][A][A]2.52
9A0:2-[4-({[4-(ETHYLSULFONYL)PHENYL]ACETYL}AMINO)PHENYL]-2-METHYL-N-PHENYLPROPANAMIDE
DMF:DIMETHYLFORMAMIDE
EDO:1,2-ETHANEDIOL
5zqu[A4][A4][A4]2.6
9HF:1-(3,5,5,8,8-PENTAMETHYL-6,7-DIHYDRONAPHTHALEN-2-YL)BENZOTRIAZOLE-5-CARBOXYLIC ACID
BR:BROMIDE ION
5zwe[A][a][A][a][A][a]2.72
9K0:(6R)-6-[(1R,3AS,4E,7AR)-7A-METHYL-4-[2-[(3R,5R)-4-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-1-YL]HEPT-1-EN-3-ONE
5zwf[A][a][A][a][A][a]2.1
9KR:(E,7R)-7-[(1R,3AS,4E,7AR)-7A-METHYL-4-[2-[(3R,5R)-4-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-1-YL]OCT-2-EN-4-ONE
5zwh[A][a][A][a][A][a]2.38
9KX:(2S)-2-[(1R,3AS,4E,7AR)-7A-METHYL-4-[2-[(3R,5R)-4-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-1-YL]OCT-4,6-DIENE-3-ONE
9N9:(E,2S)-2-[(1R,3AS,4E,7AR)-7A-METHYL-4-[2-[(3R,5R)-4-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-1-YL]OCT-6-EN-4-YN-3-ONE
5zwi[A][a][A][a][A][a]2.4
9KX:(2S)-2-[(1R,3AS,4E,7AR)-7A-METHYL-4-[2-[(3R,5R)-4-METHYLIDENE-3,5-BIS(OXIDANYL)CYCLOHEXYLIDENE]ETHYLIDENE]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-1-YL]OCT-4,6-DIENE-3-ONE
5zxi[A2][A2][A2]2.1
9LU:6-[2-({2-[4-(FURAN-2-YL)PHENYL]-5-METHYL-1H-IMIDAZOL-1-YL}METHYL)PHENOXY]HEXANOIC ACID
6a22[A][a][A][a][A][a]2.55
9P6:2-[2-[1-~{TERT}-BUTYL-5-(4-METHOXYPHENYL)PYRAZOL-4-YL]-1,3-THIAZOL-4-YL]-~{N}-(OXAN-4-YLMETHYL)ETHANAMIDE
6a5w[A][a][A][a][A][a]2.88
9R0:2-[2-[[3-[2,6-BIS(CHLORANYL)PHENYL]-5-CYCLOPROPYL-1,2-OXAZOL-4-YL]METHOXY]-6-AZASPIRO[3.4]OCTAN-6-YL]-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
6a5x[A][a][A][a][A][a]2.6
9R3:2-[(1R,5S)-9-[[3-[2,6-BIS(CHLORANYL)PHENYL]-5-CYCLOPROPYL-1,2-OXAZOL-4-YL]METHOXY]-3-AZABICYCLO[3.3.1]NONAN-3-YL]-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
SO4:SULFATE ION
6a5y[AB][a2][AB][a2][AB][a2]2.1
9CR:(9CIS)-RETINOIC ACID
9R0:2-[2-[[3-[2,6-BIS(CHLORANYL)PHENYL]-5-CYCLOPROPYL-1,2-OXAZOL-4-YL]METHOXY]-6-AZASPIRO[3.4]OCTAN-6-YL]-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
PO4:PHOSPHATE ION
SO4:SULFATE ION
6a5z[AB][a2][AB][a2][AB][a2]2.95
9CR:(9CIS)-RETINOIC ACID
9R3:2-[(1R,5S)-9-[[3-[2,6-BIS(CHLORANYL)PHENYL]-5-CYCLOPROPYL-1,2-OXAZOL-4-YL]METHOXY]-3-AZABICYCLO[3.3.1]NONAN-3-YL]-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
6a60[AB][a2][AB][a2][AB][a2]3.05
