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71405175
 
#1

Toslab Building Blocks: TOS-BB-0757
AKOS BB (make-on-demand): AKOS015959306
ref: mol2, SDF, SMILES, flexibase
2.41,7.91,-44.69,1,3,-1, 262.354, 6
mid: mol2, SDF, SMILES, flexibase
1.82,7.76,-19.33,1,3,0, 263.362, 7
71405174
 
#2

Chembo Pharma: KB-100449
Toslab Building Blocks: TOS-BB-1638
ref: mol2, SDF, SMILES, flexibase
1.84,6.55,-8.79,0,6,0, 290.298, 5
mid: mol2, SDF, SMILES, flexibase
1.84,6.55,-9.06,0,6,0, 290.298, 5
71405173
 
#3

Chembo Pharma: KB-88583
Toslab Building Blocks: TOS-BB-1637
ref: mol2, SDF, SMILES, flexibase
0.04,3.37,-11.04,0,5,0, 194.238, 3
mid: mol2, SDF, SMILES, flexibase
0.04,3.38,-11.95,0,5,0, 194.238, 3
71405172
 
#4

Chembo Pharma: KB-100088
Toslab Building Blocks: TOS-BB-1636
ref: mol2, SDF, SMILES, flexibase
1.45,4.61,-10.41,0,5,0, 227.289, 5
mid: mol2, SDF, SMILES, flexibase
1.45,4.05,-8.28,0,5,0, 227.289, 5
35142299
 
#5

Chembo Pharma: KB-91632
Mcule: MCULE-1049315731
Toslab: 880089
Toslab Building Blocks: TOS-BB-1614
AKOS (make-on-demand): AKOS003636037...5 total

ref: mol2, SDF, SMILES, flexibase
4.67,12.07,-59.22,1,4,-1, 436.269, 6
lo: mol2, SDF, SMILES, flexibase
4.67,10,-8.87,2,4,0, 437.277, 6
35142296
 
#6

Chembo Pharma: KB-91632
Mcule: MCULE-1049315731
Toslab: 880089
Toslab Building Blocks: TOS-BB-1614
AKOS (make-on-demand): AKOS003636037...5 total

ref: mol2, SDF, SMILES, flexibase
4.67,12.42,-53.83,1,4,-1, 436.269, 6
lo: mol2, SDF, SMILES, flexibase
4.67,10.45,-8.29,2,4,0, 437.277, 6
35142032
 
#7

Molport: MolPort-021-806-158
AKOS: AKOS003636185
Chembo Pharma: KB-97223
Mcule: MCULE-1109706143
Toslab: 880008...7 total

ref: mol2, SDF, SMILES, flexibase
4.76,11.73,-49.56,1,4,-1, 358.845, 6
lo: mol2, SDF, SMILES, flexibase
4.76,9.56,-9.1,2,4,0, 359.853, 6
35142029
 
#8

Molport: MolPort-021-806-158
AKOS: AKOS003636185
Chembo Pharma: KB-97223
Mcule: MCULE-1109706143
Toslab: 880008...7 total

ref: mol2, SDF, SMILES, flexibase
4.76,11.61,-60.4,1,4,-1, 358.845, 6
lo: mol2, SDF, SMILES, flexibase
4.76,9.59,-10.83,2,4,0, 359.853, 6
35142027
 
#9

Molport: MolPort-021-806-158
AKOS: AKOS003636185
Chembo Pharma: KB-97223
Mcule: MCULE-1109706143
Toslab: 880008...7 total

ref: mol2, SDF, SMILES, flexibase
4.76,12.18,-60.6,1,4,-1, 358.845, 6
lo: mol2, SDF, SMILES, flexibase
4.76,9.48,-8.58,2,4,0, 359.853, 6
35142024
 
#10

Molport: MolPort-021-806-158
AKOS: AKOS003636185
Chembo Pharma: KB-97223
Mcule: MCULE-1109706143
Toslab: 880008...7 total

ref: mol2, SDF, SMILES, flexibase
4.76,11.75,-49.17,1,4,-1, 358.845, 6
lo: mol2, SDF, SMILES, flexibase
4.76,9.66,-8.7,2,4,0, 359.853, 6
35141840
 
#11

eMolecules: 42777152
Molport: MolPort-021-806-144
AKOS: AKOS003635994
Chembo Pharma: KB-97246
Mcule: MCULE-1015657852...9 total

ref: mol2, SDF, SMILES, flexibase
3.69,10.56,-55.68,1,5,-1, 340.399, 8
lo: mol2, SDF, SMILES, flexibase
3.69,8.67,-14.96,2,5,0, 341.407, 8
35141838
 
#12

eMolecules: 42777152
Molport: MolPort-021-806-144
AKOS: AKOS003635994
Chembo Pharma: KB-97246
Mcule: MCULE-1015657852...9 total

ref: mol2, SDF, SMILES, flexibase
3.69,10.42,-62.07,1,5,-1, 340.399, 8
lo: mol2, SDF, SMILES, flexibase
3.69,8.66,-15.11,2,5,0, 341.407, 8
71405171
 
#13

Chembo Pharma: KB-97214
Mcule: MCULE-1310861189
Toslab: 879923
Toslab Building Blocks: TOS-BB-1607
PubChem: 53277771...6 total

ref: mol2, SDF, SMILES, flexibase
4.29,11.42,-58.63,1,4,-1, 422.242, 6
lo: mol2, SDF, SMILES, flexibase
4.29,9.75,-10.41,2,4,0, 423.25, 6
71405170
 
