Genistein.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (1)
1

>  <Formula> (1)
C15H10O5

>  <MolWeight> (1)
270.2369

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S1342

>  <Name> (1)
Genistein

>  <Synonyms> (1)
N/A

>  <Target> (1)
Topoisomerase
EGFR

>  <Form> (1)
Free Base

>  <CAS> (1)
446-72-0

>  <URL> (1)
http://www.selleckchem.com/products/Genistein.html

$$$$
Daidzein.cdx
csChFnd80/03272414162D

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2

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C15H10O4

>  <MolWeight> (2)
254.2375

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S1849

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Daidzein

>  <Synonyms> (2)
N/A

>  <Target> (2)
Others

>  <Form> (2)
Free Base

>  <CAS> (2)
486-66-8 

>  <URL> (2)
http://www.selleckchem.com/products/Daidzein.html

$$$$
Silibinin.cdx
csChFnd80/03272414162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C25H22O10

>  <MolWeight> (3)
482.43618

>  <Cat> (3)
S2357

>  <Name> (3)
Silibinin (Silybin)

>  <Synonyms> (3)
Silybin

>  <Target> (3)
Others

>  <Form> (3)
Free Base

>  <CAS> (3)
22888-70-6

>  <URL> (3)
http://www.selleckchem.com/products/Silibinin(Silybin).html

$$$$
Silymarin.cdx
csChFnd80/03272414162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C25H22O10

>  <MolWeight> (4)
482.43618

>  <Cat> (4)
S2358

>  <Name> (4)
Silymarin (Silybin B)

>  <Synonyms> (4)
Silybin B, Silibinin B

>  <Target> (4)
NULL

>  <Form> (4)
Free Base

>  <CAS> (4)
65666-07-1

>  <URL> (4)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

$$$$
Tangeretin.cdx
csChFnd80/03272414162D

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    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C20H20O7

>  <MolWeight> (5)
372.3686

>  <Cat> (5)
S2363

>  <Name> (5)
Tangeretin (Tangeritin)

>  <Synonyms> (5)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (5)
ROS

>  <Form> (5)
Free Base

>  <CAS> (5)
481-53-8

>  <URL> (5)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

$$$$
Troxerutin.cdx
csChFnd80/03272414162D

 52 56  0  0  0  0  0  0  0  0999 V2000
    4.8371    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9615    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3200    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 10  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 38  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 40  1  0  0  0  0
 30 46  1  6  0  0  0
 44 47  1  1  0  0  0
 42 48  1  1  0  0  0
 43 49  1  6  0  0  0
 41 50  1  1  0  0  0
 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C33H42O19

>  <MolWeight> (6)
742.67518

>  <Cat> (6)
S2369

>  <Name> (6)
Troxerutin

>  <Synonyms> (6)
Trihydroxyethylrutin, Troxerutin

>  <Target> (6)
Thrombin

>  <Form> (6)
Free Base

>  <CAS> (6)
7085-55-4

>  <URL> (6)
http://www.selleckchem.com/products/Troxerutin.html

$$$$
Xanthone.cdx
csChFnd80/03272414162D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C13H8O2

>  <MolWeight> (7)
196.20142

>  <Cat> (7)
S2372

>  <Name> (7)
Xanthone (Genicide)

>  <Synonyms> (7)
Genicide, Benzophenone oxide, Diphenylene ketone oxide 

>  <Target> (7)
Others

>  <Form> (7)
Free Base

>  <CAS> (7)
90-47-1 

>  <URL> (7)
http://www.selleckchem.com/products/Xanthone(Genicide).html

$$$$
Biochanin A.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C16H12O5

>  <MolWeight> (8)
284.26348

>  <Cat> (8)
S2377

>  <Name> (8)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (8)
4-Methylgenistein

>  <Target> (8)
FAAH

>  <Form> (8)
Free Base

>  <CAS> (8)
491-80-5

>  <URL> (8)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Diosmetin.cdx
csChFnd80/03272414162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C16H12O6

>  <MolWeight> (9)
300.26288

>  <Cat> (9)
S2380

>  <Name> (9)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (9)
Luteolin 4-methyl ether

>  <Target> (9)
P450 (e.g. CYP17)

>  <Form> (9)
Free Base

>  <CAS> (9)
520-34-3

>  <URL> (9)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Hematoxylin.cdx
csChFnd80/03272414162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.5036    4.5325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C16H14O6

>  <MolWeight> (10)
302.27876

>  <Cat> (10)
S2384

>  <Name> (10)
Hematoxylin (Hydroxybrazilin)

>  <Synonyms> (10)
Hydroxybrazilin, Natural Black 1

>  <Target> (10)
Others

>  <Form> (10)
Free Base

>  <CAS> (10)
517-28-2

>  <URL> (10)
http://www.selleckchem.com/products/Hematoxylin(Hydroxybrazilin).html

$$$$
Naringin Dihydrochalcone.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C27H34O14

>  <MolWeight> (11)
582.55046

>  <Cat> (11)
S2389

>  <Name> (11)
Naringin Dihydrochalcone (Naringin DC)

>  <Synonyms> (11)
Naringin DC

>  <Target> (11)
Phospholipase (e.g. PLA)

>  <Form> (11)
Free Base

>  <CAS> (11)
18916-17-1

>  <URL> (11)
http://www.selleckchem.com/products/Naringin-Dihydrochalcone(Naringin-DC).html

$$$$
Quercetin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C15H10O7

>  <MolWeight> (12)
302.2357

>  <Cat> (12)
S2391

>  <Name> (12)
Quercetin (Sophoretin)

>  <Synonyms> (12)
Meletin, Quercetine

>  <Target> (12)
PI3K, PKC, Src, Sirtuin

>  <Form> (12)
Free Base

>  <CAS> (12)
117-39-5

>  <URL> (12)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Naringenin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C15H12O5

>  <MolWeight> (13)
272.25278

>  <Cat> (13)
S2394

>  <Name> (13)
Naringenin

>  <Synonyms> (13)
N/A

>  <Target> (13)
P450

>  <Form> (13)
Free Base

>  <CAS> (13)
480-41-1

>  <URL> (13)
http://www.selleckchem.com/products/Naringenin.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (14)
14

>  <Formula> (14)
C22H18O11

>  <MolWeight> (14)
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>  <Cat> (14)
S2250

>  <Name> (14)
(-)-Epigallocatechin gallate

>  <Synonyms> (14)
EGCG

>  <Target> (14)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (14)
Free Base

>  <CAS> (14)
989-51-5

>  <URL> (14)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Apigenin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C15H10O5

>  <MolWeight> (15)
270.2369

>  <Cat> (15)
S2262

>  <Name> (15)
Apigenin

>  <Synonyms> (15)
N/A

>  <Target> (15)
P450

>  <Form> (15)
Free Base

>  <CAS> (15)
520-36-5

>  <URL> (15)
http://www.selleckchem.com/products/Apigenin.html

$$$$
Ipriflavone.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (16)
16

>  <Formula> (16)
C18H16O3

>  <MolWeight> (16)
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>  <Cat> (16)
S2422

>  <Name> (16)
Ipriflavone

>  <Synonyms> (16)
N/A 

>  <Target> (16)
Others

>  <Form> (16)
Free Base

>  <CAS> (16)
35212-22-7

>  <URL> (16)
http://www.selleckchem.com/products/ipriflavone.html

$$$$
Baicalein.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (17)
17

>  <Formula> (17)
C15H10O5

>  <MolWeight> (17)
270.2369

>  <Cat> (17)
S2268

>  <Name> (17)
Baicalein

>  <Synonyms> (17)
N/A

>  <Target> (17)
P450

>  <Form> (17)
Free Base

>  <CAS> (17)
491-67-8

>  <URL> (17)
http://www.selleckchem.com/products/Baicalein.html

$$$$
Baicalin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (18)
18

>  <Formula> (18)
C21H18O11

>  <MolWeight> (18)
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>  <Cat> (18)
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>  <Name> (18)
Baicalin

>  <Synonyms> (18)
N/A

>  <Target> (18)
GABA Receptor

>  <Form> (18)
Free Base

>  <CAS> (18)
21967-41-9

>  <URL> (18)
http://www.selleckchem.com/products/Baicalin.html

$$$$
Chrysin.cdx
csChFnd80/03272414162D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
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 14 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C15H10O4

>  <MolWeight> (19)
254.2375

>  <Cat> (19)
S2281

>  <Name> (19)
Chrysin

>  <Synonyms> (19)
N/A

>  <Target> (19)
Others

>  <Form> (19)
Free Base

>  <CAS> (19)
480-40-0

>  <URL> (19)
http://www.selleckchem.com/products/Chrysin.html

$$$$
Fisetin.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C15H10O6

>  <MolWeight> (20)
286.2363

>  <Cat> (20)
S2298

>  <Name> (20)
Fisetin (Fustel)

