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

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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
160928
 
#3

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,
1591814
 
#4

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.
2037726
 
#5

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,
2013344
 
#6

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.
5138975
 
#7

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
 
#8

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,
1601799
 
#9

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
 
#10

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
 
#11

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
 
#12

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

ref: mol2, SDF, SMILES, flexibase
1.99,3.79,-3.44,0,1,0, 108.14, 1
3873647
 
#13

ChemMol: 1034029, 1032439, 1033741, 1202881, 98000463
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,
1648264
 
#14

L99A binders: DIETHYL-DISULFIDE
AKOS: AKOS015838958
Alfa-Aesar: L10065
Angene Building Blocks: AGN-PC-0JK8D6
Anward: ANW-16199...52 total

ref: mol2, SDF, SMILES, flexibase
2.09,1.32,-2.16,0,0,0, 122.258, 3
1674078
 
#15

L99A binders: DIISOPROPYL-DISULFID
Acros Organics: 12270
AK Scientific: W6227
Anward: ANW-29832
BePharm Building Blocks: B135272...26 total

ref: mol2, SDF, SMILES, flexibase
2.82,7.04,-2.31,0,0,0, 150.312, 3

Similar to: 5353880, 5761046,
14516984
 
#16

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,
1531084
 
#17

L99A binders: DIPROPYL-DISULFIDE
TCM Database @ Taiwan: tcm03_002582
Acros Organics: 23234
Alfa-Aesar: L09881
Angene Building Blocks: AGN-PC-0JKAK8...40 total

ref: mol2, SDF, SMILES, flexibase
3.10,1.5,-1.8,0,0,0, 150.312, 5

Similar to: 2383131,
1679161
 
#18

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
 
#19

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,
2169156
 
#20

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
1867127
 
#21

ChemMol: 1032408, 1202391, 1033710, 44021045
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
2575437
 
#22

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
 
#23

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,
1699444
 
#24

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
1598717
 
#25

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
1672846
 
#26

ChemMol: 44016200, 98000165, 1200716, 1035612
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
1699560
 
#27

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
1672847
 
#28

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
1699561
 
#29

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
1003750
 
#30

ChemMol: 30104228, 44003828, 1035597
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
967532
 
#31

ChemMol: 83601728
L99A binders: BENZENE
L99A/M102Q binders: BENZENE
Aldrich CPR: S458074|ALDRICH
Alfa-Aesar: 42265...2520 total

ref: mol2, SDF, SMILES, flexibase
1.94,4.49,-1.8,0,0,0, 78.114, 0
968270
 
#32

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

ref: mol2, SDF, SMILES, flexibase
2.85,5.93,-1.74,0,0,0, 106.168, 1
967759
 
#33

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
 
#34

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
 
#35

ChemMol: 44006420, 44026745
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
1699878
 
#36

ChemMol: 1035874, 1035751, 98000159
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
1566661
 
#37

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
 
#38

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
967522
 
#39

L99A binders: NAPHTHALENE
L99A/M102Q binders: NAPHTHALENE
Molport: MolPort-001-738-535
TCM Database @ Taiwan: tcm03_006138
Acros Organics: 18020...1285 total

ref: mol2, SDF, SMILES, flexibase
3.15,6.77,-3.52,0,0,0, 128.174, 0
1586756
 
#40

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
 
#41

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
 
#42

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
968282
 
#43

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
1680639
 
#44

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
968254
 
#45

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
1586757
 
#46

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
 
#47

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
 
#48

L99A binders: STYRENE
L99A/M102Q binders: STYRENE
Molport: MolPort-001-779-766
TCM Database @ Taiwan: tcm03_007956, 30849
Acros Organics: 13279...2161 total

ref: mol2, SDF, SMILES, flexibase
2.79,5.58,-2.28,0,0,0, 104.152, 1
967534
 
#49

CCP W191G non-binders: MFCD00008512
L99A binders: TOLUENE
L99A/M102Q binders: TOLUENE
TCM Database @ Taiwan: tcm03_005501, 28492, 42296
Acros Organics: 42455...2562 total

ref: mol2, SDF, SMILES, flexibase
2.39,5.16,-1.88,0,0,0, 92.141, 0
13950911
 
#50

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
1699964
 
#51

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
2012814
 
#52

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
13950913
 
#53

L99A binders: BROMOETHANE
L99A/M102Q binders: BROMOETHANE
Molport BB: MolPort-003-931-602
Sigma Aldrich (Building Blocks): 616516|ALDRICH, 389455|ALDRICH, 485810|ALDRICH, 491950|ALDRICH, 486035|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
13950914
 