#14

Chembo Pharma: KB-97214
Mcule: MCULE-1310861189
Toslab: 879923
Toslab Building Blocks: TOS-BB-1607
PubChem: 53277771...6 total

ref: mol2, SDF, SMILES, flexibase
4.29,11.77,-53.49,1,4,-1, 422.242, 6
lo: mol2, SDF, SMILES, flexibase
4.29,9.79,-8.39,2,4,0, 423.25, 6
71405169
 
#15

Chembo Pharma: KB-100075
Toslab Building Blocks: TOS-BB-1589
AKOS BB (make-on-demand): AKOS015959429
PubChem: 46929729
ref: mol2, SDF, SMILES, flexibase
1.94,9.06,-8.04,0,4,0, 230.267, 4
71405168
 
#16

Chembo Pharma: KB-100056
Toslab Building Blocks: TOS-BB-1588
AKOS BB (make-on-demand): AKOS015959428
PubChem: 53399773
ref: mol2, SDF, SMILES, flexibase
1.67,7.56,-8.17,2,5,0, 249.245, 4
71405167
 
#17

Chembo Pharma: KB-100055
Toslab Building Blocks: TOS-BB-1587
AKOS BB (make-on-demand): AKOS015959427
PubChem: 53399772
ref: mol2, SDF, SMILES, flexibase
2.16,8.03,-9.96,2,5,0, 265.7, 4
71405166
 
#18

eMolecules: 46563419
Molport: MolPort-020-015-716
Mcule: MCULE-9223078798
Toslab Building Blocks: TOS-BB-1578
Vitas-M: STL221579...10 total

ref: mol2, SDF, SMILES, flexibase
1.79,6.59,-20.59,1,6,0, 326.333, 7
71405165
 
#19

Mcule: MCULE-4659389012
Toslab Building Blocks: TOS-BB-1576
AKOS BB (make-on-demand): AKOS015959618
PubChem: 66524067
Mcule Make-on-demand: MCULE-4659389012...5 total

ref: mol2, SDF, SMILES, flexibase
1.75,7.3,-20.53,1,9,0, 371.33, 8
71405164
 
#20

Toslab Building Blocks: TOS-BB-1572
AKOS BB (make-on-demand): AKOS015959607
PubChem: 66524065
ref: mol2, SDF, SMILES, flexibase
-1.22,9.44,-41.21,0,6,0, 312.354, 5
71405163
 
#21

Toslab Building Blocks: TOS-BB-1571
AKOS BB (make-on-demand): AKOS015959590
PubChem: 66524064
ref: mol2, SDF, SMILES, flexibase
4.83,9.35,-51.26,1,6,-1, 313.362, 7
71405162
 
#22

Toslab Building Blocks: TOS-BB-1570
AKOS BB (make-on-demand): AKOS015959589
PubChem: 66524063
ref: mol2, SDF, SMILES, flexibase
6.17,11.18,-37.08,5,6,1, 389.508, 8
lo: mol2, SDF, SMILES, flexibase
6.17,11.8,-96.35,6,6,2, 390.516, 8
71405161
 
#23

Chembo Pharma: KB-89716
Toslab Building Blocks: TOS-BB-1543
AKOS BB (make-on-demand): AKOS015959524
PubChem: 66524062
ref: mol2, SDF, SMILES, flexibase
-0.67,1.33,-9.2,4,8,0, 288.311, 2
71405160
 
#24

Toslab Building Blocks: TOS-BB-1536
AKOS BB (make-on-demand): AKOS015959498
PubChem: 66524059
ref: mol2, SDF, SMILES, flexibase
2.03,6.06,-41.62,0,8,-1, 301.16, 4
3984540
 
#25

eMolecules: 860789
Scientific Exchange (make on demand): T-070361
Asinex: BAS02239034
ChemBridge: 9000272
ChemDiv: 4393-0236...10 total

ref: mol2, SDF, SMILES, flexibase
0.19,3.06,-36.44,1,5,-1, 288.323, 2
mid: mol2, SDF, SMILES, flexibase
-0.40,-0.29,-11.98,1,5,0, 289.331, 3
mid: mol2, SDF, SMILES, flexibase
0.19,0.15,-15.8,2,5,0, 289.331, 3
lo: mol2, SDF, SMILES, flexibase
-0.40,-0.18,-49.14,2,5,1, 290.339, 3
lo: mol2, SDF, SMILES, flexibase
0.19,0.26,-49.31,3,5,1, 290.339, 3
lo: mol2, SDF, SMILES, flexibase
0.19,3.25,-30.6,2,5,0, 289.331, 2

Similar to: 12661085, 12661087, 53624165, 53624167, ... 5 in total.
3984539
 
#26

eMolecules: 860789
Scientific Exchange (make on demand): T-070361
Asinex: BAS02239034
ChemBridge: 9000272
ChemDiv: 4393-0236...10 total

ref: mol2, SDF, SMILES, flexibase
0.19,2.48,-49.24,1,5,-1, 288.323, 2
mid: mol2, SDF, SMILES, flexibase
-0.40,-0.33,-8.22,1,5,0, 289.331, 3
mid: mol2, SDF, SMILES, flexibase
0.19,-0.87,-32.2,2,5,0, 289.331, 3
lo: mol2, SDF, SMILES, flexibase
-0.40,-0.22,-43.81,2,5,1, 290.339, 3
lo: mol2, SDF, SMILES, flexibase
0.19,-0.76,-83.92,3,5,1, 290.339, 3
lo: mol2, SDF, SMILES, flexibase
0.19,3.16,-43.02,2,5,0, 289.331, 2

