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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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156217
 
#1

L99A binders: (2-THIENYLTHIO)ACETO
L99A/M102Q binders: (2-THIENYLTHIO)ACETO
Chembo Pharma: KB-01363, KB-146836
Labotest: LT00454177
Molport BB: MolPort-001-768-701...19 total

ref: mol2, SDF, SMILES, flexibase
1.86,5.38,-6.9,0,1,0, 172.274, 3

Similar to: 32166854,
4521187
 
#2

ChemMol: 44016805
eMolecules: 479599
L99A binders: 1,2-BENZISOXAZOLE
L99A/M102Q binders: 1,2-BENZISOXAZOLE
Molport: MolPort-002-070-260...83 total

ref: mol2, SDF, SMILES, flexibase
1.73,3.94,-8.21,0,2,0, 119.123, 0
2575437
 
#3

L99A binders: 1-ETHYL-2-METHYLCYCL
L99A/M102Q binders: 1-ETHYL-2-METHYLCYCL
BOC Sciences BB: 19780-56-4
Chembo Pharma: KB-12104
Tetrahedron Building Blocks: TS04224...11 total

ref: mol2, SDF, SMILES, flexibase
2.87,6.21,-0.72,0,0,0, 110.2, 1
1845841
 
#4

eMolecules: 484301
L99A binders: 1-PHENYL-1-PROPYNE
L99A/M102Q binders: 1-PHENYL-1-PROPYNE
Molport: MolPort-002-488-676
Acros Organics: 17132...36 total

ref: mol2, SDF, SMILES, flexibase
2.51,2.37,-4.57,0,0,0, 116.163, 0

Similar to: 39048959,
1591814
 
#5

ChemMol: 1030859, 44027204, 96700111, 44002113, 97800232
L99A binders: 2,3-BENZOFURAN
L99A/M102Q binders: 2,3-BENZOFURAN
TCM Database @ Taiwan: tcm03_001685
Acros Organics: 10548...235 total

ref: mol2, SDF, SMILES, flexibase
2.26,4.85,-5.32,0,1,0, 118.135, 0

Similar to: 2583669, 32197188, 32266378, 32266380, 34518796, ... 5 in total.
164410
 
#6

ChemMol: 97806498, 1032314, 1033904, 30100649, 44009046, 1201152, 98000865, 1033617
eMolecules: 490436
L99A non-binders: 2,4-DIFLUOROPHENOL
L99A/M102Q binders: 2,4-DIFLUOROPHENOL
Acros Organics: 24320...67 total

ref: mol2, SDF, SMILES, flexibase
1.97,1.77,-4.39,1,1,0, 130.093, 0

Similar to: 389659,
409267
 
#7

ChemMol: 1032311, 1033614, 1033901
L99A/M102Q binders: 2,6-DICHLOROPHENOL-4
Acros Organics: 29430
AK Scientific: L111
AKOS: AKOS015849935...38 total

ref: mol2, SDF, SMILES, flexibase
3.09,-0.22,-2.58,1,1,0, 180.993, 0

Similar to: 39373016,
1577167
 
#8

ChemMol: 30100684, 44016474
eMolecules: 501569
L99A/M102Q binders: 2,6-DIMETHYLPHENOL
Molport: MolPort-001-760-360
Acros Organics: 11657...190 total

ref: mol2, SDF, SMILES, flexibase
2.52,3.14,-3.66,1,1,0, 122.167, 0
160928
 
#9

L99A binders: 2-(METHYLTHIO)THIOPH
L99A/M102Q binders: 2-(METHYLTHIO)THIOPH
AK Scientific: Z0707
Aldrich CPR: R436550|ALDRICH
Alfa-Aesar: A11763...29 total

ref: mol2, SDF, SMILES, flexibase
2.32,4.64,-2.78,0,0,0, 130.237, 1

Similar to: 5276821, 32166852, 32218913,
1690121
 
#10

L99A/M102Q binders: 2-ALLYL-6-METHYLPHEN
Chembo Pharma: KB-19437
FineTech: FT-0610993
NCI Plated 2007: 60286
Sigma Aldrich (Building Blocks): A34007|ALDRICH...26 total

ref: mol2, SDF, SMILES, flexibase
2.89,0.67,-3.37,1,1,0, 148.205, 2

Similar to: 32223866, 33844901, 39223162, 39245157, 39261845, ... 6 in total.
1576883
 