#54

L99A binders: IODOETHANE
L99A/M102Q binders: IODOETHANE
Sigma Aldrich (Building Blocks): 486736|ALDRICH, 489778|ALDRICH, 324582|ALDRICH
AKOS BB (make-on-demand): AKOS015912868
PubChem: 59042202...15 total

ref: mol2, SDF, SMILES, flexibase
1.70,3.32,-1.08,0,0,0, 155.966, 0
1587815
 
#55

ChemMol: 1032512, 1033524, 30104871
L99A binders: MFCD00018946
Molport: MolPort-001-770-246
AKOS: AKOS000119920
Alfa-Aesar: L11345...55 total

ref: mol2, SDF, SMILES, flexibase
2.60,0.92,-4.81,0,1,0, 156.612, 3

Similar to: 32154934,
404747
 
#56

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
14438701
 
#57

L99A binders: MFCD00036490
American Custom Chemicals Corp.: FFG0000089
Angene Building Blocks: AGN-PC-0O919K
Apexmol Building Blocks: AM806738
Chembo Pharma: KB-49006...21 total

ref: mol2, SDF, SMILES, flexibase
1.77,5.02,-8.01,0,2,0, 128.171, 5

Similar to: 33842393, 34334318, 2010172,
901343
 
#58

ChemMol: 1202808, 98000795
eMolecules: 490695
L99A binders: MFCD00008283
Molport: MolPort-001-781-912, MolPort-002-501-810
Acros Organics: 12627...280 total

ref: mol2, SDF, SMILES, flexibase
1.80,3.3,-2.72,1,1,0, 107.156, 1
1692446
 
#59

ChemMol: 44006628
L99A binders: MFCD00005345
Molport: MolPort-001-768-826
Acros Organics: 12760
AK Scientific: W9812...100 total

ref: mol2, SDF, SMILES, flexibase
0.92,4.13,-3.84,0,1,0, 81.118, 0

Similar to: 38292281,
5863776
 
#60

L99A binders: bwm1995_1
AKOS: AKOS000351564
ChemDB: 7560737
PubChem: 141864
SureChEMBL: SCHEMBL5923896...7 total

ref: mol2, SDF, SMILES, flexibase
0.73,-2.23,-11.57,0,2,0, 134.2, 3

Similar to: 38282232,
163356
 
#61

ChemMol: 44033127, 30100995, 44028732
eMolecules: 495294
L99A binders: MFCD00010868
Molport: MolPort-001-757-096
AKOS: AKOS003235665...48 total

ref: mol2, SDF, SMILES, flexibase
2.33,1.36,-6.03,0,3,0, 169.205, 2

Similar to: 2164947, 2173119, 34558393,
15443126
 
#62

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,
25722643
 
#63

ChemMol: 44024075, 96700052
L99A binders: MFCD00004835
Acros Organics: 33492
Alfa-Aesar: L11253
Anward: ANW-22772...101 total

ref: mol2, SDF, SMILES, flexibase
2.35,5.22,-46.73,0,0,-1, 141.24, 0
lo: mol2, SDF, SMILES, flexibase
2.35,4.75,-3.41,0,0,0, 142.248, 0

Similar to: 39273829, 4521190,
13950915
 
#64

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
 
#65

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.
2242587
 
#66

ChemMol: 44001709, 1200087, 98000041, 1030150, 30101290
L99A binders: MFCD00000329
Acorn PharmaTech: ACN-S004558
Acros Organics: 30357
Alfa-Aesar: A17434...61 total

ref: mol2, SDF, SMILES, flexibase
2.88,5.95,-3.63,0,0,0, 207.017, 1
388506
 
#67

ChemMol: 1202226, 98000095
L99A binders: MFCD00000535
Molport: MolPort-000-872-043
Acros Organics: 11318, 32126, 22205, 44564, 39696
Alfa-Aesar: 42280...248 total

ref: mol2, SDF, SMILES, flexibase
3.25,5.47,-3.1,0,0,0, 147.004, 0
2022409
 
#68

ChemMol: 44009693, 1035778
L99A binders: MFCD00000286
Alfa-Aesar: A13948
Angene Building Blocks: AGN-PC-0JK974
Anward: ANW-28393...81 total

ref: mol2, SDF, SMILES, flexibase
2.54,4.82,-2.73,0,0,0, 168.064, 0
1627043
 
#69

eMolecules: 487222
L99A binders: bwm1
Acros Organics: 18607
AK Scientific: M173
AKOS: AKOS005622682...46 total

ref: mol2, SDF, SMILES, flexibase
3.15,5.3,-0.65,0,0,0, 202.509, 0
1583744
 
#70

ChemMol: 1035781, 44009731
L99A binders: bwm2
Acros Organics: 10722
AK Scientific: I141
AKOS: AKOS003652412...49 total

ref: mol2, SDF, SMILES, flexibase
3.28,5.4,-0.58,0,0,0, 246.96, 0
2563375
 
#71

L99A binders: 7270-50-0
Tetrahedron Building Blocks: TS31846
ChemDB: 7568102
Debye Scientific BB (Depleted): DB-055667
PubChem: 138971...10 total

ref: mol2, SDF, SMILES, flexibase
3.65,6.26,-0.62,0,0,0, 110.2, 3
1845644
 
#72

eMolecules: 477792
L99A binders: bwm3
Scientific Exchange (make on demand): X-068584
Acros Organics: 31220
AK Scientific: 0217AF...41 total

ref: mol2, SDF, SMILES, flexibase
3.55,5.84,-0.55,0,0,0, 293.96, 0
1701567
 
#73

eMolecules: 494456
L99A binders: MFCD00000587
AKOS: AKOS015850498
Alfa-Aesar: A16864
Apollo Scientific: PC7050...26 total

ref: mol2, SDF, SMILES, flexibase
4.17,6.14,-0.15,0,0,0, 235.419, 0

Old detail retrieval took 1 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 = 232 ) limit 0,100

Smiles were