>  <Synonyms> (20)
Fustel, Viset

>  <Target> (20)
Sirtuin

>  <Form> (20)
Free Base

>  <CAS> (20)
528-48-3

>  <URL> (20)
http://www.selleckchem.com/products/Fisetin(Fustel).html

$$$$
Formononetin.cdx
csChFnd80/03272414162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 10  2  1  0  0  0  0
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  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C16H12O4

>  <MolWeight> (21)
268.26408

>  <Cat> (21)
S2299

>  <Name> (21)
Formononetin (Formononetol)

>  <Synonyms> (21)
Biochanin B, Formononetol 

>  <Target> (21)
Others

>  <Form> (21)
Free Base

>  <CAS> (21)
485-72-3

>  <URL> (21)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

$$$$
Hesperetin.cdx
csChFnd80/03272414162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C16H14O6

>  <MolWeight> (22)
302.27876

>  <Cat> (22)
S2308

>  <Name> (22)
Hesperetin

>  <Synonyms> (22)
N/A

>  <Target> (22)
Histamine Receptor

>  <Form> (22)
Free Base

>  <CAS> (22)
520-33-2

>  <URL> (22)
http://www.selleckchem.com/products/Hesperetin.html

$$$$
Hesperidin.cdx
csChFnd80/03272414162D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2704    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  8  1  1  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  1  0  0  0
  3 29  1  1  0  0  0
 15 30  1  1  0  0  0
 28 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
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 35 28  1  0  0  0  0
 16 36  1  6  0  0  0
 14 37  1  6  0  0  0
  4 38  1  6  0  0  0
 27 39  2  0  0  0  0
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 41 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C28H34O15

>  <MolWeight> (23)
610.56056

>  <Cat> (23)
S2309

>  <Name> (23)
Hesperidin

>  <Synonyms> (23)
N/A

>  <Target> (23)
NULL

>  <Form> (23)
Free Base

>  <CAS> (23)
520-26-3

>  <URL> (23)
http://www.selleckchem.com/products/Hesperidin.html

$$$$
Icariin.cdx
csChFnd80/03272414162D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C33H40O15

>  <MolWeight> (24)
676.6617

>  <Cat> (24)
S2312

>  <Name> (24)
Icariin

>  <Synonyms> (24)
N/A

>  <Target> (24)
PDE

>  <Form> (24)
Free Base

>  <CAS> (24)
489-32-7

>  <URL> (24)
http://www.selleckchem.com/products/Icariin.html

$$$$
Kaempferol.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C15H10O6

>  <MolWeight> (25)
286.2363

>  <Cat> (25)
S2314

>  <Name> (25)
Kaempferol

>  <Synonyms> (25)
N/A

>  <Target> (25)
Estrogen/progestogen Receptor modulator

>  <Form> (25)
Free Base

>  <CAS> (25)
520-18-3

>  <URL> (25)
http://www.selleckchem.com/products/Kaempferol.html

$$$$
Luteolin.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C15H10O6

>  <MolWeight> (26)
286.2363

>  <Cat> (26)
S2320

>  <Name> (26)
Luteolin

>  <Synonyms> (26)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (26)
PDE

>  <Form> (26)
Free Base

>  <CAS> (26)
491-70-3 

>  <URL> (26)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

$$$$
Morin.cdx
csChFnd80/03272414162D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C15H12O8

>  <MolWeight> (27)
320.25098

>  <Cat> (27)
S2325

>  <Name> (27)
Morin hydrate (Aurantica)

>  <Synonyms> (27)
N/A

>  <Target> (27)
Others

>  <Form> (27)
Hydrate

>  <CAS> (27)
6202-27-3

>  <URL> (27)
http://www.selleckchem.com/products/Morin-hydrate(Aurantica).html

$$$$
Myricetin.cdx
csChFnd80/03272414162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C15H10O8

>  <MolWeight> (28)
318.2351

>  <Cat> (28)
S2326

>  <Name> (28)
Myricetin (Cannabiscetin)

>  <Synonyms> (28)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (28)
NULL

>  <Form> (28)
Free Base

>  <CAS> (28)
529-44-2

>  <URL> (28)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/03272414162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C21H20O12

>  <MolWeight> (29)
464.3763

>  <Cat> (29)
S2327

>  <Name> (29)
Myricitrin (Myricitrine)

>  <Synonyms> (29)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (29)
PKC

>  <Form> (29)
Free Base

>  <CAS> (29)
17912-87-7

>  <URL> (29)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Naringin.cdx
csChFnd80/03272414162D

 41 45  0  0  0  0  0  0  0  0999 V2000
    6.1009    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7382    7.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    7.9680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9507    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7920    5.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    7.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.0580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7927    6.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7927    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0927    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 26 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 23 35  1  1  0  0  0
 32 36  1  1  0  0  0
 31 37  1  6  0  0  0
 34 38  1  6  0  0  0
 33 39  1  6  0  0  0
 24 40  1  6  0  0  0
 35 41  1  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C27H32O14

>  <MolWeight> (30)
580.53458

>  <Cat> (30)
S2329

>  <Name> (30)
Naringin (Naringoside)

>  <Synonyms> (30)
Naringoside, Naringenine-7-rhamnosidoglucoside 

>  <Target> (30)
P450 (e.g. CYP17)

>  <Form> (30)
Free Base

>  <CAS> (30)
10236-47-2 

>  <URL> (30)
http://www.selleckchem.com/products/Naringin(Naringoside).html

$$$$
Neohesperidin dihydrochalcone.cdx
csChFnd80/03272414162D

 43 46  0  0  0  0  0  0  0  0999 V2000
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1201    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6030    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19  2  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 23 27  1  6  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 20 32  1  1  0  0  0
 22 33  1  1  0  0  0
 28 34  1  1  0  0  0
 30 35  1  1  0  0  0
 21 36  1  6  0  0  0
 29 37  1  6  0  0  0
 32 38  1  0  0  0  0
  6 39  1  0  0  0  0
  9 40  2  0  0  0  0
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 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C28H36O15

>  <MolWeight> (31)
612.57644

>  <Cat> (31)
S2331

>  <Name> (31)
Neohesperidin dihydrochalcone (Nhdc)

>  <Synonyms> (31)
Nhdc, Neohesperidin dc, Neohesperidin dhc 

>  <Target> (31)
Others

>  <Form> (31)
Free Base

>  <CAS> (31)
20702-77-6 

>  <URL> (31)
http://www.selleckchem.com/products/Neohesperidin-dihydrochalcone(Nhdc).html

$$$$
Nobiletin.cdx
csChFnd80/03272414162D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
 12 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C21H22O8

>  <MolWeight> (32)
402.39458

>  <Cat> (32)
S2333

>  <Name> (32)
Nobiletin (Hexamethoxyflavone)

>  <Synonyms> (32)
N/A 

>  <Target> (32)
MMP

>  <Form> (32)
Free Base

>  <CAS> (32)
478-01-3

>  <URL> (32)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

$$$$
Phloretin.cdx
csChFnd80/03272414162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C15H14O5

>  <MolWeight> (33)
274.26866

>  <Cat> (33)
S2342

>  <Name> (33)
Phloretin

>  <Synonyms> (33)
Dihydronaringenin

>  <Target> (33)
SGLT

>  <Form> (33)
Free Base

>  <CAS> (33)
60-82-2

>  <URL> (33)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

$$$$
Phlorizin.cdx
csChFnd80/03272414162D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.5408    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 22 28  1  0  0  0  0
  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C21H24O10

>  <MolWeight> (34)
436.40926

>  <Cat> (34)
S2343

>  <Name> (34)
Phlorizin (Phloridzin)

>  <Synonyms> (34)
Phlorhizin, Phlorizoside 

>  <Target> (34)
SGLT

>  <Form> (34)
Free Base

>  <CAS> (34)
60-81-1

>  <URL> (34)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

$$$$
Puerarin.cdx
csChFnd80/03272414162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    4.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    6.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3506    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8646    4.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5058    2.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1142    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    2.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9056    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6347    1.2166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    1.2166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.9518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  6  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 24 27  1  1  0  0  0
 22 28  1  1  0  0  0
 25 29  1  6  0  0  0
 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C21H20O10

>  <MolWeight> (35)
432.3775

>  <Cat> (35)
S2346

>  <Name> (35)
Puerarin (Kakonein)

>  <Synonyms> (35)
NPI-31G 

>  <Target> (35)
5-HT Receptor

>  <Form> (35)
Free Base

>  <CAS> (35)
3681-99-0

>  <URL> (35)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

$$$$
Quercetin dihydrate.cdx
csChFnd80/03272414162D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C15H14O9