#11

ChemMol: 44013402
eMolecules: 476296
L99A/M102Q binders: 2-ALLYLPHENOL
Molport: MolPort-001-766-686
Scientific Exchange (make on demand): F-415664...306 total

ref: mol2, SDF, SMILES, flexibase
2.70,3.68,-3.66,1,1,0, 134.178, 2

Similar to: 33844986, 39248557, 39319008,
404327
 
#12

ChemMol: 30106369, 1203096, 83600680, 98000600, 44005299, 97800361
eMolecules: 536188
L99A/M102Q binders: 2-CHLORO-6-METHYLANI
Acorn PharmaTech: ACN-S003620, ACN-S002514
Acros Organics: 10936...78 total

ref: mol2, SDF, SMILES, flexibase
2.45,3.72,-2.68,2,1,0, 141.601, 0

Similar to: 32006567,
2037726
 
#13

ChemMol: 44006623
L99A binders: 2-ETHYLFURAN
L99A/M102Q binders: 2-ETHYLFURAN
Molport: MolPort-001-769-736
TCM Database @ Taiwan: 30497...49 total

ref: mol2, SDF, SMILES, flexibase
1.75,4.04,-3.21,0,1,0, 96.129, 1

Similar to: 2581181,
1598717
 
#14

ChemMol: 30113343, 44009225
L99A binders: 2-ETHYLTOLUENE
L99A/M102Q binders: 2-ETHYLTOLUENE
TCM Database @ Taiwan: tcm03_002943
AK Scientific: Z4941...97 total

ref: mol2, SDF, SMILES, flexibase
3.25,1.94,-1.88,0,0,0, 120.195, 1
2012814
 
#15

L99A binders: 2-IODOPROPANE
L99A/M102Q binders: 2-IODOPROPANE
Acros Organics: 16496
Alfa-Aesar: A15066
Chembo Pharma: KB-24690...28 total

ref: mol2, SDF, SMILES, flexibase
2.06,0.55,-0.94,0,0,0, 169.993, 0
1672846
 
#16

ChemMol: 1035612, 44016200, 98000165, 1200716
L99A binders: 2-IODOTOLUENE
L99A/M102Q binders: 2-IODOTOLUENE
Acros Organics: 12243
AK Scientific: P413...75 total

ref: mol2, SDF, SMILES, flexibase
3.42,0.71,-1.98,0,0,0, 218.037, 0
1680692
 
#17

ChemMol: 44008134, 83603557
L99A/M102Q binders: 2-ISOPROPYLPHENOL
Molport: MolPort-001-791-597
Acros Organics: 15668
AK Scientific: P678...105 total

ref: mol2, SDF, SMILES, flexibase
2.92,0.15,-3.38,1,1,0, 136.194, 1

Similar to: 5761641,
2169156
 
#18

ChemMol: 96700551, 1031706, 83603487
L99A binders: THIOPHENE-2-THIOL
L99A/M102Q binders: 2-MERCAPTO-THIOPHENE
AKOS: AKOS009156526
Alfa-Aesar: B22642...58 total

ref: mol2, SDF, SMILES, flexibase
2.11,3.62,-2.03,0,0,0, 116.21, 0
2013344
 
#19

eMolecules: 489694
L99A binders: 2-METHYLBENZOFURAN
L99A/M102Q binders: 2-METHYLBENZOFURAN
Acros Organics: 20840
AK Scientific: X5959...38 total

ref: mol2, SDF, SMILES, flexibase
2.48,1.84,-5.58,0,1,0, 132.162, 0

Similar to: 6118044, 26053036, 33834559, 33834560, 39298309, ... 5 in total.
895934
 
#20

ChemMol: 44005439, 30106595
eMolecules: 530624
L99A/M102Q binders: 2-PHENYLETHANOL
Molport: MolPort-000-872-041
TCM Database @ Taiwan: 25692...235 total

ref: mol2, SDF, SMILES, flexibase
1.49,2.6,-3.48,1,1,0, 122.167, 2

Similar to: 4072081,
2039219
 
#21

ChemMol: 98000900
eMolecules: 490789
L99A/M102Q binders: 2-n-PROPYLANILINE
AK Scientific: P410
Anward: ANW-23090...57 total

ref: mol2, SDF, SMILES, flexibase
2.68,4.67,-2.36,2,1,0, 135.21, 2

Similar to: 5162245, 39048551, 39048756, 39247123, 39256282, ... 6 in total.
1692499
 
