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

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2534419
 
#1

BioSynth: W-109129
Tetrahedron Building Blocks: TS66406
AK Scientific (Depleted): S804
AKOS BB (make-on-demand): AKOS015903159
BOC Sciences BB (Depleted): 2157-19-9...7 total

ref: mol2, SDF, SMILES, flexibase
3.28,2.41,-3.92,2,2,0, 360.879, 2
3096234
 
#2

BioSynth: W-109129
Tetrahedron Building Blocks: TS66406
AK Scientific (Depleted): S804
AKOS BB (make-on-demand): AKOS015903159
BOC Sciences BB (Depleted): 2157-19-9...7 total

ref: mol2, SDF, SMILES, flexibase
3.28,2.21,-3.86,2,2,0, 360.879, 2
1718502
 
#3

BioSynth: W-109129
Tetrahedron Building Blocks: TS66406
AK Scientific (Depleted): S804
AKOS BB (make-on-demand): AKOS015903159
BOC Sciences BB (Depleted): 2157-19-9...7 total

ref: mol2, SDF, SMILES, flexibase
3.28,2.16,-3.86,2,2,0, 360.879, 2

Similar to: 3096235,
3096235
 
#4

BioSynth: W-109129
NCI Plated 2007: 11682, 41892
Tetrahedron Building Blocks: TS66406
AK Scientific (Depleted): S804
AKOS BB (make-on-demand): AKOS015903159...9 total

ref: mol2, SDF, SMILES, flexibase
3.28,2.25,-5.42,2,2,0, 360.879, 2

Similar to: 1718502,
71129903
 
#5

UMBBD: c1203
ref: mol2, SDF, SMILES, flexibase
4.04,7.14,-30.11,0,1,-1, 341.856, 0
71129900
 
#6

UMBBD: c1203
ref: mol2, SDF, SMILES, flexibase
4.04,6.96,-30.02,0,1,-1, 341.856, 0
71129898
 
#7

UMBBD: c1204
ref: mol2, SDF, SMILES, flexibase
1.80,4.81,-37.05,0,4,-1, 421.92, 3
71129897
 
#8

UMBBD: c1204
ref: mol2, SDF, SMILES, flexibase
1.80,4.98,-36.04,0,4,-1, 421.92, 3
71129894
 
#9

UMBBD: c1205
ref: mol2, SDF, SMILES, flexibase
4.13,5.59,-2.36,1,1,0, 342.864, 1
71129893
 
#10

UMBBD: c1205
ref: mol2, SDF, SMILES, flexibase
4.13,5.76,-2.54,1,1,0, 342.864, 1
71129890
 
#11

UMBBD: c1206
ref: mol2, SDF, SMILES, flexibase
4.39,7.13,-1.82,0,1,0, 342.864, 0
71129887
 
#12

UMBBD: c1207
ref: mol2, SDF, SMILES, flexibase
3.12,7.84,-5.51,0,2,0, 356.847, 0
25724595
 
#13

UMBBD: c1207
ref: mol2, SDF, SMILES, flexibase
3.12,7.85,-6.74,0,2,0, 356.847, 0
2534460
 
#14

Tetrahedron Building Blocks: TS79368
UMBBD: c1207
ref: mol2, SDF, SMILES, flexibase
3.12,8.12,-6.56,0,2,0, 356.847, 0
25724601
 
#15

UMBBD: c1207
ref: mol2, SDF, SMILES, flexibase
3.12,7.79,-5.37,0,2,0, 356.847, 0
71129877
 
#16

UMBBD: c1209
ref: mol2, SDF, SMILES, flexibase
3.16,5.68,-34.71,1,3,-1, 373.854, 2
71129874
 
#17

UMBBD: c1209
ref: mol2, SDF, SMILES, flexibase
3.16,5.36,-38.85,1,3,-1, 373.854, 2
71129872
 
#18

UMBBD: c1209
ref: mol2, SDF, SMILES, flexibase
3.16,5.48,-39.29,1,3,-1, 373.854, 2
71129870
 
#19

UMBBD: c1209
ref: mol2, SDF, SMILES, flexibase
3.16,5.56,-32.46,1,3,-1, 373.854, 2
71129868
 
#20

UMBBD: c1275
ref: mol2, SDF, SMILES, flexibase
-1.58,0.75,-110.39,2,6,-2, 198.13, 2
71129865
 