>  <MolWeight> (36)
338.26626

>  <Cat> (36)
S2347

>  <Name> (36)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (36)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (36)
Others

>  <Form> (36)
Dihydrate

>  <CAS> (36)
6151-25-3

>  <URL> (36)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Rutin DAB10.cdx
csChFnd80/03272414162D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 11  1  0  0  0  0
 13 17  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
  2 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
  3 34  2  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
 21 39  1  6  0  0  0
 23 40  1  6  0  0  0
 24 41  1  6  0  0  0
 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C27H30O16

>  <MolWeight> (37)
610.5175

>  <Cat> (37)
S2350

>  <Name> (37)
Rutin (Rutoside)

>  <Synonyms> (37)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (37)
NULL

>  <Form> (37)
Free Base

>  <CAS> (37)
153-18-4

>  <URL> (37)
http://www.selleckchem.com/products/Rutin(Rutoside).html

$$$$
Dihydromyricetin.cdx
csChFnd80/03272414162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
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 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C15H12O8

>  <MolWeight> (38)
320.25098

>  <Cat> (38)
S2399

>  <Name> (38)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (38)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (38)
Others

>  <Form> (38)
Free Base

>  <CAS> (38)
27200-12-0

>  <URL> (38)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Isoliquiritigenin.cdx
csChFnd80/03272414162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C15H12O4

>  <MolWeight> (39)
256.25338

>  <Cat> (39)
S2404

>  <Name> (39)
Isoliquiritigenin

>  <Synonyms> (39)
N/A

>  <Target> (39)
Others

>  <Form> (39)
Free Base

>  <CAS> (39)
961-29-5

>  <URL> (39)
http://www.selleckchem.com/products/Isoliquiritigenin.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/03272414162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  2  0  0  0  0
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 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 13  9  2  3  0  0  0
M  CFW  20 B_NG_STER 3
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C16H14O4

>  <MolWeight> (40)
270.27996

>  <Cat> (40)
S3942

>  <Name> (40)
Cardamonin

>  <Synonyms> (40)
Alpinetin chalcone

>  <Target> (40)
Calcium Channel

>  <Form> (40)
free base

>  <CAS> (40)
18956-16-6

>  <URL> (40)
http://selleckchem.com/products/cardamonin.html

$$$$
Neohesperidin.cdx
csChFnd80/03272414162D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.6143    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6143    5.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    5.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392    5.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    5.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    5.2279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4640    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6723    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.7328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6723    7.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8847    8.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0971    7.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3054    5.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8847    9.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6723   10.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 19  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  1  0  0  0
 25 30  1  1  0  0  0
 28 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  1  0  0  0
 26 39  1  6  0  0  0
 34 40  1  6  0  0  0
 36 41  1  6  0  0  0
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 30 43  1  0  0  0  0
M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C28H34O15

>  <MolWeight> (41)
610.56056

>  <Cat> (41)
S2332

>  <Name> (41)
Neohesperidin

>  <Synonyms> (41)
N/A

>  <Target> (41)
ROS

>  <Form> (41)
Free Base

>  <CAS> (41)
13241-33-3 

>  <URL> (41)
http://www.selleckchem.com/products/Neohesperidin.html

$$$$
Medroxyprogesterone acetate.cdx
csChFnd80/03272414162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3977    7.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6995    4.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946    4.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 12 24  1  1  0  0  0
 10 25  1  6  0  0  0
  7 26  1  6  0  0  0
 11 27  1  6  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C24H34O4

>  <MolWeight> (42)
386.52436

>  <Cat> (42)
S2567

>  <Name> (42)
Medroxyprogesterone acetate

>  <Synonyms> (42)
Medroxyprogesterone 17-acetate, MPA 

>  <Target> (42)
Estrogen/progestogen Receptor

>  <Form> (42)
Free Base

>  <CAS> (42)
71-58-9

>  <URL> (42)
http://www.selleckchem.com/products/Medroxyprogesterone-acetate.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/03272414162D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    6.5455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455   10.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    3.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.8479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.4504    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9576    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 14 20  1  6  0  0  0
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 17 22  1  0  0  0  0
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 23 24  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C21H21Cl2NO5

>  <MolWeight> (43)
438.30114

>  <Cat> (43)
S2679

>  <Name> (43)
Flavopiridol (Alvocidib) HCl

>  <Synonyms> (43)
N/A

>  <Target> (43)
CDK

>  <Form> (43)
Hydrochloride

>  <CAS> (43)
131740-09-5

>  <URL> (43)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

$$$$
Equol.cdx
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
  2 12  1  1  0  0  0
M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C15H14O3

>  <MolWeight> (44)
242.26986

>  <Cat> (44)
S2450

>  <Name> (44)
Equol

>  <Synonyms> (44)
N/A 

>  <Target> (44)
Estrogen/progestogen Receptor

>  <Form> (44)
Free Base

>  <CAS> (44)
531-95-3

>  <URL> (44)
http://www.selleckchem.com/products/equol.html

$$$$
Daidzin.cdx
csChFnd80/03272414162D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1159    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7490    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 10 25  2  0  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 16 28  1  1  0  0  0
 14 29  1  1  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C21H20O9

>  <MolWeight> (45)
416.3781

>  <Cat> (45)
S2289

>  <Name> (45)
Daidzin

>  <Synonyms> (45)
N/A

>  <Target> (45)
Others

>  <Form> (45)
Free Base

>  <CAS> (45)
552-66-9

>  <URL> (45)
http://www.selleckchem.com/products/Daidzin.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/03272414162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
  9 14  1  6  0  0  0
  8 15  1  1  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C15H12O7

>  <MolWeight> (46)
304.25158

>  <Cat> (46)
S2366

>  <Name> (46)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (46)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (46)
VEGFR

>  <Form> (46)
Free Base

>  <CAS> (46)
480-18-2

>  <URL> (46)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/03272414162D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 14 20  1  6  0  0  0
 15 21  1  1  0  0  0
 17 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C21H20ClNO5

>  <MolWeight> (47)
401.8402

>  <Cat> (47)
S1230

>  <Name> (47)
Flavopiridol (Alvocidib)

>  <Synonyms> (47)
NSC 649890 HCl,HMR-1275

>  <Target> (47)
CDK

>  <Form> (47)
Free Base

>  <CAS> (47)
146426-40-6

>  <URL> (47)
http://www.selleckchem.com/products/Flavopiridol.html

$$$$
17-Hydroxyprogesterone.cdx
csChFnd80/03272414162D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    7.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9584    4.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  6  0  0  0
 11 23  1  6  0  0  0
 10 24  1  6  0  0  0
  5 25  1  1  0  0  0
 12 26  1  1  0  0  0
  9 27  1  1  0  0  0
M  END
>  <Mol_ID> (48)
48

>  <Formula> (48)
C21H30O3

>  <MolWeight> (48)
330.4611

>  <Cat> (48)
S4507

>  <Name> (48)
17-Hydroxyprogesterone

>  <Synonyms> (48)
N/A

>  <Target> (48)
Estrogen/progestogen Receptor

>  <Form> (48)
Free Base

>  <CAS> (48)
68-96-2

>  <URL> (48)
http://www.selleckchem.com/products/17-hydroxyprogesterone.html

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C15H14O6

>  <MolWeight> (49)
290.26806

>  <Cat> (49)
S4723

>  <Name> (49)
(-)Epicatechin

>  <Synonyms> (49)
L-Epicatechin, (-)-Epicatechol

>  <Target> (49)
Others

>  <Form> (49)
Free Base

>  <CAS> (49)
490-46-0

>  <URL> (49)
http://www.selleckchem.com/products/-epicatechin.html

$$$$
Genistin.cdx
csChFnd80/03272414162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5408    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  2  0  0  0  0
 11 21  1  0  0  0  0
  1 22  1  1  0  0  0
  3 23  1  1  0  0  0
  2 24  1  6  0  0  0
 19 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 29 19  1  0  0  0  0
 22 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C21H20O10

>  <MolWeight> (50)
432.3775

>  <Cat> (50)
S2301

>  <Name> (50)
Genistin (Genistoside)

>  <Synonyms> (50)
Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside

>  <Target> (50)
Others

>  <Form> (50)
Free Base

>  <CAS> (50)
529-59-9

>  <URL> (50)
http://www.selleckchem.com/products/Genistin(Genistoside).html

$$$$
S4743 Wogonin.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6326    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4175    4.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8454    2.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0572    4.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    6.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175    6.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2204    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2682    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6957    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C16H12O5