064:3-[(E)-2-(2-CHLORO-4-{[3-(2,6-DICHLOROPHENYL)-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}PHENYL)ETHENYL]BENZOIC ACID
9CR:(9CIS)-RETINOIC ACID
6a6k[A][A][A]2.9
9S6:3-[(~{E})-5-OXIDANYL-2-PHENYL-1-[4-(4-PROPAN-2-YLPIPERAZIN-1-YL)PHENYL]PENT-1-ENYL]PHENOL
6ad9[A][a][A][a][A][a]2.2
KK4:3-[(1E)-1-{8-[(4-METHYL-2-PROPYL-1H-BENZIMIDAZOL-1-YL)METHYL]DIBENZO[B,E]OXEPIN-11(6H)-YLIDENE}ETHYL]-1,2,4-OXADIAZOL-5(4H)-ONE
6an1[A2][A2][A2]2.69
BKY:4-({2-[(1,3-DIOXO-1,3-DIHYDRO-2H-INDEN-2-YLIDENE)METHYL]PHENOXY}METHYL)BENZOIC ACID
6aug[A][A][A]2.73
BXG:2-CHLORO-N-(6-METHOXYQUINOLIN-4-YL)-5-NITROBENZAMIDE
KNA:NONANOIC ACID
6avi[A][A][A]2.29
GW9:2-CHLORO-5-NITRO-N-PHENYLBENZAMIDE
KNA:NONANOIC ACID
6b0f[A2][A2][A2]2.86
C6V:LSZ102
GOL:GLYCEROL
6b30[A][A][A]2.69
CFG:N-[(1R)-1-(4-METHOXYPHENYL)-2-OXO-2-{[4-(TRIMETHYLSILYL)PHENYL]AMINO}ETHYL]-N-METHYL-3-OXO-2,3-DIHYDRO-1,2-OXAZOLE-5-CARBOXAMIDE
6b31[A][A][A]3.18
CFJ:(3S)-N~1~-(3-CHLORO-4-CYANOPHENYL)-N~5~-(1,3-DIETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL)-3-METHYLPENTANEDIAMIDE
6b33[A][A][A]2.48
CF7:(2R)-N~2~-(3-CHLORO-4-CYANOPHENYL)-N~4~-[3-(CYCLOPROPYLMETHYL)-2,4-DIOXO-1-(PROPAN-2-YL)-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL]MORPHOLINE-2,4-DICARBOXAMIDE
6bn6[A][A][A]2.4
SO4:SULFATE ION
XGH:2-[(2S)-4-[(4-FLUOROPHENYL)SULFONYL]-7-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL]-N-(2-HYDROXY-2-METHYLPROPYL)ACETAMIDE
6bns[A2][A2][A2]2.56
XGH:2-[(2S)-4-[(4-FLUOROPHENYL)SULFONYL]-7-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL]-N-(2-HYDROXY-2-METHYLPROPYL)ACETAMIDE
6br2[A][A][A]3.18
E3S:(1R)-N-(4-TERT-BUTYL-3-FLUOROPHENYL)-6-METHOXY-2-[(3-OXO-2,3-DIHYDRO-1,2-OXAZOL-5-YL)ACETYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
6br3[A][A][A]3
E3V:{CIS-3-[(5R)-5-[(7-FLUORO-1,1-DIMETHYL-1H-INDEN-5-YL)CARBAMOYL]-2-METHOXY-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBONYL]CYCLOBUTYL}ACETIC ACID
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
6c1i[A2][A2][A2]2.26
EEY:2-CHLORO-5-NITRO-N-(PYRIDIN-4-YL)BENZAMIDE
KNA:NONANOIC ACID
6c42[A2][A2][A2]2
85M:(2R,3S,4R)-3-(4-HYDROXYPHENYL)-4-METHYL-2-{4-[2-(PYRROLIDIN-1-YL)ETHOXY]PHENYL}-3,4-DIHYDRO-2H-1-BENZOPYRAN-7-OL
6c5q[A][A][A]2.4
CSO:S-HYDROXYCYSTEINE