#22

eMolecules: 593593
L99A/M102Q binders: 2-n-PROPYLPHENOL
Molport: MolPort-001-768-058
TCM Database @ Taiwan: 31391
AK Scientific: 7332AE...68 total

ref: mol2, SDF, SMILES, flexibase
3.18,3.91,-3.43,1,1,0, 136.194, 2

Similar to: 2579397, 34592218, 38809985,
164838
 
#23

CCP W191G non-binders: MFCD00007763
ChemMol: 30100318, 44009026, 98000602, 1201135, 1036763
eMolecules: 493075
L99A non-binders: 3,5-DIFLUOROANILINE
L99A/M102Q binders: 3,5-DIFLUOROANILINE...101 total

ref: mol2, SDF, SMILES, flexibase
1.27,2.5,-3.26,2,1,0, 129.109, 0
1699560
 
#24

L99A binders: 3-ETHYLTOLUENE
L99A/M102Q binders: 3-ETHYLTOLUENE
Acros Organics: 11900
AK Scientific: Z1676
Alfa-Aesar: L18788...63 total

ref: mol2, SDF, SMILES, flexibase
3.28,2,-1.83,0,0,0, 120.195, 1
407040
 
#25

ChemMol: 30107258, 97800363, 1037853, 1036703, 1203285, 1037631, 44005823, 44013378, 98000578, 1035605
eMolecules: 489578
L99A/M102Q binders: 3-FLUORO-2-METHYLANI
Scientific Exchange (make on demand): F-442266
Acorn PharmaTech: ACN-S003748...85 total

ref: mol2, SDF, SMILES, flexibase
1.94,3.18,-3.78,2,1,0, 125.146, 0
395551
 
#26

ChemMol: 1201251, 98001328
L99A/M102Q binders: 3-FLUOROPHENETHYLALC
Acros Organics: 30469
AK Scientific: Y9321
Anward: ANW-31399...39 total

ref: mol2, SDF, SMILES, flexibase
1.62,2.65,-4.26,1,1,0, 140.157, 2

Similar to: 32006500, 44198907,
1672847
 
#27

ChemMol: 98000170, 44009496
L99A binders: 3-IODOTOLUENE
L99A/M102Q binders: 3-IODOTOLUENE
Alfa-Aesar: A10999
Angene Building Blocks: AGN-PC-0JKAI6...61 total

ref: mol2, SDF, SMILES, flexibase
3.44,0.69,-1.81,0,0,0, 218.037, 0
2034399
 
#28

ChemMol: 44020650
L99A non-binders: 3-METHYLPYRROLE
L99A/M102Q binders: 3-METHYLPYRROLE
A&J Pharmtech: AJ-00369
ACT Chemical BB: ACT05027...41 total

ref: mol2, SDF, SMILES, flexibase
1.23,3.06,-3.54,1,1,0, 81.118, 0

Similar to: 2585418,
5138975
 
#29

L99A binders: 3-PHENYL-1-PROPANETH
L99A/M102Q binders: 3-PHENYL-1-PROPANETH
Enamine Building Blocks: EN300-74954
Fluorochem: 394094
Molport BB: MolPort-004-326-897...18 total

ref: mol2, SDF, SMILES, flexibase
2.96,0.74,-2.7,0,0,0, 152.262, 3
hi: mol2, SDF, SMILES, flexibase
2.96,-0.21,-44.27,0,0,-1, 151.254, 3
1571261
 
#30

eMolecules: 496423
L99A binders: 3-PHENYL-1-PROPANOL
L99A/M102Q binders: 3-PHENYL-1-PROPANOL
Molport: MolPort-001-794-190
Acros Organics: 25588...40 total

ref: mol2, SDF, SMILES, flexibase
2.69,3.54,-2.32,1,1,0, 142.242, 3

Similar to: 33798642, 33798643, 33798644,
1699561
 
#31

ChemMol: 30114564, 44035241
L99A binders: 4-ETHYLTOLUENE
L99A/M102Q binders: 4-ETHYLTOLUENE
Alfa-Aesar: L02120
Anward: ANW-34142...85 total

ref: mol2, SDF, SMILES, flexibase
3.30,2,-1.79,0,0,0, 120.195, 1
388332
 
#32

ChemMol: 30105821, 44004886, 1202336, 98000441
eMolecules: 483426
L99A/M102Q binders: 4-FLUOROPHENETHYLALC
Molport: MolPort-001-775-428
Acorn PharmaTech: ACN-S003557...71 total

ref: mol2, SDF, SMILES, flexibase
1.65,2.66,-4.02,1,1,0, 140.157, 2

Similar to: 32006501, 44198859,
1003750
 
#33

ChemMol: 1035597, 30104228, 44003828
L99A binders: 4-IODOTOLUENE
L99A/M102Q binders: 4-IODOTOLUENE
Scientific Exchange (make on demand): M-235541
Acorn PharmaTech: ACN-S002719...96 total

ref: mol2, SDF, SMILES, flexibase
3.47,0.69,-1.75,0,0,0, 218.037, 0
142824
 
#34

eMolecules: 474182
L99A/M102Q binders: ACETANILIDE
Scientific Exchange (make on demand): Z-078311
Acros Organics: 15081
AF ChemPharm: CP/2V-008...253 total