#21

UMBBD: c1275
ref: mol2, SDF, SMILES, flexibase
-1.58,0.41,-106.43,2,6,-2, 198.13, 2
71129864
 
#22

UMBBD: c1275
ref: mol2, SDF, SMILES, flexibase
-1.58,0.41,-106.39,2,6,-2, 198.13, 2
71129861
 
#23

UMBBD: c1275
ref: mol2, SDF, SMILES, flexibase
-1.58,0.75,-110.36,2,6,-2, 198.13, 2
31970444
 
#24

ChemDB: 6917011
PubChem: 440442
UMBBD: c1311
ref: mol2, SDF, SMILES, flexibase
-2.20,1.29,-131.59,2,7,-2, 215.161, 5
31970442
 
#25

ChemDB: 6917011
PubChem: 440442
UMBBD: c1311
ref: mol2, SDF, SMILES, flexibase
-2.20,0.8,-126.48,2,7,-2, 215.161, 5
71129857
 
#26

PubChem: 15047570
SureChEMBL: SCHEMBL1572433
UMBBD: c1326
ref: mol2, SDF, SMILES, flexibase
-0.20,0.28,-8.47,1,2,0, 134.2, 3
hi: mol2, SDF, SMILES, flexibase
-0.20,0.81,-49.46,1,2,-1, 133.192, 3
71129854
 
#27

PubChem: 15047570
SureChEMBL: SCHEMBL1572433
UMBBD: c1326
ref: mol2, SDF, SMILES, flexibase
-0.20,0.21,-5.43,1,2,0, 134.2, 3
hi: mol2, SDF, SMILES, flexibase
-0.20,0.69,-35.75,1,2,-1, 133.192, 3
56875135
 
#28

Biocyc via PubChem: CPD-9137
KEGG via PubChem: C18318
KEGG-C via PubChem: C18318
PubChem: 25246230
UMBBD: c1317...5 total

ref: mol2, SDF, SMILES, flexibase
-1.27,5.08,-47.31,0,5,-1, 171.128, 5
71129853
 
#29

UMBBD: c1298
ref: mol2, SDF, SMILES, flexibase
-1.75,-1.74,-11.54,4,7,0, 236.231, 1
71129852
 
#30

UMBBD: c1298
ref: mol2, SDF, SMILES, flexibase
-1.75,-2.64,-11.39,4,7,0, 236.231, 1
71129850
 
#31

UMBBD: c1298
ref: mol2, SDF, SMILES, flexibase
-1.75,-2.65,-11.43,4,7,0, 236.231, 1
71129848
 
#32

UMBBD: c1298
ref: mol2, SDF, SMILES, flexibase
-1.75,-1.83,-13.43,4,7,0, 236.231, 1
71129846
 
#33

PubChem: 54750355
UMBBD: c1299
ref: mol2, SDF, SMILES, flexibase
-0.41,-0.71,-11.44,4,7,0, 234.215, 1
71129841
 
#34

UMBBD: c1300
ref: mol2, SDF, SMILES, flexibase
-1.60,2.67,-49.99,3,9,-1, 265.205, 4
71129840
 
#35

UMBBD: c1300
ref: mol2, SDF, SMILES, flexibase
-1.60,2.5,-57.96,3,9,-1, 265.205, 4
71129837
 
#36

UMBBD: c1301
ref: mol2, SDF, SMILES, flexibase
-1.73,0.19,-8.28,2,5,0, 126.119, 0
3200918
 
#37

PubChem: 12730287
SureChEMBL: SCHEMBL69809
UMBBD: c1345
ref: mol2, SDF, SMILES, flexibase
1.79,0.79,-6.24,2,2,0, 138.166, 0

Similar to: 13512210, 22055488, 1576886, 1692501, ... 4 in total.
71129833
 
#38

BOC Sciences BB (Depleted): 2785-78-6
PubChem: 69720176, 67159838, 11469114
SureChEMBL: SCHEMBL6249118, SCHEMBL1784678, SCHEMBL44351
UMBBD: c1346
ref: mol2, SDF, SMILES, flexibase
2.25,1.02,-4.96,2,2,0, 138.166, 0
13539842
 