>  <MolWeight> (51)
284.26348

>  <Cat> (51)
S4743

>  <Name> (51)
Wogonin

>  <Synonyms> (51)
Vogonin

>  <Target> (51)
CDK

>  <Form> (51)
Free Base

>  <CAS> (51)
632-85-9

>  <URL> (51)
http://www.selleckchem.com/products/wogonin.html

$$$$
S3634 6-Hydroxyflavone.cdx
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6263    2.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4220    4.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2015    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0566    4.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 11 13  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C15H10O3

>  <MolWeight> (52)
238.2381

>  <Cat> (52)
S3634

>  <Name> (52)
6-Hydroxyflavone (6-HF)

>  <Synonyms> (52)
N/A

>  <Target> (52)
GABAA receptors

>  <Form> (52)
free base

>  <CAS> (52)
6665-83-4

>  <URL> (52)
http://www.selleckchem.com/products/6-hydroxyflavone-6-hf.html

$$$$
S3635 Medroxyprogesterone.cdx
csChFnd80/03272414162D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0716    3.4967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2802    4.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8549    4.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0716    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2681    5.5988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6143    3.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    3.4967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8549    5.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8670    1.3908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6021    6.0192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0596    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4227    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6582    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6582    4.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8670    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    7.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9077    6.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    1.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  8 11  1  0  0  0  0
  9 16  1  6  0  0  0
  9 13  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  6  0  0  0
 10 12  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
  3 25  1  6  0  0  0
  1 26  1  1  0  0  0
  5 27  1  1  0  0  0
  2 28  1  6  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C22H32O3

>  <MolWeight> (53)
344.48768

>  <Cat> (53)
S3635

>  <Name> (53)
Medroxyprogesterone

>  <Synonyms> (53)
MP

>  <Target> (53)
progesterone receptor

>  <Form> (53)
free base

>  <CAS> (53)
520-85-4

>  <URL> (53)
http://www.selleckchem.com/products/medroxyprogesterone.html

$$$$
S3679 Flavanone.cdx
csChFnd80/03272414162D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4279    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    2.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8561    4.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    2.8125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0004    2.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0536    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
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  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C15H12O2

>  <MolWeight> (54)
224.25458

>  <Cat> (54)
S3679

>  <Name> (54)
Flavanone

>  <Synonyms> (54)
2,3-Dihydroflavone, 4-Flavanone, 2-Phenyl-4-chromanone, 2-Phenylchroman-4-one

>  <Target> (54)
Others

>  <Form> (54)
free base

>  <CAS> (54)
487-26-3

>  <URL> (54)
http://www.selleckchem.com/products/flavanone.html

$$$$
Rotenone.cdx
csChFnd80/03272414162D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C23H22O6

>  <MolWeight> (55)
394.41718

>  <Cat> (55)
S2348

>  <Name> (55)
Rotenone (Barbasco)

>  <Synonyms> (55)
Barbasco, Dactinol, Paraderil, Rotenon, Rotocide

>  <Target> (55)
Antifection

>  <Form> (55)
free base

>  <CAS> (55)
83-79-4

>  <URL> (55)
http://www.selleckchem.com/products/rotenone-barbasco.html

$$$$
S3941 Pinocembrin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
C15H12O4

>  <MolWeight> (56)
256.25338

>  <Cat> (56)
S3941

>  <Name> (56)
Pinocembrin

>  <Synonyms> (56)
Pinocembrin

>  <Target> (56)
Antifection

>  <Form> (56)
free base

>  <CAS> (56)
480-39-7

>  <URL> (56)
http://www.selleckchem.com/products/pinocembrin.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C16H14O4

>  <MolWeight> (57)
270.27996

>  <Cat> (57)
S3867

>  <Name> (57)
Cardamoni

>  <Synonyms> (57)
Alpinetin chalcone, cardamomin

>  <Target> (57)
NF-¦ÊB,Calcium Channel

>  <Form> (57)
free base

>  <CAS> (57)
 19309-14-9

$$$$
S3824 Quercitrin.cdx
csChFnd80/03272414162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C21H20O11

>  <MolWeight> (58)
448.3769

>  <Cat> (58)
S3824

>  <Name> (58)
Quercitrin

>  <Synonyms> (58)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (58)
Others

>  <Form> (58)
free base

>  <CAS> (58)
522-12-3

>  <URL> (58)
http://www.selleckchem.com/products/quercitrin.html

$$$$
S3825 Glycitin.cdx
csChFnd80/03272414162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C22H22O10

>  <MolWeight> (59)
446.40408

>  <Cat> (59)
S3825

>  <Name> (59)
Glycitin

>  <Synonyms> (59)
Glycitein-7-¦Â-O-glucoside

>  <Target> (59)
Others

>  <Form> (59)
free base

>  <CAS> (59)
40246-10-4

>  <URL> (59)
http://www.selleckchem.com/products/glycitin.html

$$$$
S3833 Amentoflavone.cdx
csChFnd80/03272414162D

 40 45  0  0  0  0  0  0  0  0999 V2000
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   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C30H18O10

>  <MolWeight> (60)
538.45792

>  <Cat> (60)
S3833

>  <Name> (60)
Amentoflavone

>  <Synonyms> (60)
Didemethyl Ginkgetin

>  <Target> (60)
Others

>  <Form> (60)
free base

>  <CAS> (60)
1617-53-4

>  <URL> (60)
http://www.selleckchem.com/products/amentoflavone.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/03272414162D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C17H26O4

>  <MolWeight> (61)
294.38594

>  <Cat> (61)
S3836

>  <Name> (61)
6-Gingerol

>  <Synonyms> (61)
CI-1011

>  <Target> (61)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (61)
free base

>  <CAS> (61)
23513-14-6

>  <URL> (61)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/03272414162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C27H30O10

>  <MolWeight> (62)
514.5211

>  <Cat> (62)
S3840

>  <Name> (62)
Baohuoside I

>  <Synonyms> (62)
Icariside II

>  <Target> (62)
ROS

>  <CAS> (62)
113558-15-9

>  <URL> (62)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/03272414162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C21H20O12

>  <MolWeight> (63)
464.3763

>  <Cat> (63)
S3842

>  <Name> (63)
Isoquercitrin

>  <Synonyms> (63)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (63)
Wnt/¦Â-catenin

>  <Form> (63)
free base

>  <CAS> (63)
482-35-9

>  <URL> (63)
http://www.selleckchem.com/products/isoquercitrin.html

$$$$
S3782 Neomangiferin.cdx
csChFnd80/03272414162D

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 15  9  1  1  0  0  0
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 37 40  1  6  0  0  0
 38 41  1  0  0  0  0
M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C25H28O16

>  <MolWeight> (64)
584.48022

>  <Cat> (64)
S3782

>  <Name> (64)
Neomangiferin

>  <Synonyms> (64)
Mangiferin 7-glucoside

>  <Target> (64)
Others

>  <Form> (64)
free base

>  <CAS> (64)
64809-67-2

>  <URL> (64)
http://www.selleckchem.com/products/neomangiferin.html

$$$$
S3784 Obacunone.cdx
csChFnd80/03272414162D

 35 40  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.1628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.3566    3.4726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.1413    2.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    4.1870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716    4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C26H30O7

>  <MolWeight> (65)
454.5122

>  <Cat> (65)
S3784

>  <Name> (65)
Obacunone

>  <Synonyms> (65)
N/A

>  <Target> (65)
Nrf2,Aromatase

>  <Form> (65)
free base

>  <CAS> (65)
751-03-1

>  <URL> (65)
http://www.selleckchem.com/products/obacunone.html

$$$$
S3786 Glabridin.cdx
csChFnd80/03272414162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 13 23  1  0  0  0  0
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M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C20H20O4

>  <MolWeight> (66)
324.3704

>  <Cat> (66)
S3786

>  <Name> (66)
Glabridin

>  <Synonyms> (66)
Q-100692, KB-289522, LS-176045

>  <Target> (66)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (66)
free base

>  <CAS> (66)
59870-68-7

>  <URL> (66)
http://www.selleckchem.com/products/glabridin.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/03272414162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
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  3  8  2  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C17H14O5

>  <MolWeight> (67)
298.29006

>  <Cat> (67)
S3918

>  <Name> (67)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (67)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (67)
Others

>  <Form> (67)
free base

>  <CAS> (67)
5128-44-9

>  <URL> (67)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3929 Liquiritigenin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (68)
68

>  <Formula> (68)
C15H12O4

>  <MolWeight> (68)
256.25338

>  <Cat> (68)
S3929

>  <Name> (68)
Liquiritigenin

>  <Synonyms> (68)
4',7-Dihydroxyflavanone

>  <Target> (68)
ER¦Â,VEGF

>  <Form> (68)
free base

>  <CAS> (68)
578-86-9

>  <URL> (68)
http://www.selleckchem.com/products/liquiritigenin.html

$$$$
S3930 Liquiritin.cdx
csChFnd80/03272414162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (69)
69