ref: mol2, SDF, SMILES, flexibase
1.16,3.39,-8.79,1,2,0, 135.166, 1

Similar to: 2581651, 34396225,
1601799
 
#35

L99A binders: ALLYL-N-PROPYLETHER
L99A/M102Q binders: ALLYL-N-PROPYLETHER
FineTech: FT-0622006
TCI: A1038
AKOS BB (make-on-demand): AKOS015912466...22 total

ref: mol2, SDF, SMILES, flexibase
1.82,3.51,-1.84,0,1,0, 100.161, 4
1531083
 
#36

L99A binders: ALLYL-SULFIDE
L99A/M102Q binders: ALLYL-SULFIDE
TCM Database @ Taiwan: tcm03_002229, 30825, tcm03_000319
Acros Organics: 10302
Alfa-Aesar: L10971...87 total

ref: mol2, SDF, SMILES, flexibase
2.13,5.37,-1.9,0,0,0, 114.213, 4
2166476
 
#37

L99A binders: ALLYL-ETHYL-SULFIDE
L99A/M102Q binders: ALLYLETHYLSULFIDE
Aldrich CPR: S620327|ALDRICH
Alfa-Aesar: L12847
Chembo Pharma: KB-47204...19 total

ref: mol2, SDF, SMILES, flexibase
1.86,4.8,-1.8,0,0,0, 102.202, 3
897131
 
#38

L99A binders: ANISOLE
L99A/M102Q binders: ANISOLE
TCM Database @ Taiwan: tcm03_000494
Acros Organics: 15392, 42925
AKOS: AKOS000120161...480 total

ref: mol2, SDF, SMILES, flexibase
1.99,3.79,-3.44,0,1,0, 108.14, 1
967532
 
#39

ChemMol: 83601728
L99A binders: BENZENE
L99A/M102Q binders: BENZENE
Aldrich CPR: S458074|ALDRICH
Alfa-Aesar: 43817...2520 total

ref: mol2, SDF, SMILES, flexibase
1.94,4.49,-1.8,0,0,0, 78.114, 0
3873647
 
#40

ChemMol: 98000463, 1034029, 1032439, 1033741, 1202881
L99A binders: BENZYL-MERCAPTAN
L99A/M102Q binders: BENZYL-MERCAPTAN
Acros Organics: 42126
Alfa-Aesar: B20081...140 total

ref: mol2, SDF, SMILES, flexibase
2.23,0.51,-2.39,0,0,0, 124.208, 1
hi: mol2, SDF, SMILES, flexibase
2.23,-0.45,-44.23,0,0,-1, 123.2, 1

Similar to: 6096484, 33799174, 38482009,
13950913
 
#41

L99A binders: BROMOETHANE
L99A/M102Q binders: BROMOETHANE
Molport BB: MolPort-003-931-602
Sigma Aldrich (Building Blocks): 486035|ALDRICH, 616516|ALDRICH, 389455|ALDRICH, 485810|ALDRICH, 491950|ALDRICH
AKOS BB (make-on-demand): AKOS015912986...21 total

ref: mol2, SDF, SMILES, flexibase
1.43,2.85,-1.25,0,0,0, 108.966, 0
13512214
 
#42

AfroDb Natural Products: NA_0038
ChemMol: 44002867
eMolecules: 480934
L99A/M102Q binders: CATECHOL
Molport: MolPort-000-871-939...591 total

ref: mol2, SDF, SMILES, flexibase
0.99,-0.44,-6.18,2,2,0, 110.112, 0
13950911
 
#43

ChemMol: 44007760
L99A binders: CYCLOHEXENE
L99A/M102Q binders: CYCLOHEXENE
Molport: MolPort-001-779-794
Acros Organics: 15484...266 total

ref: mol2, SDF, SMILES, flexibase
2.72,4.77,-0.56,0,0,0, 82.146, 0
968270
 
#44

L99A binders: ETHYLBENZENE
L99A/M102Q binders: ETHYLBENZENE
Molport: MolPort-016-899-218
Acros Organics: 11416, 43380, 11808, 32136
Alfa-Aesar: L05908...582 total

ref: mol2, SDF, SMILES, flexibase
2.85,5.93,-1.74,0,0,0, 106.168, 1
967759
 
#45

ChemMol: 96707510
L99A binders: FLUOROBENZENE
L99A/M102Q binders: FLUOROBENZENE
Scientific Exchange: LK-377
Acros Organics: 11934...199 total

ref: mol2, SDF, SMILES, flexibase
2.10,4.56,-2.88,0,0,0, 96.104, 0
1583743
 
#46

L99A binders: HEXAFLUOROBENZENE
L99A/M102Q binders: HEXAFLUOROBENZENE
Acros Organics: 12054
Alfa-Aesar: A11500
Anward: ANW-29049...67 total

ref: mol2, SDF, SMILES, flexibase
2.63,4.89,-0.95,0,0,0, 186.054, 0
1699888
 
#47

ChemMol: 44026745, 44006420
L99A binders: INDENE
L99A/M102Q binders: INDENE
Molport: MolPort-000-872-023
Acros Organics: 12214...219 total

ref: mol2, SDF, SMILES, flexibase
2.48,6.29,-3.37,0,0,0, 116.163, 0
14516984
 
#48

ChemMol: 83603184, 96707561, 2000372
eMolecules: 493363
L99A binders: INDOLE
L99A/M102Q binders: INDOLE
Molport: MolPort-001-738-532...755 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.53,-5.07,1,1,0, 117.151, 0