#39

UMBBD: c1347
ref: mol2, SDF, SMILES, flexibase
0.36,3.17,-46.7,1,4,-1, 169.156, 3
13539844
 
#40

UMBBD: c1347
ref: mol2, SDF, SMILES, flexibase
0.36,3.05,-41.9,1,4,-1, 169.156, 3
71129818
 
#41

UMBBD: c1348
ref: mol2, SDF, SMILES, flexibase
1.18,3.04,-39.43,1,4,-1, 169.156, 3
71129811
 
#42

UMBBD: c1349
ref: mol2, SDF, SMILES, flexibase
0.36,2.85,-46.11,1,4,-1, 169.156, 3
71129809
 
#43

SureChEMBL: SCHEMBL1263364, SCHEMBL999400
UMBBD: c1331
ref: mol2, SDF, SMILES, flexibase
-1.08,-1.31,-45.78,3,3,1, 104.129, 4
hi: mol2, SDF, SMILES, flexibase
-1.08,-1.7,-5.16,2,3,0, 103.121, 4
13541986
 
#44

PubChem: 42608429
SureChEMBL: SCHEMBL7564083
UMBBD: c1382
ref: mol2, SDF, SMILES, flexibase
0.20,5.27,-46.05,1,7,-1, 224.148, 4
71129804
 
#45

ChEBI: CHEBI:71235
PubChem: 70680268, 57455666
SureChEMBL: SCHEMBL2772403, SCHEMBL291089
UMBBD: c1365
ref: mol2, SDF, SMILES, flexibase
1.60,3.76,-15.66,1,5,0, 181.147, 3
mid: mol2, SDF, SMILES, flexibase
1.60,4.74,-47.98,0,5,-1, 180.139, 3
13511141
 
#46

Leadscope via PubChem: LS-124853
PubChem: 44247539, 3016737, 12642383, 13227331
SureChEMBL: SCHEMBL11670208, SCHEMBL13736202
UMBBD: c1353
ref: mol2, SDF, SMILES, flexibase
-2.52,-0.02,-109.36,0,4,-2, 136.128, 3
lo: mol2, SDF, SMILES, flexibase
-2.52,-1.99,-50.47,1,4,-1, 137.136, 3
71129798
 
#47

PubChem: 53437986, 6365197, 58609455, 7349
UMBBD: c1358
ref: mol2, SDF, SMILES, flexibase
4.77,11.1,-48.85,0,5,-1, 402.621, 18
71129795
 
#48

BioSynth: W-109490
Leadscope via PubChem: LS-148604
PubChem: 58609455, 7349, 53437986, 6857837
UMBBD: c1358
ref: mol2, SDF, SMILES, flexibase
4.77,10.96,-48.89,0,5,-1, 402.621, 18
56875132
 
#49

Biocyc via PubChem: CPD-10825
KEGG via PubChem: C18311
KEGG-C via PubChem: C18311
UMBBD: c1395
71129792
 
#50

PubChem: 44607603
UMBBD: c1357
ref: mol2, SDF, SMILES, flexibase
-1.75,-2.17,-47.96,2,5,-1, 135.095, 4
71129789
 
#51

PubChem: 44607603
UMBBD: c1357
ref: mol2, SDF, SMILES, flexibase
-1.75,-2.17,-47.93,2,5,-1, 135.095, 4
71129787
 
#52

IBM Patent Data: 136319968
PubChem: 44607602
SureChEMBL: SCHEMBL1539859
UMBBD: c1379
ref: mol2, SDF, SMILES, flexibase
-1.84,-2.53,-46.64,2,5,-1, 135.095, 4
71129784
 
#53

IBM Patent Data: 136319968
PubChem: 44607602
SureChEMBL: SCHEMBL1539859
UMBBD: c1379
ref: mol2, SDF, SMILES, flexibase
-1.84,-2.49,-46.8,2,5,-1, 135.095, 4
71129783
 
#54

UMBBD: c1386
ref: mol2, SDF, SMILES, flexibase
-0.27,-1.16,-16.22,2,3,0, 184.216, 2
71129780
 
#55

PubChem: 44665692, 44665691
UMBBD: c1386
ref: mol2, SDF, SMILES, flexibase
-0.27,-1.32,-15.33,2,3,0, 184.216, 2
71129777
 