Similar to: 3984540, 12661085, 12661087, 53624165, 53624167, ... 5 in total.
3895353
 
#27

eMolecules: 860787
Scientific Exchange (make on demand): POD_01/0370
Aldrich CPR: S33864|ALDRICH
Innovapharm: STT-00137373
Princeton BioMolecular Research: OSSK_120478...13 total

ref: mol2, SDF, SMILES, flexibase
1.90,4.59,-41.24,1,4,-1, 287.335, 2
mid: mol2, SDF, SMILES, flexibase
1.31,0.69,-19.7,1,4,0, 288.343, 3
mid: mol2, SDF, SMILES, flexibase
1.31,0.5,-12.07,1,4,0, 288.343, 3

Similar to: 6419529, 16474997, 16475000, 39246033, 39246034, ... 7 in total.
49942702
 
#28

eMolecules: 849764
ChemBridge: 5789828
Toslab Building Blocks: TOS-BB-1439
Leadscope via PubChem: LS-136583
PubChem: 52330331...5 total

ref: mol2, SDF, SMILES, flexibase
4.32,13.24,-55.21,0,5,-1, 383.427, 5

Similar to: 37867972, 37867973, 37867974, 37867975, ... 4 in total.
49942701
 
#29

eMolecules: 849764
ChemBridge: 5789828
Toslab Building Blocks: TOS-BB-1439
Leadscope via PubChem: LS-136583
PubChem: 52330329...5 total

ref: mol2, SDF, SMILES, flexibase
4.32,12.97,-56,0,5,-1, 383.427, 5
mid: mol2, SDF, SMILES, flexibase
4.32,11.95,-42.6,0,5,-1, 383.427, 5

Similar to: 37867972, 37867973, 37867974, 37867975, ... 4 in total.
71405159
 
#30

Molport: MolPort-020-015-706
Chembo Pharma: KB-90142
Molport BB: MolPort-020-015-706
Toslab Building Blocks: TOS-BB-1322
PubChem: 67768536...13 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.8,-45.18,0,4,-1, 179.18, 1
49588700
 
#31

ChemMol: 44013398
eMolecules: 705530, 32785083, 710450
Molport: MolPort-002-344-157, MolPort-010-699-826
Scientific Exchange Building Blocks: E-021034
ACB Blocks: TOS-0080...72 total

ref: mol2, SDF, SMILES, flexibase
-0.12,2.7,-7.85,0,4,0, 171.196, 2
37916230
 
#32

eMolecules: 5533173
Molport: MolPort-003-085-048
Aldrich CPR: CDS017862|ALDRICH
Chembo Pharma: KB-89491
Life Chemicals: F1912-0024...17 total

ref: mol2, SDF, SMILES, flexibase
1.62,-0.78,-127.75,0,6,-2, 246.222, 3
mid: mol2, SDF, SMILES, flexibase
1.16,1.96,-44.26,1,6,-1, 247.23, 3
13569138
 
#33

eMolecules: 24567218, 36737470, 5533179
Molport: MolPort-005-911-553, MolPort-003-085-050
Chembo Pharma: KB-89343
IBScreen: STOCK6S-22061
Life Chemicals: F1912-0068...21 total

ref: mol2, SDF, SMILES, flexibase
2.06,0.64,-121.75,0,5,-2, 230.223, 1
mid: mol2, SDF, SMILES, flexibase
1.60,3.17,-39.57,1,5,-1, 231.231, 1

Similar to: 31560286, 34132848,
6054306
 
#34

eMolecules: 857752
Scientific Exchange (make on demand): C-023109, POD_20/0180
Asinex: BAS02591123
Chembo Pharma: KB-82836
ChemBridge: 5394458...27 total

ref: mol2, SDF, SMILES, flexibase
1.47,-0.49,-119.24,0,5,-2, 216.196, 1
mid: mol2, SDF, SMILES, flexibase
1.02,2.26,-39.05,1,5,-1, 217.204, 1
71405158
 
#35

AKOS: AKOS000287588
Toslab Building Blocks: TOS-BB-0505
AKOS BB (make-on-demand): AKOS000287588
ChemDB: 7151754
PubChem: 2771384...5 total

ref: mol2, SDF, SMILES, flexibase
0.75,13.16,-49.46,1,8,-1, 305.362, 5
mid: mol2, SDF, SMILES, flexibase
0.75,13.49,-32.98,2,8,0, 306.37, 5
mid: mol2, SDF, SMILES, flexibase
0.75,13.55,-42.4,2,8,0, 306.37, 5
71405157
 
#36

AKOS: AKOS000287588
Toslab Building Blocks: TOS-BB-0505
AKOS BB (make-on-demand): AKOS000287588
ChemDB: 7151754
PubChem: 2771384...5 total

ref: mol2, SDF, SMILES, flexibase
0.75,13.19,-49.23,1,8,-1, 305.362, 5
mid: mol2, SDF, SMILES, flexibase
0.75,13.52,-42.68,2,8,0, 306.37, 5
mid: mol2, SDF, SMILES, flexibase
0.75,13.47,-33.16,2,8,0, 306.37, 5
19866181
 