Similar to: 32208172, 39047179, 39279038,
1699878
 
#49

ChemMol: 98000159, 1035874, 1035751
L99A binders: IODOBENZENE
L99A/M102Q binders: IODOBENZENE
Acros Organics: 12233
AKOS: AKOS000118942...183 total

ref: mol2, SDF, SMILES, flexibase
3.02,5.58,-1.86,0,0,0, 204.01, 0
13950914
 
#50

L99A binders: IODOETHANE
L99A/M102Q binders: IODOETHANE
Sigma Aldrich (Building Blocks): 324582|ALDRICH, 486736|ALDRICH, 489778|ALDRICH
AKOS BB (make-on-demand): AKOS015912868
PubChem: 12208629...15 total

ref: mol2, SDF, SMILES, flexibase
1.70,3.32,-1.08,0,0,0, 155.966, 0
1566661
 
#51

L99A binders: ISOBUTYLBENZENE
L99A/M102Q binders: ISOBUTYLBENZENE
Aldrich CPR: S564869|ALDRICH
Anward: ANW-22315
BOC Sciences BB: 1678-98-4...46 total

ref: mol2, SDF, SMILES, flexibase
4.44,7.39,0.08,0,0,0, 140.27, 2
968281
 
#52

L99A binders: M-XYLENE
L99A/M102Q binders: M-XYLENE
Molport: MolPort-003-926-319
Acros Organics: 18086, 15893
Alfa-Aesar: L03788...330 total

ref: mol2, SDF, SMILES, flexibase
2.81,5.83,-2.06,0,0,0, 106.168, 0
12363587
 
#53

L99A/M102Q binders: N-ALLYLANILINE
Acros Organics: 10287
Alfa-Aesar: H55821
Anward: ANW-33067
Chembo Pharma: KB-57579...62 total

ref: mol2, SDF, SMILES, flexibase
2.44,0.06,-2.31,1,1,0, 133.194, 3

Similar to: 34478676, 34567198, 39039847,
1699444
 
#54

eMolecules: 478867
L99A binders: 1-PHENYLPENTANE
L99A/M102Q binders: N-AMYLBENZENE
Molport: MolPort-001-762-349
TCM Database @ Taiwan: 27439...90 total

ref: mol2, SDF, SMILES, flexibase
4.31,2.04,-1.55,0,0,0, 148.249, 4
1586756
 
#55

L99A binders: N-BUTYLBENZENE
L99A/M102Q binders: N-BUTYLBENZENE
Acros Organics: 10785
AK Scientific: 1015AA
Alfa-Aesar: A10910...141 total

ref: mol2, SDF, SMILES, flexibase
3.80,1.92,-1.55,0,0,0, 134.222, 3
1615765
 
#56

L99A binders: N-HEXYLBENZENE
L99A/M102Q binders: N-HEXYLBENZENE
Aldrich CPR: S415766|ALDRICH
Anward: ANW-75643
Chembo Pharma: KB-52441...45 total

ref: mol2, SDF, SMILES, flexibase
5.74,9.21,0.15,0,0,0, 168.324, 5

Similar to: 2166907, 60247253, 60247266, 60247268, 60247270, ... 40 in total.
1747837
 
#57

L99A binders: N-PROPYLBENZENE
L99A/M102Q binders: N-PROPYLBENZENE
Molport: MolPort-019-372-847
Acros Organics: 41843
Alfa-Aesar: B21468...167 total

ref: mol2, SDF, SMILES, flexibase
3.24,6.7,-1.6,0,0,0, 120.195, 2
967522
 
#58

L99A binders: NAPHTHALENE
L99A/M102Q binders: NAPHTHALENE
Molport: MolPort-001-738-535
TCM Database @ Taiwan: tcm03_006138
Acros Organics: 18090...1285 total

ref: mol2, SDF, SMILES, flexibase
3.15,6.77,-3.52,0,0,0, 128.174, 0
968282
 
#59

ChemMol: 44002585
L99A binders: O-XYLENE
L99A/M102Q binders: O-XYLENE
TCM Database @ Taiwan: 26545, tcm03_002505
Acros Organics: 44302...674 total