#56

UMBBD: c1386
ref: mol2, SDF, SMILES, flexibase
-0.27,-1.16,-15.1,2,3,0, 184.216, 2
71129774
 
#57

PubChem: 44665692, 44665691
UMBBD: c1386
ref: mol2, SDF, SMILES, flexibase
-0.27,-1.41,-17.78,2,3,0, 184.216, 2
30728153
 
#58

Enolase via KEGG (EFI): C12624_1
Biocyc via PubChem: CPD0-2184
ChEBI: CHEBI:31082, CHEBI:61450, CHEBI:58637, CHEBI:66888
E. coli Metabolome Database: ECMDB20042
KEGG via PubChem: C12624...14 total

ref: mol2, SDF, SMILES, flexibase
-0.80,3.36,-87.99,1,6,-2, 210.141, 5

Similar to: 62592134, 62592135,
33605004
 
#59

Leadscope via PubChem: LS-188648
PubChem: 3017018
SureChEMBL: SCHEMBL15223386
UMBBD: c1404
ref: mol2, SDF, SMILES, flexibase
4.19,7.27,-9.41,1,3,0, 296.153, 3
34410167
 
#60

PubChem: 14921173, 46173017
UMBBD: c1406
ref: mol2, SDF, SMILES, flexibase
-2.37,3.07,-90.33,0,5,-2, 242.252, 4
lo: mol2, SDF, SMILES, flexibase
-2.37,1.1,-46.41,1,5,-1, 243.26, 4
34410166
 
#61

PubChem: 14921173, 46173017
UMBBD: c1406
ref: mol2, SDF, SMILES, flexibase
-2.37,3.07,-90.31,0,5,-2, 242.252, 4
lo: mol2, SDF, SMILES, flexibase
-2.37,1.09,-46.45,1,5,-1, 243.26, 4
13524659
 
#62

Enolase via KEGG (EFI): C04451_1
ChEBI: CHEBI:16321, CHEBI:57732
ChemDB: 6916683
PubChem: 54720736, 54675767, 54749447
SureChEMBL: SCHEMBL2932085...9 total

ref: mol2, SDF, SMILES, flexibase
-1.31,4.32,-200.16,1,7,-3, 199.094, 4
lo: mol2, SDF, SMILES, flexibase
-1.31,0.19,-117.01,2,7,-2, 200.102, 4
lo: mol2, SDF, SMILES, flexibase
-1.31,-0.71,-39.36,3,7,-1, 201.11, 4
lo: mol2, SDF, SMILES, flexibase
-1.31,0.18,-43.96,3,7,-1, 201.11, 4
71129763
 
#63

Biocyc via PubChem: CPD-13530
UMBBD: c1418
ref: mol2, SDF, SMILES, flexibase
-0.69,4.4,-111.74,1,7,-2, 214.129, 5
56875186
 
#64

KEGG via PubChem: C18345
KEGG-C via PubChem: C18345
PubChem: 54740562
UMBBD: c1418
ref: mol2, SDF, SMILES, flexibase
-0.69,2.92,-115.39,1,7,-2, 214.129, 5
34128113
 
#65

UMBBD: c1437
ref: mol2, SDF, SMILES, flexibase
0.00,3.03,-36.99,0,3,-1, 141.108, 2
hi: mol2, SDF, SMILES, flexibase
0.00,3.9,-120.63,0,3,-2, 140.1, 2
71129756
 
#66

PubChem: 49817365
UMBBD: c1451
ref: mol2, SDF, SMILES, flexibase
2.94,4.37,-3.38,1,2,0, 191.274, 2
71129755
 
#67

PubChem: 49817365
UMBBD: c1451
ref: mol2, SDF, SMILES, flexibase
2.94,4.06,-3.69,1,2,0, 191.274, 2
71129752
 
#68

PubChem: 49817365
UMBBD: c1451
ref: mol2, SDF, SMILES, flexibase
2.94,4.13,-3.6,1,2,0, 191.274, 2
71129749
 
#69

PubChem: 49817365
UMBBD: c1451
ref: mol2, SDF, SMILES, flexibase
2.94,4.33,-3.49,1,2,0, 191.274, 2
5956618
 