#37

eMolecules: 25811817
Molport: MolPort-001-956-886
Scientific Exchange (make on demand): K-095186
AKOS: AKOS000112198
American Custom Chemicals Corp.: HCH0129505...23 total

ref: mol2, SDF, SMILES, flexibase
0.31,7.59,-46.52,0,4,-1, 209.152, 4
56659230
 
#38

Chembo Pharma: KB-98839
Chemstep: 7221
Toslab Building Blocks: TOS-BB-0135
ref: mol2, SDF, SMILES, flexibase
-1.36,0.34,-15.69,4,4,0, 157.222, 2
hi: mol2, SDF, SMILES, flexibase
-1.36,-0.13,-15.01,3,4,0, 156.214, 2
57469880
 
#39

Molport: MolPort-001-763-669
Asinex: BAS00291727
Chembo Pharma: KB-193565, KB-99267
Chemstep: 4931
Toslab: 25090...10 total

71405156
 
#40

Toslab Building Blocks: TOS-BB-0095
ref: mol2, SDF, SMILES, flexibase
2.61,7.02,-25.9,4,6,0, 397.455, 4
hi: mol2, SDF, SMILES, flexibase
2.61,6.59,-23.44,3,6,0, 396.447, 4
71405155
 
#41

Toslab Building Blocks: TOS-BB-0095
ref: mol2, SDF, SMILES, flexibase
2.61,6.73,-39.33,4,6,0, 397.455, 4
hi: mol2, SDF, SMILES, flexibase
2.61,6.3,-38.66,3,6,0, 396.447, 4
71405154
 
#42

Toslab Building Blocks: TOS-BB-0095
ref: mol2, SDF, SMILES, flexibase
2.61,7.19,-26.79,4,6,0, 397.455, 4
hi: mol2, SDF, SMILES, flexibase
2.61,6.77,-23.67,3,6,0, 396.447, 4
71405153
 
#43

Toslab Building Blocks: TOS-BB-0095
ref: mol2, SDF, SMILES, flexibase
2.61,7.31,-35.47,4,6,0, 397.455, 4
hi: mol2, SDF, SMILES, flexibase
2.61,6.9,-33.87,3,6,0, 396.447, 4
56635665
 
#44

Toslab Building Blocks: TOS-BB-0094
ref: mol2, SDF, SMILES, flexibase
0.68,5.67,-55.57,3,5,1, 319.385, 2
mid: mol2, SDF, SMILES, flexibase
0.68,5.25,-31.2,2,5,0, 318.377, 2
56635664
 
#45

Toslab Building Blocks: TOS-BB-0094
ref: mol2, SDF, SMILES, flexibase
0.68,5.29,-54.47,3,5,1, 319.385, 2
mid: mol2, SDF, SMILES, flexibase
0.68,4.87,-31.91,2,5,0, 318.377, 2
71405152
 
#46

Toslab Building Blocks: TOS-BB-0094
ref: mol2, SDF, SMILES, flexibase
0.68,5.6,-26.28,3,5,0, 319.385, 2
mid: mol2, SDF, SMILES, flexibase
0.68,5.2,-23.45,2,5,0, 318.377, 2
56635662
 
#47

Toslab Building Blocks: TOS-BB-0094
ref: mol2, SDF, SMILES, flexibase
0.68,6.15,-56.87,3,5,1, 319.385, 2
mid: mol2, SDF, SMILES, flexibase
0.68,5.75,-29.52,2,5,0, 318.377, 2
56687955
 
#48

Toslab Building Blocks: TOS-BB-0092
ref: mol2, SDF, SMILES, flexibase
-0.24,1.89,-52.43,5,5,1, 279.37, 2
mid: mol2, SDF, SMILES, flexibase
-0.24,1.48,-27.71,4,5,0, 278.362, 2
hi: mol2, SDF, SMILES, flexibase
0.08,0.39,-37.09,3,5,0, 277.354, 2
hi: mol2, SDF, SMILES, flexibase
0.08,0.58,-35.42,3,5,0, 277.354, 2
56687954
 
#49

Toslab Building Blocks: TOS-BB-0092
ref: mol2, SDF, SMILES, flexibase
-0.24,1.21,-48.53,5,5,1, 279.37, 2
mid: mol2, SDF, SMILES, flexibase
-0.24,0.8,-30.27,4,5,0, 278.362, 2
hi: mol2, SDF, SMILES, flexibase
0.08,0.08,-25.74,3,5,0, 277.354, 2
hi: mol2, SDF, SMILES, flexibase
0.08,0.28,-23.54,3,5,0, 277.354, 2
71405151
 
#50

Toslab Building Blocks: TOS-BB-0092
ref: mol2, SDF, SMILES, flexibase
-0.24,1.92,-22.79,5,5,0, 279.37, 2
mid: mol2, SDF, SMILES, flexibase
-0.24,1.5,-19.75,4,5,0, 278.362, 2
hi: mol2, SDF, SMILES, flexibase
0.08,0.31,-26.78,3,5,0, 277.354, 2
hi: mol2, SDF, SMILES, flexibase
0.08,-0.05,-29.01,3,5,0, 277.354, 2
56687952
 