EKS:2-{3-[(5-{[(1S)-1-(4-TERT-BUTYLPHENYL)ETHYL]CARBAMOYL}-2,3-DIMETHYL-1H-INDOL-1-YL)METHYL]PHENOXY}-2-METHYLPROPANOIC ACID
6c5t[A][A][A]2.75
CSO:S-HYDROXYCYSTEINE
EKP:2-{4-[(5-{[(1R)-1-(3-CYCLOPROPYLPHENYL)ETHYL]CARBAMOYL}-2,3-DIMETHYL-1H-INDOL-1-YL)METHYL]PHENYL}-2-METHYLPROPANOIC ACID
6cbz[AB][a2][A2][a2][A2][a2]1.65
EST:ESTRADIOL
GOL:GLYCEROL
SCH:S-METHYL-THIO-CYSTEINE
6cht[A8][a2][A8][a2][A8][a2]3.17
DAO:LAURIC ACID
6chw[A2][A2][A2]1.89
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
F3D:4-[(2-{4-[(1E)-1-(1H-INDAZOL-5-YL)-2-PHENYLBUT-1-EN-1-YL]PHENOXY}ETHYL)AMINO]-N,N-DIMETHYLBUTANAMIDE
6chz[A2][A2][A2]1.68
EDO:1,2-ETHANEDIOL
F3D:4-[(2-{4-[(1E)-1-(1H-INDAZOL-5-YL)-2-PHENYLBUT-1-EN-1-YL]PHENOXY}ETHYL)AMINO]-N,N-DIMETHYLBUTANAMIDE
6cn5[A][A][A]2.3
F7M:4-CYANO-N-{3-[1-(CYCLOHEXANECARBONYL)PIPERIDIN-4-YL]-1-METHYL-1H-INDOL-5-YL}PYRIDINE-2-CARBOXAMIDE
6cn6[A][A][A]2.45
F7J:3-CYANO-N-{3-[1-(CYCLOPENTANECARBONYL)PIPERIDIN-4-YL]-1,4-DIMETHYL-1H-INDOL-5-YL}BENZAMIDE
6cvh[A][A][A]3.5
FJG:TRANS-3-({4-(CYCLOHEXYLMETHYL)-5-[3-(1-METHYLCYCLOPROPYL)-5-{[(2R)-1,1,1-TRIFLUOROPROPAN-2-YL]CARBAMOYL}PHENYL]-1,3-THIAZOLE-2-CARBONYL}AMINO)CYCLOBUTANE-1-CARBOXYLIC ACID
6czn[A2][a2][A2][a2][A2][a2]2.5
FNJ:4,4___sq___-[(1R,2R)-1-PHENYLBUTANE-1,2-DIYL]DIPHENOL
6d0f[A2][a2][A2][a2][A2][a2]2.5
FYS:4,4___sq___,4___sq______sq___-[(2R)-BUTANE-1,1,2-TRIYL]TRIPHENOL
6d3e[A2][A2][A2]2.4
FT7:1-[(2,4-DIFLUOROPHENYL)METHYL]-2,3-DIMETHYL-N-[(1R)-1-PHENYLPROPYL]-1H-INDOLE-5-CARBOXAMIDE
6d8x[A][A][A]1.9
EDK:(2~{S})-3-[4-[2-[METHYL(PYRIDIN-2-YL)AMINO]ETHOXY]PHENYL]-2-[[2-(PHENYLCARBONYL)PHENYL]AMINO]PROPANOIC ACID
FLC:CITRATE ANION
GOL:GLYCEROL
NA:SODIUM ION
6d94[A][a][A][a][A][a]1.9
EDK:(2~{S})-3-[4-[2-[METHYL(PYRIDIN-2-YL)AMINO]ETHOXY]PHENYL]-2-[[2-(PHENYLCARBONYL)PHENYL]AMINO]PROPANOIC ACID
6dbh[A][A][A]2.6
CL:CHLORIDE ION
G3S:4-{2-[(2,3-DIOXO-1-PENTYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFANYL]ETHYL}BENZOIC ACID
6dcu[A][A][A]2.95
NZA:5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
6dda[A][A][A]3.2
BR:BROMIDE ION
G7J:5-HYDROXY-1,2-DIHYDRO-6H-INDOL-6-ONE
K:POTASSIUM ION
OCS:CYSTEINESULFONIC ACID
6df6[A2][A2][A2]2.5
G8Y:(8R)-8-(4-{2-[3-(FLUOROMETHYL)AZETIDIN-1-YL]ETHOXY}PHENYL)-1,8-DIHYDRO-2H-[1]BENZOPYRANO[4,3-D][1]BENZOXEPINE-5,11-DIOL