#70

ChemDB: 7607917
Leadscope via PubChem: LS-28257
PubChem: 93179
SureChEMBL: SCHEMBL11214636
UMBBD: c1452...5 total

ref: mol2, SDF, SMILES, flexibase
3.62,6.79,-4.38,0,1,0, 161.248, 3
lo: mol2, SDF, SMILES, flexibase
3.62,7.25,-36.05,1,1,1, 162.256, 3
71129746
 
#71

PubChem: 49817366
UMBBD: c1474
ref: mol2, SDF, SMILES, flexibase
3.38,6.63,-5.13,0,1,0, 159.232, 3
lo: mol2, SDF, SMILES, flexibase
3.38,7.09,-36.21,1,1,1, 160.24, 3
71129743
 
#72

SureChEMBL: SCHEMBL9003484, SCHEMBL8571487
UMBBD: c1450
ref: mol2, SDF, SMILES, flexibase
2.56,4.98,-2.46,1,2,0, 193.29, 5
5956559
 
#73

ChemDB: 7639001
Leadscope via PubChem: LS-188654
PubChem: 151353
SureChEMBL: SCHEMBL11795501
UMBBD: c1449...5 total

ref: mol2, SDF, SMILES, flexibase
2.43,5.06,-8.18,1,4,0, 251.326, 6
71129739
 
#74

PubChem: 49817364
UMBBD: c1447
ref: mol2, SDF, SMILES, flexibase
2.83,7.03,-8.67,0,2,0, 223.703, 2
71129736
 
#75

PubChem: 50904183
UMBBD: c1469
ref: mol2, SDF, SMILES, flexibase
0.26,6.95,-51.56,0,7,-1, 299.261, 10
71129733
 
#76

PubChem: 50904183
UMBBD: c1469
ref: mol2, SDF, SMILES, flexibase
0.26,6.97,-50.83,0,7,-1, 299.261, 10
71129730
 
#77

PubChem: 50904185
UMBBD: c1470
ref: mol2, SDF, SMILES, flexibase
-0.02,6.02,-120.9,0,7,-2, 284.226, 9
lo: mol2, SDF, SMILES, flexibase
-0.02,4.91,-38.49,1,7,-1, 285.234, 9
71129728
 
#78

PubChem: 50904185
UMBBD: c1470
ref: mol2, SDF, SMILES, flexibase
-0.02,6.19,-130.83,0,7,-2, 284.226, 9
lo: mol2, SDF, SMILES, flexibase
-0.02,5.09,-43.62,1,7,-1, 285.234, 9
34566142
 
#79

Enamine Building Blocks: EN300-192267
PubChem: 58884022, 11458400
SureChEMBL: SCHEMBL740740
UMBBD: c1471
ref: mol2, SDF, SMILES, flexibase
1.06,5.62,-5.51,0,4,0, 206.263, 7
mid: mol2, SDF, SMILES, flexibase
1.06,6.16,-45.67,0,4,-1, 205.255, 7

Similar to: 5497160, 5497176, 17188229, 4706568, 17324279, ... 5 in total.
34566141
 
#80

Enamine Building Blocks: EN300-192267
PubChem: 58884022, 11458400
SureChEMBL: SCHEMBL740740
UMBBD: c1471
ref: mol2, SDF, SMILES, flexibase
1.06,5.64,-5.55,0,4,0, 206.263, 7
mid: mol2, SDF, SMILES, flexibase
1.06,6.18,-45.96,0,4,-1, 205.255, 7

Similar to: 5497160, 5497176, 17188229, 4706568, 17324279, ... 5 in total.
38191722
 
#81

PubChem: 6913625, 50904182
UMBBD: c1465
ref: mol2, SDF, SMILES, flexibase
2.04,8.85,-21.6,1,6,0, 316.337, 10

Similar to: 8227874, 8227889,
38191721
 
#82

PubChem: 6913625, 50904182
UMBBD: c1465
ref: mol2, SDF, SMILES, flexibase
2.04,8.45,-19.18,1,6,0, 316.337, 10

Similar to: 8227874, 8227889,
38191720
 
#83

PubChem: 6913625, 50904182
UMBBD: c1465
ref: mol2, SDF, SMILES, flexibase
2.04,8.49,-19.41,1,6,0, 316.337, 10

Similar to: 8227874, 8227889,
38191719
 
#84

PubChem: 6913625, 50904182
UMBBD: c1465
ref: mol2, SDF, SMILES, flexibase
2.04,8.92,-21.78,1,6,0, 316.337, 10