ref: mol2, SDF, SMILES, flexibase
2.79,5.72,-2.14,0,0,0, 106.168, 0
968254
 
#60

ChemMol: 44014074, 98000820, 1202229
L99A binders: P-XYLENE
L99A/M102Q binders: P-XYLENE
Molport: MolPort-001-783-900
TCM Database @ Taiwan: 30844...651 total

ref: mol2, SDF, SMILES, flexibase
2.84,5.84,-2.02,0,0,0, 106.168, 0
1680639
 
#61

ChemMol: 97804516, 44029399
L99A binders: PHENYLACETYLENE
L99A/M102Q binders: PHENYLACETYLENE
Molport: MolPort-000-872-082
Acros Organics: 15246...190 total

ref: mol2, SDF, SMILES, flexibase
1.70,2.66,-3.96,0,0,0, 102.136, 0
1586757
 
#62

L99A binders: SEC-BUTYLBENZENE
L99A/M102Q binders: SEC-BUTYLBENZENE
Molport: MolPort-003-927-517
Acros Organics: 10786
Alfa-Aesar: B22962...93 total

ref: mol2, SDF, SMILES, flexibase
3.79,2.16,-1.49,0,0,0, 134.222, 2
2041000
 
#63

L99A binders: SEC-BUTYLBENZENE
L99A/M102Q binders: SEC-BUTYLBENZENE
Molport: MolPort-003-927-517
Acros Organics: 10786
Alfa-Aesar: B22962...95 total

ref: mol2, SDF, SMILES, flexibase
3.79,2.16,-1.48,0,0,0, 134.222, 2
968269
 
#64

L99A binders: STYRENE
L99A/M102Q binders: STYRENE
Molport: MolPort-001-779-766
TCM Database @ Taiwan: tcm03_007956, 30849
Acros Organics: 17539...2161 total

ref: mol2, SDF, SMILES, flexibase
2.79,5.58,-2.28,0,0,0, 104.152, 1
1679161
 
#65

ChemMol: 96700131, 97800236, 44006669, 1201504
eMolecules: 480239
L99A binders: THIANAPHTHENE
L99A/M102Q binders: THIANAPHTHENE
Molport: MolPort-001-738-534...193 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.84,-4.09,0,0,0, 134.203, 0

Similar to: 6118956, 32224047, 32224220, 32224225, 34479915, ... 5 in total.
1688763
 
#66

L99A binders: THIOANISOLE
L99A/M102Q binders: THIOANISOLE
Acros Organics: 13867
Alfa-Aesar: A14846, L03712
Angene Building Blocks: AGN-PC-008LG3...129 total

ref: mol2, SDF, SMILES, flexibase
2.37,5.51,-3.1,0,0,0, 124.208, 1

Similar to: 34649673,
404329
 
#67

CCP W191G non-binders: MFCD00002256
ChemMol: 44022717, 98000250, 1033934, 1202033, 1032344, 1033647
eMolecules: 492611
L99A non-binders: 3-CHLOROPHENOL
L99A/M102Q binders: 3-CHLOROPHENOL...106 total

ref: mol2, SDF, SMILES, flexibase
2.11,2.15,-3.66,1,1,0, 128.558, 0

Similar to: 6091355,
157599
 
#68

ChemMol: 1202396, 1036988, 96707614, 44009694, 98000703
eMolecules: 511418
L99A non-binders: 2-FLUOROANILINE
L99A/M102Q binders: 2-FLUOROANILINE
Acorn PharmaTech: ACN-S002161...120 total

ref: mol2, SDF, SMILES, flexibase
1.54,2.46,-3.44,2,1,0, 111.119, 0
967534
 
#69

CCP W191G non-binders: MFCD00008512
L99A binders: TOLUENE
L99A/M102Q binders: TOLUENE
TCM Database @ Taiwan: tcm03_005501, 28492, 42296
Acros Organics: 26837...2562 total

ref: mol2, SDF, SMILES, flexibase
2.39,5.16,-1.88,0,0,0, 92.141, 0
157573
 
#70

ChemMol: 98000706, 30100500, 44008051, 1202409, 1036761
eMolecules: 501893
L99A non-binders: 2,4-DIFLUOROANILINE
L99A/M102Q binders: 2,4-DIFLUOROANILINE
Molport: MolPort-000-003-205...85 total

ref: mol2, SDF, SMILES, flexibase
1.68,2.52,-3.6,2,1,0, 129.109, 0
1867127
 
#71

ChemMol: 1033710, 44021045, 1032408, 1202391
L99A binders: THIOPHENOL
L99A/M102Q binders: THIOPHENOL
Molport: MolPort-000-872-091
Acros Organics: 13887...333 total