#51

Toslab Building Blocks: TOS-BB-0092
ref: mol2, SDF, SMILES, flexibase
-0.24,2.18,-40.06,5,5,1, 279.37, 2
mid: mol2, SDF, SMILES, flexibase
-0.24,1.77,-17.2,4,5,0, 278.362, 2
hi: mol2, SDF, SMILES, flexibase
0.08,0.35,-23.06,3,5,0, 277.354, 2
hi: mol2, SDF, SMILES, flexibase
0.08,0.48,-22.26,3,5,0, 277.354, 2
71405150
 
#52

Toslab Building Blocks: TOS-BB-0091
ref: mol2, SDF, SMILES, flexibase
2.86,8.32,-23.36,4,5,0, 363.466, 3
hi: mol2, SDF, SMILES, flexibase
2.86,7.9,-20.87,3,5,0, 362.458, 3
71405149
 
#53

Toslab Building Blocks: TOS-BB-0091
ref: mol2, SDF, SMILES, flexibase
2.86,8.03,-32.95,4,5,0, 363.466, 3
hi: mol2, SDF, SMILES, flexibase
2.86,7.61,-32.16,3,5,0, 362.458, 3
71405148
 
#54

Toslab Building Blocks: TOS-BB-0091
ref: mol2, SDF, SMILES, flexibase
2.86,8.49,-24.12,4,5,0, 363.466, 3
hi: mol2, SDF, SMILES, flexibase
2.86,8.08,-20.93,3,5,0, 362.458, 3
71405147
 
#55

Toslab Building Blocks: TOS-BB-0091
ref: mol2, SDF, SMILES, flexibase
2.86,8.62,-30.11,4,5,0, 363.466, 3
hi: mol2, SDF, SMILES, flexibase
2.86,8.2,-28.46,3,5,0, 362.458, 3
56705571
 
#56

Toslab Building Blocks: TOS-BB-0090
ref: mol2, SDF, SMILES, flexibase
0.52,5.6,-51.11,3,5,1, 301.395, 2
mid: mol2, SDF, SMILES, flexibase
0.52,5.18,-28.87,2,5,0, 300.387, 2
56705568
 
#57

Toslab Building Blocks: TOS-BB-0090
ref: mol2, SDF, SMILES, flexibase
0.52,5.22,-49.62,3,5,1, 301.395, 2
mid: mol2, SDF, SMILES, flexibase
0.52,4.8,-29.67,2,5,0, 300.387, 2
56705565
 
#58

Toslab Building Blocks: TOS-BB-0090
ref: mol2, SDF, SMILES, flexibase
0.52,5.53,-49.63,3,5,1, 301.395, 2
mid: mol2, SDF, SMILES, flexibase
0.52,5.14,-22.45,2,5,0, 300.387, 2
56705562
 
#59

Toslab Building Blocks: TOS-BB-0090
ref: mol2, SDF, SMILES, flexibase
0.52,6.09,-51.96,3,5,1, 301.395, 2
mid: mol2, SDF, SMILES, flexibase
0.52,5.7,-27.46,2,5,0, 300.387, 2
56635706
 
#60

Toslab Building Blocks: TOS-BB-0088
BindingDB.org: 61667
ChEMBL12: CHEMBL1364395
ChEMBL19: CHEMBL1364395
Collaborative Drug Discovery: 302418...6 total

ref: mol2, SDF, SMILES, flexibase
0.71,4.26,-48.2,4,5,1, 287.368, 2
mid: mol2, SDF, SMILES, flexibase
0.71,3.84,-19.68,3,5,0, 286.36, 2
56635705
 
#61

Toslab Building Blocks: TOS-BB-0088
BindingDB.org: 61667
ChEMBL12: CHEMBL1364395
ChEMBL19: CHEMBL1364395
Collaborative Drug Discovery: 302418...6 total

ref: mol2, SDF, SMILES, flexibase
0.71,3.42,-50.86,4,5,1, 287.368, 2
mid: mol2, SDF, SMILES, flexibase
0.71,3,-30.97,3,5,0, 286.36, 2
56635704
 
#62

Toslab Building Blocks: TOS-BB-0088
BindingDB.org: 61667
ChEMBL12: CHEMBL1364395
ChEMBL19: CHEMBL1364395
Collaborative Drug Discovery: 302418...6 total

ref: mol2, SDF, SMILES, flexibase
0.71,4.31,-50.39,4,5,1, 287.368, 2
mid: mol2, SDF, SMILES, flexibase
0.71,3.89,-19.48,3,5,0, 286.36, 2
56635703
 
#63

Toslab Building Blocks: TOS-BB-0088
BindingDB.org: 61667
ChEMBL12: CHEMBL1364395
ChEMBL19: CHEMBL1364395
Collaborative Drug Discovery: 302418...6 total

ref: mol2, SDF, SMILES, flexibase
0.71,4.57,-52.05,4,5,1, 287.368, 2
mid: mol2, SDF, SMILES, flexibase
0.71,4.15,-27.33,3,5,0, 286.36, 2
54954669
 
#64

eMolecules: 719704
Molport: MolPort-001-757-884
Acros Organics: 38276
Aldrich CPR: CDS004651|ALDRICH
Anward: ANW-59423...36 total

