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ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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70632672
 
#1

MicroCombiChem Make-on-demand: 100577
ref: mol2, SDF, SMILES, flexibase
1.50,6.19,-14.47,1,10,0, 517.512, 8
70632679
 
#2

MicroCombiChem Make-on-demand: 100579
ref: mol2, SDF, SMILES, flexibase
0.55,12.78,-21.79,0,10,0, 508.549, 6
70632683
 
#3

MicroCombiChem Make-on-demand: 100585
ref: mol2, SDF, SMILES, flexibase
1.17,9.35,-15.95,1,9,0, 453.469, 6
70632686
 
#4

MicroCombiChem Make-on-demand: 100603
ref: mol2, SDF, SMILES, flexibase
2.64,11.04,-15.77,2,8,0, 502.541, 8
70632689
 
#5

MicroCombiChem Make-on-demand: 100605
ref: mol2, SDF, SMILES, flexibase
2.08,9.68,-19.52,2,9,0, 503.529, 8
lo: mol2, SDF, SMILES, flexibase
2.08,10.15,-39.42,3,9,1, 504.537, 8
70632691
 
#6

MicroCombiChem Make-on-demand: 100613
ref: mol2, SDF, SMILES, flexibase
0.63,11.07,-41.62,2,9,1, 468.504, 9
mid: mol2, SDF, SMILES, flexibase
0.63,10.55,-15.99,1,9,0, 467.496, 9
70632696
 
#7

MicroCombiChem Make-on-demand: 100619
ref: mol2, SDF, SMILES, flexibase
2.50,13.31,-43.34,2,8,1, 533.619, 8
hi: mol2, SDF, SMILES, flexibase
2.50,11.07,-11.38,1,8,0, 532.611, 8
70632700
 
#8

MicroCombiChem Make-on-demand: 100621
ref: mol2, SDF, SMILES, flexibase
1.55,9.49,-15.06,1,10,0, 514.549, 8
70632704
 
#9

MicroCombiChem Make-on-demand: 100623
ref: mol2, SDF, SMILES, flexibase
2.70,12.75,-15.3,1,8,0, 516.568, 8
70632707
 
#10

MicroCombiChem Make-on-demand: 100639
ref: mol2, SDF, SMILES, flexibase
2.75,12.5,-14.48,1,8,0, 514.552, 5
70632710
 
#11

MicroCombiChem Make-on-demand: 100641
ref: mol2, SDF, SMILES, flexibase
1.46,8.59,-16.79,3,10,0, 505.501, 7
70632715
 
#12

MicroCombiChem Make-on-demand: 100645
ref: mol2, SDF, SMILES, flexibase
1.51,9.36,-18.84,2,10,0, 519.528, 8
70632720
 
#13

MicroCombiChem Make-on-demand: 100651
ref: mol2, SDF, SMILES, flexibase
2.14,12.16,-17.22,1,9,0, 529.567, 9
70632726
 
#14

MicroCombiChem Make-on-demand: 100653
ref: mol2, SDF, SMILES, flexibase
1.39,12.3,-42.68,1,9,1, 528.644, 9
mid: mol2, SDF, SMILES, flexibase
1.39,14.14,-108.7,2,9,2, 529.652, 9

Old detail retrieval took 0 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 = 500 ) limit 0,100

Smiles were