ref: mol2, SDF, SMILES, flexibase
2.17,5.11,-45.42,0,0,-1, 109.173, 0
1699964
 
#72

L99A binders: METHYLCYCLOHEXANE
L99A/M102Q binders: METHYLCYCLOHEXANE
TCM Database @ Taiwan: tcm03_005577
Acros Organics: 43377, 12658, 39724, 32142
AKOS: AKOS015842776...275 total

ref: mol2, SDF, SMILES, flexibase
2.98,5.47,-0.05,0,0,0, 98.189, 0
13950915
 
#73

L99A binders: 622-37-7
L99A/M102Q binders: PHENYL-AZIDE
Chembo Pharma: KB-59546
ChemDiv BuildingBlocks: BB10-1225
Element Store BB: b2star-622-37-7...28 total

ref: mol2, SDF, SMILES, flexibase
2.99,2.22,-2.55,0,3,0, 119.127, 1

Similar to: 34320272, 36455702, 6096803,
13950917
 
#74

L99A binders: bwm1995_2
L99A/M102Q binders: p-METHYLPHENYLAZIDE
Molport: MolPort-005-311-837
ChemDiv BuildingBlocks: BB10-1237
Enamine Building Blocks: EN300-209142...21 total

ref: mol2, SDF, SMILES, flexibase
3.44,2.87,-2.38,0,3,0, 133.154, 1

Similar to: 31331624, 31334839, 31477254, 31672981, 32137274, ... 8 in total.
1683664
 
#75

ChemMol: 44006660
eMolecules: 712348
L99A/M102Q binders: MFCD00044430
Molport: MolPort-004-400-376
Acros Organics: 18450...36 total

ref: mol2, SDF, SMILES, flexibase
1.58,3.82,-6.34,1,2,0, 132.166, 2

Similar to: 34334636,
1680876
 
#76

ChemMol: 44004599, 1031651, 30105443
eMolecules: 592609
L99A/M102Q binders: MFCD00005425
AK Scientific: L329
AKOS: AKOS000268995...68 total

ref: mol2, SDF, SMILES, flexibase
1.68,4.33,-8.23,0,3,0, 129.14, 1
3875718
 
#77

eMolecules: 484168
L99A/M102Q binders: MFCD00006561
Molport: MolPort-005-909-506
Anward: ANW-14970
Chembo Pharma: KB-68603...30 total

ref: mol2, SDF, SMILES, flexibase
1.45,3.79,-3.25,0,2,0, 128.171, 2

Similar to: 33836170, 34581495, 34581496, 34581497, 34581498, ... 6 in total.
3875719
 
#78

eMolecules: 484168
L99A/M102Q binders: MFCD00006561
Molport: MolPort-005-909-506
Anward: ANW-14970
Chembo Pharma: KB-68603...27 total

ref: mol2, SDF, SMILES, flexibase
1.45,3.8,-3.16,0,2,0, 128.171, 2

Similar to: 33836170, 34581495, 34581496, 34581497, 34581498, ... 6 in total.
15443126
 
#79

L99A binders: MFCD01320905
L99A/M102Q binders: MFCD01320905
Molport: MolPort-001-768-681
Scientific Exchange Building Blocks: F-369321
Aldrich CPR: CDS015331|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
2.84,3.13,-36.75,1,3,1, 148.189, 2

Similar to: 38077016,
1577061
 
#80

ChemMol: 44003899
eMolecules: 478248
L99A non-binders: MFCD00002857
L99A/M102Q binders: MFCD00002857
Molport: MolPort-001-768-719...210 total

ref: mol2, SDF, SMILES, flexibase
1.36,1.61,-6.32,1,2,0, 138.166, 3
160290
 
#81

ChemMol: 30111881, 83600755, 44019314, 44011423, 1030346, 97602706
eMolecules: 492782
L99A/M102Q binders: MFCD00075128
Molport: MolPort-001-761-227, MolPort-003-698-666
Scientific Exchange (make on demand): F-338005...98 total

ref: mol2, SDF, SMILES, flexibase
2.00,4.19,-3.83,1,1,0, 170.639, 3

Similar to: 34427595, 36156456, 36156458, 36157189, 36157192, ... 25 in total.
160291
 
#82

ChemMol: 1030531, 83600751, 44001477, 44019314
eMolecules: 497623
L99A/M102Q binders: MFCD00075128
Molport: MolPort-003-698-666
Scientific Exchange (make on demand): F-338005...90 total

ref: mol2, SDF, SMILES, flexibase
2.00,4.22,-3.83,1,1,0, 170.639, 3

Similar to: 34427595, 36156456, 36156458, 36157189, 36157192, ... 25 in total.
1736716
 