20027329
 
#65

Chembo Pharma: KB-92092
Mcule: MCULE-7880778304
Toslab: 880258
Toslab Building Blocks: TOS-BB-1633
PubChem: 28559270...8 total

ref: mol2, SDF, SMILES, flexibase
4.36,10.34,-55.24,1,4,-1, 384.761, 7
lo: mol2, SDF, SMILES, flexibase
4.36,9.21,-16.92,2,4,0, 385.769, 7
20027328
 
#66

Chembo Pharma: KB-92092
Mcule: MCULE-7880778304
Toslab: 880258
Toslab Building Blocks: TOS-BB-1633
PubChem: 28559268...8 total

ref: mol2, SDF, SMILES, flexibase
4.36,10.35,-55.42,1,4,-1, 384.761, 7
lo: mol2, SDF, SMILES, flexibase
4.36,9.22,-16.99,2,4,0, 385.769, 7
5277192
 
#67

eMolecules: 2342635
Molport: MolPort-002-140-211
Chembo Pharma: KB-97207
ChemBridge: 5255843
Mcule: MCULE-9034883515...15 total

ref: mol2, SDF, SMILES, flexibase
4.43,1.98,-60.12,1,4,-1, 324.4, 6

Similar to: 5744910, 5744913, 3191754, 5277190, 5277191, ... 5 in total.
5277190
 
#68

eMolecules: 2342635
Molport: MolPort-002-140-211
Chembo Pharma: KB-97207
ChemBridge: 5255843
Mcule: MCULE-9034883515...15 total

ref: mol2, SDF, SMILES, flexibase
4.43,1.95,-61.53,1,4,-1, 324.4, 6

Similar to: 5277191, 5277192, 5744910, 5744913, ... 5 in total.
5277191
 
#69

eMolecules: 2342635
Molport: MolPort-002-140-211
Chembo Pharma: KB-97207
ChemBridge: 5255843
Mcule: MCULE-9034883515...15 total

ref: mol2, SDF, SMILES, flexibase
4.43,2.15,-61.19,1,4,-1, 324.4, 6

Similar to: 5277192, 5744910, 5744913,
3191754
 
#70

eMolecules: 2342635
Molport: MolPort-002-140-211
Chembo Pharma: KB-97207
ChemBridge: 5255843
Mcule: MCULE-9034883515...15 total

ref: mol2, SDF, SMILES, flexibase
4.43,1.98,-60.14,1,4,-1, 324.4, 6

Similar to: 5277190, 5277191, 5277192, 5744910, 5744913, ... 5 in total.
5744913
 
#71

eMolecules: 8299716
Molport: MolPort-004-948-921
Chembo Pharma: KB-93661
Mcule: MCULE-8805296660
Toslab: 880256...13 total

ref: mol2, SDF, SMILES, flexibase
3.63,1.51,-64.33,1,4,-1, 310.373, 6

Similar to: 5277191, 5277190, 3191754, 5277192, 4828032, ... 8 in total.
5744910
 
#72

eMolecules: 8299716
Molport: MolPort-004-948-921
Chembo Pharma: KB-93661
Mcule: MCULE-8805296660
Toslab: 880256...13 total

ref: mol2, SDF, SMILES, flexibase
3.63,1.54,-61.73,1,4,-1, 310.373, 6

Similar to: 5277191, 5277190, 3191754, 5277192, 4828032, ... 8 in total.
35481
 
#73

eMolecules: 4420555
Molport: MolPort-002-507-031
Chembo Pharma: KB-92486
IBScreen: STOCK2S-06147
IBScreen BuildingBlocks: BB_NC-00406...20 total

ref: mol2, SDF, SMILES, flexibase
-0.18,3.81,-129.63,0,5,-2, 186.163, 4

Similar to: 35482, 2077925, 35479,
35482
 
#74

eMolecules: 4420555
Molport: MolPort-002-507-031
Chembo Pharma: KB-92486
IBScreen: STOCK2S-06147
IBScreen BuildingBlocks: BB_NC-00406...20 total

ref: mol2, SDF, SMILES, flexibase
-0.18,2.96,-121.89,0,5,-2, 186.163, 4

Similar to: 2077925, 35479, 35481,
35479
 
#75

eMolecules: 4420555
Molport: MolPort-002-507-031
Chembo Pharma: KB-92486
IBScreen: STOCK2S-06147
IBScreen BuildingBlocks: BB_NC-00406...20 total

ref: mol2, SDF, SMILES, flexibase
-0.18,3.11,-125.11,0,5,-2, 186.163, 4

Similar to: 35481, 35482, 2077925,
2077925
 
#76

eMolecules: 4420555
Molport: MolPort-002-507-031
Chembo Pharma: KB-92486
IBScreen: STOCK2S-06147
IBScreen BuildingBlocks: BB_NC-00406...20 total

ref: mol2, SDF, SMILES, flexibase
-0.18,3.73,-129.25,0,5,-2, 186.163, 4

Similar to: 35479, 35481, 35482,
5548033
 
#77

Chembo Pharma: KB-91827
Mcule: MCULE-7843251643
Toslab: 880250
Toslab Building Blocks: TOS-BB-1625
ChemDB: 5773757...7 total