>  <Formula> (69)
C21H22O9

>  <MolWeight> (69)
418.39398

>  <Cat> (69)
S3930

>  <Name> (69)
Liquiritin

>  <Synonyms> (69)
Liquiritoside, Liquiritigenin-4'-O-glucoside

>  <Target> (69)
Others

>  <Form> (69)
free base

>  <CAS> (69)
551-15-5

>  <URL> (69)
http://www.selleckchem.com/products/liquiritin.html

$$$$
S3932 Astilbin.cdx
csChFnd80/03272414162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (70)
70

>  <Formula> (70)
C21H22O11

>  <MolWeight> (70)
450.39278

>  <Cat> (70)
S3932

>  <Name> (70)
Astilbin

>  <Synonyms> (70)
Isoastilbin, Neoastilbin, Neoisoastilbin, Taxifolin 3-O-rhamnoside, Taxifolin 3-rhamnoside

>  <Target> (70)
Immunology & Inflammation related

>  <Form> (70)
free base

>  <CAS> (70)
29838-67-3

>  <URL> (70)
http://www.selleckchem.com/products/astilbin.html

$$$$
S3846 Eupatilin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (71)
71

>  <Formula> (71)
C18H16O7

>  <MolWeight> (71)
344.31544

>  <Cat> (71)
S3846

>  <Name> (71)
Eupatilin

>  <Synonyms> (71)
NSC 122413

>  <Target> (71)
Others

>  <Form> (71)
free base

>  <CAS> (71)
22368-21-4

>  <URL> (71)
http://www.selleckchem.com/products/eupatilin.html

$$$$
S3875 Alpinetin.cdx
csChFnd80/03272414162D

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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C16H14O4

>  <MolWeight> (72)
270.27996

>  <Cat> (72)
S3875

>  <Name> (72)
Alpinetin

>  <Synonyms> (72)
N/A

>  <Target> (72)
Others

>  <Form> (72)
free base

>  <CAS> (72)
36052-37-6

>  <URL> (72)
http://www.selleckchem.com/products/alpinetin.html

$$$$
S3877 Lysionotin.cdx
csChFnd80/03272414162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0615    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    4.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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 10  7  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
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 10 12  1  0  0  0  0
 14 15  2  0  0  0  0
 19 14  1  0  0  0  0
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 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C18H16O7

>  <MolWeight> (73)
344.31544

>  <Cat> (73)
S3877

>  <Name> (73)
Lysionotin

>  <Synonyms> (73)
N/A

>  <Target> (73)
Immunology & Inflammation related

>  <Form> (73)
free base

>  <CAS> (73)
152743-19-6

>  <URL> (73)
http://www.selleckchem.com/products/lysionotin.html

$$$$
S3878 Bavachinin.cdx
csChFnd80/03272414162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2761    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4953    2.0979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0691    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    4.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    4.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7086    2.7984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8531    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    4.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    6.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C21H22O4

>  <MolWeight> (74)
338.39698

>  <Cat> (74)
S3878

>  <Name> (74)
Bavachinin

>  <Synonyms> (74)
7-O-Methylbavachin

>  <Target> (74)
PPAR

>  <Form> (74)
free base

>  <CAS> (74)
19879-30-2

>  <URL> (74)
http://www.selleckchem.com/products/bavachinin.html

$$$$
S3800 Lycorine hydrochloride.cdx
csChFnd80/03272414162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.7871    2.8003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9973    2.0984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5771    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    4.1968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9973    0.7019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2110    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3634    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    4.8987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.7871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 22  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 23  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  1  0  0  0
  9 14  1  0  0  0  0
 12 13  1  0  0  0  0
 15 18  2  0  0  0  0
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 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C16H18ClNO4

>  <MolWeight> (75)
323.77142

>  <Cat> (75)
S3800

>  <Name> (75)
Lycorine hydrochloride

>  <Synonyms> (75)
Galanthidine hydrochloride, Amarylline hydrochloride, Narcissine hydrochloride, Licorine hydrochlorid

>  <Target> (75)
HCV proteases

>  <Form> (75)
hydrochloride

>  <CAS> (75)
2188-68-3

>  <URL> (75)
http://www.selleckchem.com/products/lycorine-hydrochloride.html

$$$$
S3808 Mangiferin.cdx
csChFnd80/03272414162D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4961    4.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4961    5.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    3.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    3.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7132    6.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3011    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    4.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    2.1213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9238    4.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    2.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9207    5.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1031    5.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    3.5216    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1392    3.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3281    5.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6432    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6432    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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 13  7  1  1  0  0  0
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 11 15  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  6  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  1  0  0  0
 22 28  1  1  0  0  0
 22 26  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C19H18O11

>  <MolWeight> (76)
422.33962

>  <Cat> (76)
S3808

>  <Name> (76)
Mangiferin

>  <Synonyms> (76)
Alpizarin, Chinomin, Hedysarid

>  <Target> (76)
Others

>  <Form> (76)
free base

>  <CAS> (76)
4773-96-0

>  <URL> (76)
http://www.selleckchem.com/products/mangiferin.html

$$$$
S3925 (-)-Epicatechin gallate.cdx
csChFnd80/03272414162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0625    2.8070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2096    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C22H18O10

>  <MolWeight> (77)
442.37232

>  <Cat> (77)
S3925

>  <Name> (77)
(-)-Epicatechin gallate

>  <Synonyms> (77)
(-)-ECG, (-)-Epicatechin 3-gallate, (-)-Epicatechin-3-O-gallate

>  <Target> (77)
Others

>  <Form> (77)
free base

>  <CAS> (77)
1257-08-5

>  <URL> (77)
http://www.selleckchem.com/products/epicatechin-gallate.html

$$$$
p276-00.cdx
csChFnd80/03272414162D

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 13  8  1  0  0  0  0
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 21 17  1  6  0  0  0
M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C21H21Cl2NO5

>  <MolWeight> (78)
438.30114

>  <Cat> (78)
S8058

>  <Name> (78)
P276-00

>  <Synonyms> (78)
N/A

>  <Target> (78)
CDK

>  <Form> (78)
HCl

>  <CAS> (78)
920113-03-7

>  <URL> (78)
https://www.selleckchem.com/products/p276-00.html

$$$$
S3910 4',7-Dimethoxyisoflavone.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C17H14O4

>  <MolWeight> (79)
282.29066

>  <Cat> (79)
S3910

>  <Name> (79)
4',7-Dimethoxyisoflavone

>  <Synonyms> (79)
N/A

>  <Target> (79)
Others

>  <Form> (79)
free base

>  <CAS> (79)
1157-39-7

>  <URL> (79)
http://www.selleckchem.com/products/4-7-dimethoxyisoflavone.html

$$$$
S3922 (-)-epigallocatechin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C15H14O7

>  <MolWeight> (80)
306.26746

>  <Cat> (80)
S3922

>  <Name> (80)
(-)-epigallocatechin

>  <Synonyms> (80)
N/A

>  <Target> (80)
Others

>  <Form> (80)
free base

>  <CAS> (80)
970-74-1

>  <URL> (80)
http://www.selleckchem.com/products/neg-rotation-epigallocatechin.html

$$$$
S3903 Lycorine.cdx
csChFnd80/03272414162D

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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C16H17NO4

>  <MolWeight> (81)
287.31048

>  <Cat> (81)
S3903

>  <Name> (81)
Lycorine

>  <Synonyms> (81)
Galanthidine, Amarylline, Narcissine, Licorine, Belamarine

>  <Target> (81)
acetylcholinesterase 

>  <Form> (81)
free base

>  <CAS> (81)
476-28-8

>  <URL> (81)
http://www.selleckchem.com/products/lycorine.html

$$$$
S3818 Tectoridin.cdx
csChFnd80/03272414162D

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    4.7915    4.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5873    2.0471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0610    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2715    3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7915    5.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063    3.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3705    1.3880    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2715    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4947    4.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021    4.1641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1853    2.0978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3261    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4947    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    3.4732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4338    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6928    6.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0127    4.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 13  1  1  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  6  0  0  0
 22 27  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  6  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C22H22O11

>  <MolWeight> (82)
462.40348

>  <Cat> (82)
S3818

>  <Name> (82)
Tectoridin

>  <Synonyms> (82)
Shekanin

>  <Target> (82)
Others

>  <Form> (82)
free base

>  <CAS> (82)
611-40-5

>  <URL> (82)
http://www.selleckchem.com/products/tectoridin.html

$$$$
S4790 3-Hydroxyflavone.cdx
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    2.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8537    4.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    4.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    4.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    4.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    2.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    6.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    4.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    4.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C15H10O3