GOL:GLYCEROL
6dfn[A2][A2][A2]2.1
G91:(8S)-8-(4-{2-[3-(FLUOROMETHYL)AZETIDIN-1-YL]ETHOXY}PHENYL)-1,8-DIHYDRO-2H-[1]BENZOPYRANO[4,3-D][1]BENZOXEPINE-5,11-DIOL
G9J:(2S)-3-(3-HYDROXYPHENYL)-2-(4-IODOPHENYL)-4-METHYL-2H-1-BENZOPYRAN-6-OL
GOL:GLYCEROL
NI:NICKEL (II) ION
6dgl[A][A][A]1.95
GEV:(5Z)-5-({4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPANOYL]PHENYL}METHYLIDENE)-1,3-THIAZOLIDINE-2,4-DIONE
6dgo[A2][A2][A2]3.1
GD4:(5S)-5-[(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL]METHOXY}PHENYL)METHYL]-1,3-THIAZOLIDINE-2,4-DIONE
6dgp[A][a][A][a][A][a]3.1
6dgq[A][A][A]2.45
GBV:N-(2-{4-[(2,4-DIOXO-3,4-DIHYDRO-2H-1LAMBDA~4~,3-THIAZOL-5-YL)METHYL]PHENOXY}ETHYL)-5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANAMIDE
6dgr[A2][A2][A2]2.15
GDY:(5Z)-5-({4-[2-(THIOPHEN-2-YL)ETHOXY]PHENYL}METHYLIDENE)-1,3-THIAZOLIDINE-2,4-DIONE
6dh9[A][A][A]2.7
GH1:(5S)-5-({4-[2-(3-METHOXYPHENYL)-2-OXOETHOXY]PHENYL}METHYL)-1,3-THIAZOLIDINE-2,4-DIONE
KNA:NONANOIC ACID
6dha[A][A][A]1.88
GFV:HYDROXY PIOGLITAZONE (M-IV)
KNA:NONANOIC ACID
6dup[A2][A2][A2]2.3
HCJ:(2S)-2-({[3___sq___-(TRIFLUOROMETHYL)[1,1___sq___-BIPHENYL]-4-YL]OXY}METHYL)-2,3-DIHYDRO-7H-[1,3]OXAZOLO[3,2-A]PYRIMIDIN-7-ONE
6dxk[A2][A2][A2]3.05
HJ4:(8S,11R,13S,14S,17S)-11-[4-(DIMETHYLAMINO)PHENYL]-17-(3,3-DIMETHYLBUT-1-YN-1-YL)-17-HYDROXY-13-METHYL-1,2,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE (NON-PREFERRED NAME)
6e5a[A2][A2][A2]2.4
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
HV4:(5Z)-5-({4-[(PROP-2-YN-1-YL)OXY]PHENYL}METHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
6el6[A][a][A][a][A][a]2.4
B9Q:~{N}-[(1~{R},2~{S})-1-[1-(4-FLUOROPHENYL)INDAZOL-5-YL]OXY-1-(6-METHOXYPYRIDIN-3-YL)PROPAN-2-YL]CYCLOPROPANECARBOXAMIDE
EDO:1,2-ETHANEDIOL
6el7[A][a][A][a][A][a]2.18
B9T:~{N}-[(1~{R},2~{S})-1-(2-BROMANYL-4-CYANO-PHENOXY)-1-(2-CYCLOPROPYLPYRIMIDIN-5-YL)PROPAN-2-YL]-2,2-BIS(FLUORANYL)PROPANAMIDE
EDO:1,2-ETHANEDIOL
6el9[A][a][A][a][A][a]2.19
B9W:2,2-BIS(FLUORANYL)-~{N}-[(1~{R},2~{S})-3-METHYL-1-[1-(1-METHYL-6-OXIDANYLIDENE-PYRIDIN-3-YL)INDAZOL-5-YL]OXY-1-PHENYL-BUTAN-2-YL]PROPANAMIDE
EDO:1,2-ETHANEDIOL
6enq[A2][A2][A2]2.2
BJB:4-[1-(1,3-BENZOTHIAZOL-6-YLSULFONYL)-5-CHLORO-INDOL-2-YL]BUTANOIC ACID
6esn[A][a][A][a][A][a]1.84