ref: mol2, SDF, SMILES, flexibase
3.19,1.63,-56.94,1,7,-1, 341.343, 7
5548028
 
#78

Chembo Pharma: KB-91827
Mcule: MCULE-7843251643
Toslab: 880250
Toslab Building Blocks: TOS-BB-1625
ChemDB: 5773757...7 total

ref: mol2, SDF, SMILES, flexibase
3.19,1.48,-61.07,1,7,-1, 341.343, 7
4828038
 
#79

eMolecules: 2013060
Molport: MolPort-002-112-265
Chembo Pharma: KB-92091
ChemBridge: 5255840
IBScreen: STOCK1S-44375...16 total

ref: mol2, SDF, SMILES, flexibase
4.31,1.4,-57.18,1,4,-1, 344.818, 6

Similar to: 5744910, 5744913, 5921540,
4828032
 
#80

eMolecules: 2013060
Molport: MolPort-002-112-265
Chembo Pharma: KB-92091
ChemBridge: 5255840
IBScreen: STOCK1S-44375...16 total

ref: mol2, SDF, SMILES, flexibase
4.31,1.5,-56.89,1,4,-1, 344.818, 6

Similar to: 4828038, 5744910, 5744913, 5921540, ... 4 in total.
3191739
 
#81

eMolecules: 14073134
Molport: MolPort-007-550-266
AKOS: AKOS001600754
ChemDiv: 1482-0039
Mcule: MCULE-3016736891...10 total

ref: mol2, SDF, SMILES, flexibase
6.62,2.53,-46.65,0,2,-1, 289.439, 12

Similar to: 3191741, 4803586, 34318828, 34318831, 36468885, ... 7 in total.
4728587
 
#82

eMolecules: 1174224
Molport: MolPort-001-886-120
AKOS: AKOS000620505
American Custom Chemicals Corp.: CCH0007933
Asinex: BAS00216131...23 total

ref: mol2, SDF, SMILES, flexibase
2.05,8.39,-126.3,0,4,-2, 220.224, 5
mid: mol2, SDF, SMILES, flexibase
2.05,6.4,-53.91,1,4,-1, 221.232, 5
lo: mol2, SDF, SMILES, flexibase
2.05,6.48,-43.55,1,4,-1, 221.232, 5

Similar to: 25495253, 25495257, 25495261, 25495265, ... 4 in total.
4728586
 
#83

eMolecules: 1174224
Molport: MolPort-001-886-120
AKOS: AKOS000620505
American Custom Chemicals Corp.: CCH0007933
Asinex: BAS00216131...23 total

ref: mol2, SDF, SMILES, flexibase
2.05,8.41,-126.09,0,4,-2, 220.224, 5
mid: mol2, SDF, SMILES, flexibase
2.05,6.41,-51.81,1,4,-1, 221.232, 5
lo: mol2, SDF, SMILES, flexibase
2.05,6.55,-43.25,1,4,-1, 221.232, 5

Similar to: 25495253, 25495257, 25495261, 25495265, ... 4 in total.
4728585
 
#84

eMolecules: 1174224
Molport: MolPort-001-886-120
AKOS: AKOS000620505
American Custom Chemicals Corp.: CCH0007877
Asinex: BAS00216131...24 total

ref: mol2, SDF, SMILES, flexibase
2.05,8.41,-124.19,0,4,-2, 220.224, 5
mid: mol2, SDF, SMILES, flexibase
2.05,6.43,-48.54,1,4,-1, 221.232, 5
lo: mol2, SDF, SMILES, flexibase
2.05,6.55,-43.24,1,4,-1, 221.232, 5

Similar to: 25495253, 25495257, 25495261, 25495265, ... 4 in total.
4728584
 
#85

eMolecules: 1174224
Molport: MolPort-001-886-120
AKOS: AKOS000620505
American Custom Chemicals Corp.: CCH0007877
Asinex: BAS00216131...24 total

ref: mol2, SDF, SMILES, flexibase
2.05,8.36,-124.09,0,4,-2, 220.224, 5
mid: mol2, SDF, SMILES, flexibase
2.05,6.38,-50.45,1,4,-1, 221.232, 5
lo: mol2, SDF, SMILES, flexibase
2.05,6.48,-43.57,1,4,-1, 221.232, 5

Similar to: 25495253, 25495257, 25495261, 25495265, ... 4 in total.
3881512
 
#86

eMolecules: 1172246
AKOS: AKOS000620407
IBScreen BuildingBlocks: BB_NC-00405
IBScreen NP: STOCK1N-08068
Mcule: MCULE-1006879894...18 total

ref: mol2, SDF, SMILES, flexibase
3.77,-0.23,-47.7,0,4,-1, 271.377, 11

Similar to: 5820455, 5820456, 5820568, 5820569, 34957371, ... 7 in total.
3881511
 
#87

eMolecules: 1172246
AKOS: AKOS000620407
IBScreen BuildingBlocks: BB_NC-00405
IBScreen NP: STOCK1N-08068
Mcule: MCULE-1006879894...18 total

ref: mol2, SDF, SMILES, flexibase
3.77,-0.23,-47.7,0,4,-1, 271.377, 11

Similar to: 3881512, 5820455, 5820456, 5820568, 5820569, ... 7 in total.
3191741
 
#88

eMolecules: 14073136
Molport: MolPort-007-550-268
AKOS: AKOS001600782
ChemDiv: 1482-0045
Mcule: MCULE-8180374148...10 total

ref: mol2, SDF, SMILES, flexibase
7.02,2.85,-46.72,0,2,-1, 303.466, 12

Similar to: 4803586, 34318828, 34318831, 36468885, 38438167, ... 7 in total.
1719609
 