>  <MolWeight> (83)
238.2381

>  <Cat> (83)
S4790

>  <Name> (83)
3-Hydroxyflavone

>  <Synonyms> (83)
Flavon-3-ol, 3-HF, 3-Hydroxy-2-phenylchromone

>  <Target> (83)
Others

>  <Form> (83)
free base

>  <CAS> (83)
577-85-5

>  <URL> (83)
http://www.selleckchem.com/products/3-hydroxyflavone.html

$$$$
S4782 5-methoxyflavone.cdx
csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    4.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    4.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    4.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    6.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    6.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    7.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2722    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4865    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4853    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C16H12O3

>  <MolWeight> (84)
252.26468

>  <Cat> (84)
S4782

>  <Name> (84)
5-methoxyflavone

>  <Synonyms> (84)
N/A

>  <Target> (84)
DNA polymerase ¦Â

>  <Form> (84)
free base

>  <CAS> (84)
42079-78-7

>  <URL> (84)
http://www.selleckchem.com/products/5-methoxyflavone.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/03272414162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.4996    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138    1.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5040    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9397    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7259    4.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9354    3.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6528    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C15H12O2

>  <MolWeight> (85)
224.25458

>  <Cat> (85)
S4763

>  <Name> (85)
4-Hydroxychalcone

>  <Synonyms> (85)
P-Cinnamoylphenol

>  <Target> (85)
Others

>  <Form> (85)
free base

>  <CAS> (85)
20426-12-4

>  <URL> (85)
http://www.selleckchem.com/products/4-hydroxychalcone.html

$$$$
S4765 Syringaldehyde.cdx
csChFnd80/03272414162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2252    2.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0128    2.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    4.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    0.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8405    4.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8405    6.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0486    4.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C9H10O4

>  <MolWeight> (86)
182.1733

>  <Cat> (86)
S4765

>  <Name> (86)
Syringaldehyde

>  <Synonyms> (86)
Syringic aldehyde

>  <Target> (86)
Others

>  <Form> (86)
free base

>  <CAS> (86)
134-96-3

>  <URL> (86)
http://www.selleckchem.com/products/syringaldehyde.html

$$$$
S3967 Flavone.cdx
csChFnd80/03272414162D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4322    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    4.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    2.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    2.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    4.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    6.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0584    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C15H10O2

>  <MolWeight> (87)
222.2387

>  <Cat> (87)
S3967

>  <Name> (87)
Flavone

>  <Synonyms> (87)
 2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron

>  <Target> (87)
Others

>  <Form> (87)
free base

>  <CAS> (87)
525-82-6

>  <URL> (87)
http://www.selleckchem.com/products/flavone.html

$$$$
S3879 kaempferide.cdx
csChFnd80/03272414162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C16H12O6

>  <MolWeight> (88)
300.26288

>  <Cat> (88)
S3879

>  <Name> (88)
kaempferide

>  <Synonyms> (88)
4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether

>  <Target> (88)
Others

>  <Form> (88)
free base

>  <CAS> (88)
491-54-3
491-54-3

>  <URL> (88)
http://selleckchem.com/products/kaempferide.html

$$$$
S3776 Sophoricoside.cdx
csChFnd80/03272414162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6274    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    4.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0362    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    2.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2510    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6657    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    0.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    0.7203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3279    0.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0972    2.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5054    0.7321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3496    2.8089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8848    2.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5170    2.1165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7177    0.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3496    4.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7294    2.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9350    0.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  1  0  0  0
 24 27  1  0  0  0  0
 24 28  1  6  0  0  0
 25 29  1  6  0  0  0
 25 27  1  0  0  0  0
 27 30  1  1  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C21H20O10

>  <MolWeight> (89)
432.3775

>  <Cat> (89)
S3776

>  <Name> (89)
Sophoricoside

>  <Synonyms> (89)
N/A

>  <Target> (89)
Immunology & Inflammation related

>  <CAS> (89)
152-95-4

>  <URL> (89)
http://selleckchem.com/products/sophoricoside.html

$$$$
S4940 Maltol.cdx
csChFnd80/03272414162D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4239    2.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    2.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.7806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    0.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C6H6O3

>  <MolWeight> (90)
126.11004

>  <Cat> (90)
S4940

>  <Name> (90)
Maltol

>  <Synonyms> (90)
Larixinic acid, Palatone, Veltol

>  <Target> (90)
Others

>  <CAS> (90)
118-71-8

>  <URL> (90)
http://selleckchem.com/products/maltol.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/03272414162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2689    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    3.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5114    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4818    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    3.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    3.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C15H12O2

>  <MolWeight> (91)
224.25458

>  <Cat> (91)
S4937

>  <Name> (91)
4'-Hydroxychalcone

>  <Synonyms> (91)
P-Cinnamoylphenol

>  <Target> (91)
Others

>  <Form> (91)
free base

>  <CAS> (91)
2657-25-2

>  <URL> (91)
http://selleckchem.com/products/hydroxychalcone.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/03272414162D

 44 48  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    2.7927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4702    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6827    2.7927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4702    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7364    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5820    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5820    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0026    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  1  9  1  1  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  6  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
 11 36  1  6  0  0  0
 13 37  1  6  0  0  0
 12 38  1  1  0  0  0
 19 39  1  0  0  0  0
 23 40  2  0  0  0  0
 31 41  1  0  0  0  0
 30 42  1  0  0  0  0
 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C29H36O15

>  <MolWeight> (92)
624.58714

>  <Cat> (92)
S2323

>  <Name> (92)
Methyl-Hesperidin

>  <Form> (92)
free base

>  <CAS> (92)
 11013-97-1

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C15H14O6

>  <MolWeight> (93)
290.26806

>  <Cat> (93)
S4722

>  <Name> (93)
(+)-Catechin

>  <Synonyms> (93)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (93)
Others

>  <Form> (93)
Free Base

>  <CAS> (93)
154-23-4

>  <URL> (93)
http://www.selleckchem.com/products/catechin.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/03272414162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5771    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    4.2112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4211    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0509    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6124    7.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  7  1  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C21H18O12

>  <MolWeight> (94)
462.36042

>  <Cat> (94)
S3810

>  <Name> (94)
Scutellarin

>  <Synonyms> (94)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (94)
Others

>  <Form> (94)
free base

>  <CAS> (94)
27740-01-8

>  <URL> (94)
http://www.selleckchem.com/products/scutellarin.html

$$$$
Flavoxate HCL.cdx
csChFnd80/03272414162D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.3783    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    4.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    6.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    7.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1964    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    8.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1964    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3947    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    9.6972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3947    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   10.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   10.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   11.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   11.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   12.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5789    9.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C24H26ClNO4

>  <MolWeight> (95)
427.92054

>  <Cat> (95)
S4027

>  <Name> (95)
Flavoxate HCl

>  <Synonyms> (95)
N/A

>  <Target> (95)
AChR

>  <Form> (95)
hydrochloride

>  <CAS> (95)
3717-88-2

>  <URL> (95)
http://www.selleckchem.com/products/flavoxate-hcl.html

$$$$
Butein.cdx
csChFnd80/03272414162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    5.6013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0837    3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9342    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9365    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7255    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C15H12O5

>  <MolWeight> (96)
272.25278

>  <Cat> (96)
S8036

>  <Name> (96)
Butein

>  <Synonyms> (96)
N/A

>  <Target> (96)
EGFR

>  <Form> (96)
Free Base

>  <CAS> (96)
487-52-5

>  <URL> (96)
https://www.selleckchem.com/products/butein.html

$$$$
Diosmin.cdx
csChFnd80/03272414162D

 43 47  0  0  0  0  0  0  0  0999 V2000
    1.2082   11.8830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207    9.7830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6331   11.8830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207   12.5830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   12.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   13.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6289    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1075    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3157    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7406    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
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 30 35  1  0  0  0  0
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 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C28H32O15

>  <MolWeight> (97)
608.54468

>  <Cat> (97)
S2292

>  <Name> (97)
Diosmin

>  <Synonyms> (97)
N/A

>  <Target> (97)
Others

>  <Form> (97)
Free Base

>  <CAS> (97)
520-27-4

>  <URL> (97)
http://www.selleckchem.com/products/Diosmin.html

$$$$
Xanthohumol.cdx
csChFnd80/03272414162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9288    7.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 15  1  0  0  0  0
  4 16  1  0  0  0  0
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 16 18  2  0  0  0  0
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 25 20  1  0  0  0  0
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M  CFW   8 B_NG_STER 2
M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C21H22O5

>  <MolWeight> (98)
354.39638

>  <Cat> (98)
S7889

>  <Name> (98)
Xanthohumol

>  <Synonyms> (98)
N/A

>  <Target> (98)
COX

>  <Form> (98)
Free Base

>  <CAS> (98)
6754-58-1

>  <URL> (98)
http://www.selleckchem.com/products/xanthohumol.html

$$$$
S3763 Cinnamaldehyde.cdx
csChFnd80/03272414162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C9H8O