BWE:(2~{R})-2-ACETAMIDO-~{N}-[4-(5-CYANO-3-FLUORANYL-2-METHOXY-PHENYL)THIOPHEN-2-YL]-2-(4-ETHYLSULFONYLPHENYL)ETHANAMIDE
NA:SODIUM ION
6eu9[A2][A2][A2]2.69
REA:RETINOIC ACID
6f2l[A2][A2][A2]2.1
AXY:(2S)-3-(BIPHENYL-4-YL)-2-(BIPHENYL-4-YLOXY)PROPANOICACID
6fgq[A][A][A]2.37
D9N:METHYL 4-[[3-[5-[2-(4-ETHYLSULFONYLPHENYL)ETHANOYLAMINO]THIOPHEN-3-YL]PYRIDIN-2-YL]OXYMETHYL]BENZOATE
6fo7[A2][a2][A2][a2][A2][a2]2.59
LX3:(1~{R},3~{S},5~{Z})-4-METHYLIDENE-5-[(~{E})-3-[3-(6-METHYL-6-OXIDANYL-HEPTYL)PHENYL]HEPT-2-ENYLIDENE]CYCLOHEXANE-1,3-DIOL
6fo8[A2][a2][A2][a2][A2][a2]2.3
DZT:(1~{R},3~{S},5~{Z})-4-METHYLIDENE-5-[(~{E})-3-[3-(6-METHYL-6-OXIDANYL-HEPTYL)PHENYL]NON-2-ENYLIDENE]CYCLOHEXANE-1,3-DIOL
6fo9[A2][a2][A2][a2][A2][a2]2.7
E0E:(1~{R},3~{S},5~{Z})-4-METHYLIDENE-5-[(~{E})-3-[3-(6-METHYL-6-OXIDANYL-HEPTYL)PHENYL]HEX-2-ENYLIDENE]CYCLOHEXANE-1,3-DIOL
6fob[A2][a2][A2][a2][A2][a2]2.75
DZW:(1~{R},3~{S},5~{Z})-4-METHYLIDENE-5-[(~{E})-3-[3-(6-METHYL-6-OXIDANYL-HEPTYL)PHENYL]DEC-2-ENYLIDENE]CYCLOHEXANE-1,3-DIOL
6fod[A2][a2][A2][a2][A2][a2]2.5
E05:(1~{R},3~{S},5~{Z})-4-METHYLIDENE-5-[(~{E})-3-[3-(6-METHYL-6-OXIDANYL-HEPTYL)PHENYL]PENT-2-ENYLIDENE]CYCLOHEXANE-1,3-DIOL
6fx0[A][A][A]1.9
E9T:6-[3-(1-ADAMANTYL)-4-OXIDANYL-PHENYL]NAPHTHALENE-2-CARBOXYLIC ACID
PG4:TETRAETHYLENE GLYCOL
6fzf[A][a][A][a][A][a]1.95
EDK:(2~{S})-3-[4-[2-[METHYL(PYRIDIN-2-YL)AMINO]ETHOXY]PHENYL]-2-[[2-(PHENYLCARBONYL)PHENYL]AMINO]PROPANOIC ACID
6fzg[A][A][A]2.1
CL:CHLORIDE ION
EDK:(2~{S})-3-[4-[2-[METHYL(PYRIDIN-2-YL)AMINO]ETHOXY]PHENYL]-2-[[2-(PHENYLCARBONYL)PHENYL]AMINO]PROPANOIC ACID
6fzj[A][a][A][a][A][a]2.01
CL:CHLORIDE ION
EDK:(2~{S})-3-[4-[2-[METHYL(PYRIDIN-2-YL)AMINO]ETHOXY]PHENYL]-2-[[2-(PHENYLCARBONYL)PHENYL]AMINO]PROPANOIC ACID
IOD:IODIDE ION
6fzp[A][a][A][a][A][a]2.3
EDK:(2~{S})-3-[4-[2-[METHYL(PYRIDIN-2-YL)AMINO]ETHOXY]PHENYL]-2-[[2-(PHENYLCARBONYL)PHENYL]AMINO]PROPANOIC ACID
6fzu[A][a][A][a][A][a]1.8
EE8:~{N}-(3-CHLORANYL-4-ETHOXY-PHENYL)ETHANAMIDE
6fzy[A2][A2][A2]3.1
6g05[A][a][A][a][A][a]1.9
EF5:2-(4-ETHYLSULFONYLPHENYL)-~{N}-[4-PHENYL-5-(PHENYLCARBONYL)-1,3-THIAZOL-2-YL]ETHANAMIDE
6g07[A][a][A][a][A][a]1.66
EEZ:~{N}-[5-CHLORANYL-6-[(1~{S})-1-PHENYLETHOXY]PYRIDIN-3-YL]-2-(4-ETHYLSULFONYLPHENYL)ETHANAMIDE
6gev[A][a][A][a][A][a]1.54