#83

L99A/M102Q binders: MFCD00014041
Aldrich CPR: S408859|ALDRICH
Alfa-Aesar: L12528
Anward: ANW-24969
FineTech: FT-0612601...25 total

ref: mol2, SDF, SMILES, flexibase
1.08,1.69,-2.82,1,1,0, 120.217, 4
165492
 
#84

ChemMol: 44027418, 30115871, 51500192
L99A/M102Q binders: 251-41-2
AK Scientific: AMTGC028
AKOS: AKOS008901312
Alfa-Aesar: H30637...64 total

ref: mol2, SDF, SMILES, flexibase
2.66,4.9,-4.13,0,0,0, 140.232, 0
4521854
 
#85

ChemMol: 96705380
L99A/M102Q binders: MFCD00012134
Scientific Exchange: L03/HERMANN4
AK Scientific: 6444AA
Anward: ANW-75061...29 total

ref: mol2, SDF, SMILES, flexibase
2.03,0.01,-3.63,1,1,0, 121.183, 0

Similar to: 26056761, 26058951, 36458549, 38265247, ... 4 in total.
157134
 
#86

ChemMol: 1201223, 98000799
L99A/M102Q binders: MFCD00008712
Molport: MolPort-001-783-867
TCM Database @ Taiwan: 28304, tcm03_000850
Acros Organics: 10582...132 total

ref: mol2, SDF, SMILES, flexibase
1.98,6.13,-6.09,0,2,0, 150.177, 3

Similar to: 34365019, 39248652,
4097291
 
#87

ChemMol: 44011952, 98000176
L99A non-binders: NITROSOBENZENE
L99A/M102Q binders: MFCD00002059
Scientific Exchange (make on demand): POD_45/0602
AKOS: AKOS004901810...50 total

ref: mol2, SDF, SMILES, flexibase
1.84,2.99,-4.96,0,2,0, 107.112, 1
1049758
 
#88

ChemMol: 44001690
eMolecules: 838034
L99A/M102Q binders: ?MFCD00159634
A&J Pharmtech: AJ-00530
ACT Chemical BB: ACT05129...74 total

ref: mol2, SDF, SMILES, flexibase
0.93,1.48,-4.69,1,2,0, 102.524, 0
4582794
 
#89

ChemMol: 44021116
eMolecules: 206845920
L99A/M102Q binders: no-code
L99A/M102Q non-binders: 29683-84-9
Molport: MolPort-001-020-805...61 total

ref: mol2, SDF, SMILES, flexibase
2.25,1.39,-5.97,1,2,0, 127.168, 1
ref: mol2, SDF, SMILES, flexibase
1.44,1.67,-3.33,0,2,0, 127.168, 2
ref: mol2, SDF, SMILES, flexibase
2.25,1.34,-5.6,1,2,0, 127.168, 1
404747
 
#90

ChemMol: 44009956, 1034120, 1033547
eMolecules: 484118
L99A binders: MFCD00002187
L99A/M102Q binders: MFCD00002187
Molport: MolPort-001-784-012...78 total

ref: mol2, SDF, SMILES, flexibase
1.68,2.55,-5.55,1,2,0, 138.166, 2
13512224
 
#91

eMolecules: 515623
L99A/M102Q binders: MFCD00002185
Molport: MolPort-000-871-969
TCM Database @ Taiwan: tcm03_003580, 27427
Acros Organics: 12019...276 total

ref: mol2, SDF, SMILES, flexibase
1.30,1.63,-5.69,1,2,0, 124.139, 1
901022
 
#92

ChemMol: 98000227, 96707528, 1202475
eMolecules: 483922
L99A/M102Q binders: MFCD00002226
Molport: MolPort-019-369-022
TCM Database @ Taiwan: 26995...477 total

ref: mol2, SDF, SMILES, flexibase
2.33,2.39,-3.69,1,1,0, 108.14, 0
1706027
 
#93

ChemMol: 1033660, 1032357, 1033947
eMolecules: 475956
L99A/M102Q binders: MFCD00002249
Molport: MolPort-001-791-601
AK Scientific: U021...135 total

ref: mol2, SDF, SMILES, flexibase
2.79,3.13,-3.52,1,1,0, 122.167, 1

Similar to: 5688529, 6095286,
158233
 
#94

ChemMol: 1032343, 1033933, 44011746, 1033646, 30108720
eMolecules: 518993
L99A/M102Q binders: MFCD00060672
AK Scientific: I374
Alfa-Aesar: B25527...52 total

ref: mol2, SDF, SMILES, flexibase
2.98,2.91,-3.58,1,1,0, 142.585, 0

Similar to: 6093390, 32224146, 34380656, 39224992, 39259364, ... 6 in total.

Old detail retrieval took 2 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 234 ) limit 0,100

Smiles were