>  <MolWeight> (99)
132.15922

>  <Cat> (99)
S3763

>  <Name> (99)
Cinnamaldehyde

>  <Synonyms> (99)
N/A

>  <Target> (99)
TRPA1

>  <Form> (99)
free base

>  <CAS> (99)
14371-10-9

>  <URL> (99)
http://www.selleckchem.com/products/cinnamaldehyde.html

$$$$
S5105 Proanthocyanidins.cdx
csChFnd80/03272414162D

 43 48  0  0  0  0  0  0  0  0999 V2000
    6.0914    6.7401    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4396    7.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    6.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0914    8.1290    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4455    6.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327    8.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8006    4.3250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6406    6.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    8.8388    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3120    8.8388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7680    6.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1553    8.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775    3.0381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4117    4.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 18  1  0  0  0  0
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 27 34  2  0  0  0  0
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 30 37  2  0  0  0  0
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 36 41  2  0  0  0  0
 37 41  1  0  0  0  0
 39 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C30H26O13

>  <MolWeight> (100)
594.51964

>  <Cat> (100)
S5105

>  <Name> (100)
Proanthocyanidins

>  <Synonyms> (100)
condensed tannins

>  <Target> (100)
others

>  <Form> (100)
free base

>  <CAS> (100)
20347-71-1

>  <URL> (100)
http://www.selleckchem.com/products/proanthocyanidins.html

$$$$
Licochalcone A.cdx
csChFnd80/03272414162D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10 12  2  0  0  0  0
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 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C21H22O4

>  <MolWeight> (101)
338.39698

>  <Cat> (101)
S7828

>  <Name> (101)
Licochalcone A

>  <Synonyms> (101)
N/A

>  <Target> (101)
Estrogen/progestogen Receptor

>  <Form> (101)
Free Base

>  <CAS> (101)
58749-22-7

>  <URL> (101)
http://www.selleckchem.com/products/licochalcone-a.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C15H10O4

>  <MolWeight> (102)
254.2375

>  <Cat> (102)
S8319

>  <Name> (102)
7,8-Dihydroxyflavone

>  <Synonyms> (102)
7,8-DHF

>  <Target> (102)
Trk receptor

>  <Form> (102)
Free Base

>  <CAS> (102)
38183-03-8

>  <URL> (102)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
Deguelin.cdx
csChFnd80/03272414162D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
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 17 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C23H22O6

>  <MolWeight> (103)
394.41718

>  <Cat> (103)
S8132

>  <Name> (103)
Deguelin

>  <Synonyms> (103)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (103)
Akt

>  <Form> (103)
Free Base

>  <CAS> (103)
522-17-8

>  <URL> (103)
http://www.selleckchem.com/products/deguelin.html

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C15H14O6

>  <MolWeight> (104)
290.26806

>  <Cat> (104)
S3974

>  <Name> (104)
(+)-Catechin hydrate

>  <Synonyms> (104)
N/A

>  <Target> (104)
Others

>  <Form> (104)
hydrate 

>  <CAS> (104)
225937-10-0

>  <URL> (104)
http://selleckchem.com/products/catechin-hydrate.html

$$$$

csChFnd80/03272414162D

  1  0  0  0  0  0  0  0  0  0999 V2000
   30.0250  -27.2750    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No structure
M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
R

>  <Cat> (105)
S2305

>  <Name> (105)
Grape Seed Extract

>  <Synonyms> (105)
N/A

>  <Target> (105)
Others

>  <CAS> (105)
84929-27-1

>  <URL> (105)
http://www.selleckchem.com/products/Grape-Seed-Extract.html

$$$$
TGR-1202.cdx
csChFnd80/03272414162D

 42 47  0  0  0  0  0  0  0  0999 V2000
    1.2124   11.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    9.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2808    4.7675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    6.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7766    7.1393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7517    4.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    4.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4982    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3211    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0678    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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  1 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
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 17 18  1  0  0  0  0
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 21 13  1  0  0  0  0
 18 22  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 16  1  0  0  0  0
 25 27  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 26  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C31H24F3N5O3

>  <MolWeight> (106)
571.5491696

>  <Cat> (106)
S8194

>  <Name> (106)
TGR-1202

>  <Synonyms> (106)
Rp-5264

>  <Target> (106)
PI3K

>  <Form> (106)
Free Base

>  <CAS> (106)
1532533-67-7

>  <URL> (106)
http://www.selleckchem.com/products/tgr-1202.html

$$$$

csChFnd80/03272414162D

  1  0  0  0  0  0  0  0  0  0999 V2000
    7.5250   -9.3000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No structure
M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
R

>  <Cat> (107)
S5132

>  <Name> (107)
Casanthranol

>  <Synonyms> (107)
N/A

>  <Target> (107)
Others

>  <CAS> (107)
8024-48-4

>  <URL> (107)
http://www.selleckchem.com/products/casanthranol.html

$$$$
S5110 Safflower Yellow.cdx
csChFnd80/03272414162D

 67 72  0  0  0  0  0  0  0  0999 V2000
   13.8820    8.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4164    9.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8820    7.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0930    9.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    8.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0930    6.6123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9355    6.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C43H42O22

>  <MolWeight> (108)
910.78038

>  <Cat> (108)
S5110

>  <Name> (108)
Safflower Yellow

>  <Synonyms> (108)
Safflor Yellow

>  <Target> (108)
Others

>  <Form> (108)
free base

>  <CAS> (108)
36338-96-2

>  <URL> (108)
http://www.selleckchem.com/products/safflower-yellow.html

$$$$
2-D08.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C15H10O5

>  <MolWeight> (109)
270.2369

>  <Cat> (109)
S8696

>  <Name> (109)
2-D08
2-D08

>  <Synonyms> (109)
2',3',4'-trihydroxy flavone

>  <Target> (109)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (109)
free base

>  <CAS> (109)
144707-18-6

>  <URL> (109)
http://selleckchem.com/products/2-d08.html

$$$$
S5318 Acacetin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C16H12O5

>  <MolWeight> (110)
284.26348

>  <Cat> (110)
S5318

>  <Name> (110)
Acacetin

>  <Synonyms> (110)
Linarigenin, 5,7-dihydroxy-4'-methoxyflavone, 4'-Methoxyapigenin

>  <Target> (110)
Immunology & Inflammation related

>  <Form> (110)
free base

>  <CAS> (110)
480-44-4

>  <URL> (110)
http://selleckchem.com/products/acacetin.html

$$$$
S5158 alpha-Naphthoflavone.cdx
csChFnd80/03272414162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C19H12O2

>  <MolWeight> (111)
272.29738

>  <Cat> (111)
S5158

>  <Name> (111)
alpha-Naphthoflavone

>  <Synonyms> (111)
7,8-benzoflavone

>  <Target> (111)
Aromatase

>  <Form> (111)
free base

>  <CAS> (111)
604-59-1

>  <URL> (111)
http://selleckchem.com/products/alpha-naphthoflavone.html

$$$$
S5380 7-Hydroxyflavone.cdx
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C15H10O3

>  <MolWeight> (112)
238.2381

>  <Cat> (112)
S5380

>  <Name> (112)
7-Hydroxyflavone

>  <Synonyms> (112)
N/A

>  <Form> (112)
free base

>  <CAS> (112)
6665-86-7 

>  <URL> (112)
http://selleckchem.com/products/7-hydroxyflavone.html

$$$$
S5453 Hyperoside.cdx
csChFnd80/03272414162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    7.0063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    8.4063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9082    7.0189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2600    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    8.4189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1243    6.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6776   10.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1097    9.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1316    4.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  6  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  1  0  0  0
 25 31  1  1  0  0  0
 25 29  1  0  0  0  0
 29 32  1  1  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C21H20O12

>  <MolWeight> (113)
464.3763

>  <Cat> (113)
S5453

>  <Name> (113)
Hyperoside

>  <Synonyms> (113)
Hyperin, Quercetin 3-galactoside

>  <Target> (113)
Others

>  <Form> (113)
free base

>  <CAS> (113)
482-36-0

>  <URL> (113)
http://selleckchem.com/products/hyperoside.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/03272414162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    4.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C20H20O4

>  <MolWeight> (114)
324.3704

>  <Cat> (114)
S5456

>  <Name> (114)
Isobavachalcone

>  <Synonyms> (114)
Corylifolinin

>  <Target> (114)
Anti-infection

>  <Form> (114)
free base

>  <CAS> (114)
20784-50-3

>  <URL> (114)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5460 Vitexin-2-O-rhaMnoside.cdx
csChFnd80/03272414162D