#89

eMolecules: 7452521
Molport: MolPort-007-550-270
AKOS: AKOS001600538
ChemDiv: 1482-0077
Mcule: MCULE-3361905592...16 total

ref: mol2, SDF, SMILES, flexibase
6.64,2.53,-46.62,0,2,-1, 289.439, 12

Similar to: 4557319, 34345034, 34484151, 34518655, ... 4 in total.
249146
 
#90

AKOS: AKOS000620703
Asinex: BAS05307622
Chembo Pharma: KB-98422
Mcule: MCULE-6726495558
TimTec: ST51179658...17 total

ref: mol2, SDF, SMILES, flexibase
2.25,7.5,-46.68,1,5,-1, 330.282, 6
lo: mol2, SDF, SMILES, flexibase
2.25,5.5,-9.82,2,5,0, 331.29, 6

Similar to: 35899744, 35899745,
249143
 
#91

AKOS: AKOS000620703
Asinex: BAS05307622
Chembo Pharma: KB-98422
Mcule: MCULE-6726495558
TimTec: ST51179658...17 total

ref: mol2, SDF, SMILES, flexibase
2.25,7.14,-58.38,1,5,-1, 330.282, 6
lo: mol2, SDF, SMILES, flexibase
2.25,5.15,-16.73,2,5,0, 331.29, 6
249152
 
#92

AKOS: AKOS000620703
Asinex: BAS05307622
Chembo Pharma: KB-98422
Mcule: MCULE-6726495558
TimTec: ST51179658...17 total

ref: mol2, SDF, SMILES, flexibase
2.25,7.28,-50.79,1,5,-1, 330.282, 6
lo: mol2, SDF, SMILES, flexibase
2.25,5.29,-11.75,2,5,0, 331.29, 6
249150
 
#93

AKOS: AKOS000620703
Asinex: BAS05307622
Chembo Pharma: KB-98422
Mcule: MCULE-6726495558
TimTec: ST51179658...17 total

ref: mol2, SDF, SMILES, flexibase
2.25,7.58,-44.29,1,5,-1, 330.282, 6
lo: mol2, SDF, SMILES, flexibase
2.25,5.6,-9.16,2,5,0, 331.29, 6
36378
 
#94

eMolecules: 1467186
Molport: MolPort-001-520-491
AKOS: AKOS003593454
BioBlocks: A2796/0118159
Chembo Pharma: KB-97224...19 total

ref: mol2, SDF, SMILES, flexibase
2.41,-0.2,-51.76,1,5,-1, 310.757, 5

Similar to: 36379, 36380, 36377,
36377
 
#95

eMolecules: 1467186
Molport: MolPort-001-520-491
AKOS: AKOS003593454
BioBlocks: A2796/0118159
Chembo Pharma: KB-97224...19 total

ref: mol2, SDF, SMILES, flexibase
2.41,-0.8,-53.09,1,5,-1, 310.757, 5

Similar to: 36378, 36379, 36380,
36380
 
#96

eMolecules: 1467186
Molport: MolPort-001-520-491
AKOS: AKOS003593454
BioBlocks: A2796/0118159
Chembo Pharma: KB-97224...19 total

ref: mol2, SDF, SMILES, flexibase
2.41,-0.79,-44.66,1,5,-1, 310.757, 5

Similar to: 36377, 36378, 36379,
36379
 
#97

eMolecules: 1467186
Molport: MolPort-001-520-491
AKOS: AKOS003593454
BioBlocks: A2796/0118159
Chembo Pharma: KB-97224...19 total

ref: mol2, SDF, SMILES, flexibase
2.41,-0.53,-49.65,1,5,-1, 310.757, 5

Similar to: 36380, 36377, 36378,
2334851
 
#98

eMolecules: 4685568
Molport: MolPort-002-644-313
AKOS: AKOS003635983
Chembo Pharma: KB-97249
IBScreen: STOCK5S-50776...18 total

ref: mol2, SDF, SMILES, flexibase
1.54,6.54,-48.34,1,5,-1, 280.275, 5
lo: mol2, SDF, SMILES, flexibase
1.54,4.67,-9.63,2,5,0, 281.283, 5
2334850
 
#99

eMolecules: 4685568
Molport: MolPort-002-644-313
AKOS: AKOS003635983
Chembo Pharma: KB-97249
IBScreen: STOCK5S-50776...18 total

ref: mol2, SDF, SMILES, flexibase
1.54,6.19,-53.06,1,5,-1, 280.275, 5
lo: mol2, SDF, SMILES, flexibase
1.54,4.7,-11.5,2,5,0, 281.283, 5
2334856
 
#100

eMolecules: 4685568
Molport: MolPort-002-644-313
AKOS: AKOS003635983
Chembo Pharma: KB-97249
IBScreen: STOCK5S-50776...18 total

ref: mol2, SDF, SMILES, flexibase
1.54,6.33,-53.62,1,5,-1, 280.275, 5
lo: mol2, SDF, SMILES, flexibase
1.54,3.58,-7.88,2,5,0, 281.283, 5

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 = 347 ) limit 0,100

Smiles were