EWN:6-[[(3~{S})-7-FLUORANYL-3-(2-METHYLPROPYL)-2,3-DIHYDRO-1,4-BENZOXAZIN-4-YL]CARBONYL]-4~{H}-1,4-BENZOXAZIN-3-ONE
GOL:GLYCEROL
6gg8[A][a][A][a][A][a]1.8
EY8:[(3~{R})-7-FLUORANYL-4-[(3-OXIDANYLIDENE-4~{H}-1,4-BENZOXAZIN-6-YL)CARBONYL]-2,3-DIHYDRO-1,4-BENZOXAZIN-3-YL]METHANESULFONAMIDE
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
6ggg[A][a][A][a][A][a]1.71
CL:CHLORIDE ION
EYN:2-[(3~{S})-7-FLUORANYL-6-(2-METHYLPROPYL)-4-[(3-OXIDANYLIDENE-4~{H}-1,4-BENZOXAZIN-6-YL)CARBONYL]-2,3-DIHYDRO-1,4-BENZOXAZIN-3-YL]-~{N}-METHYL-ETHANAMIDE
6hl0[A][a][A][a][A][a]1.66
6hl1[A][a][A][a][A][a]1.6
JN3:CHENODEOXYCHOLIC ACID
6iar[A][A][A]1.84
H8W:3-[4-[(6~{R})-7-(2-METHYLPROPYL)-3,6,8,9-TETRAHYDROPYRAZOLO[4,3-F]ISOQUINOLIN-6-YL]PHENYL]PROPANOIC ACID
6ivx[A][a][A][a][A][a]2.35
AYO:(4S)-4-[4___sq___-CYCLOPROPYL-5-(2,2-DIMETHYLPROPYL)[3,5___sq___-BI-1,2-OXAZOL]-3___sq___-YL]-6-[(2,4-DICHLOROPHENYL)AMINO]-6-OXOHEXANOIC ACID
6izm[A][a][A][a][A][a]1.8
B0X:3-[[6-(2,6-DIMETHYLPYRIDIN-3-YL)OXY-1-METHYL-BENZIMIDAZOL-2-YL]METHOXY]BENZOIC ACID
6izn[A][a][A][a][A][a]1.75
B1O:3-[[6-(2,6-DIMETHYLPYRIDIN-3-YL)OXY-7-FLUORANYL-1-METHYL-BENZIMIDAZOL-2-YL]METHOXY]BENZOIC ACID
6j1l[A][A][A]2.3
B6L:2-[4-(ETHYLSULFONYL)PHENYL]-N-[2___sq___-FLUORO-4___sq___-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)[1,1___sq___-BIPHENYL]-4-YL]ACETAMIDE
6mcz[A][A][A]2.1
ACD:ARACHIDONIC ACID
6md0[A][A][A]1.95
OLA:OLEIC ACID
6md1[A][A][A]2.2
GW9:2-CHLORO-5-NITRO-N-PHENYLBENZAMIDE
OLA:OLEIC ACID
6md2[A][A][A]2.2
ACD:ARACHIDONIC ACID
GW9:2-CHLORO-5-NITRO-N-PHENYLBENZAMIDE
6md4[A][A][A]2.24
BRL:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
OLA:OLEIC ACID
6nad[A][A][A]2.9
KHY:(S)-(4-CHLORO-2-METHOXY-3-{[4-(TRIFLUOROMETHYL)PIPERIDIN-1-YL]METHYL}QUINOLIN-6-YL)(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]METHANOL
6o98[A][A][A]2.29
L8A:1-(4-{(3R)-3-[(4-FLUOROPHENYL)SULFONYL]-3-[4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)PHENYL]PYRROLIDINE-1-CARBONYL}PIPERAZIN-1-YL)ETHAN-1-ONE
6q2w[A][A][A]1.99
HBW:(2~{S})-1-[2,4-BIS(CHLORANYL)-3-[[4-IMIDAZOL-1-YL-2-(TRIFLUOROMETHYL)QUINOLIN-8-YL]OXYMETHYL]PHENYL]SULFONYL-~{N}-METHYL-PYRROLIDINE-2-CARBOXAMIDE
*Chain Formula of OLIGAMI.
  [ ] : Polypeptide - [AB] : Protein, [ab] : Small peptide
  ( ) : Nucleic acid - (AB) : DNA, (ab) : RNA
PDL