Similar to: 8227874, 8227889,
71129717
 
#85

PubChem: 57428225
UMBBD: c1464
ref: mol2, SDF, SMILES, flexibase
0.80,0.56,-22.1,2,3,0, 128.089, 1
mid: mol2, SDF, SMILES, flexibase
-0.37,2.95,-118.19,0,3,-2, 126.073, 1
2008584
 
#86

Toronto Research Chemicals: M111010
ChemDB: 7550536
HMDB Drug: HMDB60636
HMDB Drug Metabolites: HMDB60636
Human Metabolome Database: HMDB60636...9 total

ref: mol2, SDF, SMILES, flexibase
0.64,8.83,-100.87,0,6,-2, 272.24, 7
lo: mol2, SDF, SMILES, flexibase
0.64,6.39,-56.27,1,6,-1, 273.248, 7
2008583
 
#87

Toronto Research Chemicals: M111010
ChemDB: 7550536
HMDB Drug: HMDB60636
HMDB Drug Metabolites: HMDB60636
Human Metabolome Database: HMDB60636...9 total

ref: mol2, SDF, SMILES, flexibase
0.64,8.75,-100.28,0,6,-2, 272.24, 7
lo: mol2, SDF, SMILES, flexibase
0.64,6.87,-43.15,1,6,-1, 273.248, 7
71129712
 
#88

UMBBD: c1487
ref: mol2, SDF, SMILES, flexibase
-1.10,7.17,-89.01,0,8,-2, 213.101, 5
71129709
 
#89

UMBBD: c1487
ref: mol2, SDF, SMILES, flexibase
-1.10,7.19,-105.21,0,8,-2, 213.101, 5
71129707
 
#90

ChEBI: CHEBI:66945
KEGG via PubChem: C20367
KEGG-C via PubChem: C20367
PubChem: 70678826
UMBBD: c1487...5 total

ref: mol2, SDF, SMILES, flexibase
-1.10,5.81,-92.89,0,8,-2, 213.101, 5
71129704
 
#91

PubChem: 50990930
UMBBD: c1487
ref: mol2, SDF, SMILES, flexibase
-1.10,6.31,-93.99,0,8,-2, 213.101, 5
71129702
 
#92

PubChem: 51346755
UMBBD: c1414
ref: mol2, SDF, SMILES, flexibase
2.29,2.96,-52.11,3,5,-1, 287.291, 4
71129701
 
#93

PubChem: 51346755
UMBBD: c1414
ref: mol2, SDF, SMILES, flexibase
2.29,2.99,-53.58,3,5,-1, 287.291, 4
71129697
 
#94

PubChem: 51346755
UMBBD: c1414
ref: mol2, SDF, SMILES, flexibase
2.29,2.97,-50.82,3,5,-1, 287.291, 4
71129694
 
#95

PubChem: 51346755
UMBBD: c1414
ref: mol2, SDF, SMILES, flexibase
2.29,3.01,-52.08,3,5,-1, 287.291, 4
71129685
 
#96

UMBBD: c1415
ref: mol2, SDF, SMILES, flexibase
0.44,6.33,-92.27,2,7,-2, 318.281, 7
hi: mol2, SDF, SMILES, flexibase
0.44,6.93,-170.21,1,7,-3, 317.273, 7
hi: mol2, SDF, SMILES, flexibase
0.44,6.74,-182.87,1,7,-3, 317.273, 7
71129682
 
#97

PubChem: 51346759
UMBBD: c1430
ref: mol2, SDF, SMILES, flexibase
0.57,5.37,-97.76,1,5,-2, 222.196, 4
71129681
 
#98

PubChem: 51346759
UMBBD: c1430
ref: mol2, SDF, SMILES, flexibase
0.57,5.41,-104.04,1,5,-2, 222.196, 4
71129678
 
#99

PubChem: 51346759
UMBBD: c1430
ref: mol2, SDF, SMILES, flexibase
0.57,5.35,-103.21,1,5,-2, 222.196, 4
71129677
 
#100

PubChem: 51346759
UMBBD: c1430
ref: mol2, SDF, SMILES, flexibase
0.57,5.38,-97.94,1,5,-2, 222.196, 4

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 = 513 ) limit 0,100

Smiles were