 41 45  0  0  0  0  0  0  0  0999 V2000
    7.2666    6.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    5.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666    7.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    5.5907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    4.1955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6917    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    8.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    8.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8416    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    3.4954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2666    3.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9000    5.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4792    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2083    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1084    3.4954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3195    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1086    2.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5319    3.5017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3195    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3221    1.3995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5337    2.1007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7403    4.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3221    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7420    1.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 12  2  0  0  0  0
  9 17  1  0  0  0  0
  9 14  2  0  0  0  0
 10 18  1  6  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 32 18  1  1  0  0  0
 19 23  1  0  0  0  0
 19 24  1  1  0  0  0
 20 25  1  1  0  0  0
 20 23  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  6  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  6  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  6  0  0  0
 37 40  1  6  0  0  0
 37 38  1  0  0  0  0
 38 41  1  1  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C27H30O14

>  <MolWeight> (115)
578.5187

>  <Cat> (115)
S5460

>  <Name> (115)
Vitexin-2-O-rhaMnoside

>  <Synonyms> (115)
2''-O-Rhamnosylvitexin, Apigenin-8-C-glucoside

>  <Target> (115)
Others

>  <Form> (115)
free base

>  <CAS> (115)
64820-99-1

>  <URL> (115)
http://selleckchem.com/products/vitexin-2-o-rhamnoside.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/03272414162D

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2084    7.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    8.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    7.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    8.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    4.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4961   10.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    9.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9213   10.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2794    5.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0709    3.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    2.1042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2740    1.3979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4951    2.0992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4968    3.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7052    4.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    0.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7034    1.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    3.4988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9117    2.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    1.3953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3426    2.0974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3435    3.4974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1249    4.2012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5510    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1249    5.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5519    4.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  6  0  0  0
 25 29  1  6  0  0  0
 24 30  1  1  0  0  0
 26 31  1  1  0  0  0
 32 28  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 37 40  1  6  0  0  0
 36 41  1  6  0  0  0
 30 42  1  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C27H30O15

>  <MolWeight> (116)
594.5181

>  <Cat> (116)
S5468

>  <Name> (116)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (116)
Kaempferol 3-neohesperidoside

>  <Target> (116)
Others

>  <Form> (116)
salt

>  <CAS> (116)
40437-72-7

>  <URL> (116)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5469 Bavachin.cdx
csChFnd80/03272414162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4770    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6853    2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4770    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8959    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8905    5.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0950    6.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3126    5.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3180    4.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1058    3.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0629    1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0629    4.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4770    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4246    2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5213    6.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  6  0  0  0
  3  4  1  0  0  0  0
 12  4  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C20H20O4

>  <MolWeight> (117)
324.3704

>  <Cat> (117)
S5469

>  <Name> (117)
Bavachin

>  <Synonyms> (117)
Corylifolin

>  <Target> (117)
Estrogen/progestogen Receptor

>  <Form> (117)
free base

>  <CAS> (117)
19879-32-4

>  <URL> (117)
http://selleckchem.com/products/bavachin.html

$$$$
S5529 Galangin.cdx
csChFnd80/03272414162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    4.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C15H10O5

>  <MolWeight> (118)
270.2369

>  <Cat> (118)
S5529

>  <Name> (118)
Galangin

>  <Synonyms> (118)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (118)
P450 (e.g. CYP17)

>  <Form> (118)
free base

>  <CAS> (118)
548-83-4

>  <URL> (118)
http://selleckchem.com/products/galangin.html

$$$$
S9378 4',5-Dihydroxyflavone.cdx
csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  4 10  1  0  0  0  0
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  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C15H10O4

>  <MolWeight> (119)
254.2375

>  <Cat> (119)
S9378

>  <Name> (119)
4',5-Dihydroxyflavone

>  <Form> (119)
free base

>  <CAS> (119)
6665-67-4

$$$$
S9387 Maackiain.cdx
csChFnd80/03272414162D

 23 27  0  0  0  0  0  0  0  0999 V2000
    6.7524    2.5510    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9419    1.4102    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1281    2.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9631    3.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263    1.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5014    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7113    1.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9660    3.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6242    3.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514    1.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8862    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1231    0.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3740    3.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3543    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1393    1.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9408    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1331    3.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8215    1.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3253    1.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266    3.6472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0421    0.1032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 22  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 23  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C16H12O5

>  <MolWeight> (120)
284.26348

>  <Cat> (120)
S9387

>  <Name> (120)
Maackiain

>  <CAS> (120)
19908-48-6

$$$$
S9409 Kavain.cdx
csChFnd80/03272414162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8364    2.7961    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6156    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8364    4.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0369    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    2.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (121)
121

>  <Formula> (121)
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>  <MolWeight> (121)
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Kavain

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free base

>  <CAS> (121)
500-64-1

$$$$
S9412 Flavokawain B.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (122)
122

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>  <MolWeight> (122)
284.30654

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S9412

>  <Name> (122)
Flavokawain B

>  <Form> (122)
free base

>  <CAS> (122)
1775-97-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (123)
123

>  <Formula> (123)
C22H22O11

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462.40348

>  <Cat> (123)
S9417

>  <Name> (123)
Homoplantaginin

>  <Form> (123)
free base

>  <CAS> (123)
17680-84-1

$$$$
S9421 Demethylnobiletin.cdx
csChFnd80/03272414162D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (124)
124

>  <Formula> (124)
C20H20O8

>  <MolWeight> (124)
388.368

>  <Cat> (124)
S9421

>  <Name> (124)
Demethylnobiletin

>  <Form> (124)
free base

>  <CAS> (124)
2174-59-6

$$$$
S9423 Narcissoside.cdx
csChFnd80/03272414162D

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604-80-8

$$$$
S9425 Trifolirhizin.cdx
csChFnd80/03272414162D

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free base

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6807-83-6

$$$$
S9428 Brazilin.cdx
csChFnd80/03272414162D

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Brazilin

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free base

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474-07-7

$$$$
S9437 Echinatin.cdx
csChFnd80/03272414162D

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34221-41-5

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csChFnd80/03272414162D

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480-43-3

$$$$
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csChFnd80/03272414162D

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csChFnd80/03272414162D

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    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C15H12O

>  <MolWeight> (131)
208.25518

>  <Cat> (131)
S5845

>  <Name> (131)
Chalcone

>  <Synonyms> (131)
benzylideneacetophenone, phenyl styryl ketone, benzalacetophenone, ¦Â-phenylacrylophenone

>  <Target> (131)
Others

>  <Form> (131)
Free Base

>  <CAS> (131)
94-41-7

>  <URL> (131)
http://www.selleckchem.com/products/chalcone.html

$$$$

csChFnd80/03272414162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C16H14O2

>  <MolWeight> (132)
238.28116

>  <Cat> (132)
S5851

>  <Name> (132)
4'-Methoxychalcone

>  <Synonyms> (132)
N/A

>  <Target> (132)
Others

>  <Form> (132)
Free Base

>  <CAS> (132)
959-23-9

>  <URL> (132)
http://www.selleckchem.com/products/4-methoxychalcone.html

$$$$

csChFnd80/03272414162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C16H14O3

>  <MolWeight> (133)
254.28056

>  <Cat> (133)
S5853

>  <Name> (133)
2'-Hydroxy-2-methoxychalcone

>  <Synonyms> (133)
N/A

>  <Target> (133)
Others

>  <Form> (133)
Free Base

>  <CAS> (133)
42220-77-9

>  <URL> (133)
http://www.selleckchem.com/products/2-hydroxy-2-methoxychalcone.html

$$$$

csChFnd80/03272414162D

 30 24  0  0  0  0  0  0  0  0999 V2000
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   15.3183    0.0107    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
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 13 15  2  0  0  0  0
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 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C12H10BiK3O14

>  <MolWeight> (134)
704.47468

>  <Cat> (134)
S5866

>  <Name> (134)
Gastrodenol

>  <Form> (134)
Free Base

>  <CAS> (134)
57644-54-9

$$$$
S9028 Cimifugin.cdx
csChFnd80/03272414162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 16  3  1  0  0  0  0
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 15  4  2  0  0  0  0
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 10  6  1  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C16H18O6

>  <MolWeight> (135)
306.31052

>  <Cat> (135)
S9028

>  <Name> (135)
Cimifugin

>  <Form> (135)
free base

>  <CAS> (135)
37921-38-3

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/03272414162D

 46 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C29H34O15

>  <MolWeight> (140)
622.57126

>  <Cat> (140)
S9054

>  <Name> (140)
Pectolinarin

>  <Form> (140)
free base

>  <CAS> (140)
28978-02-1

$$$$
S9058 Gallocatechin gallate.cdx
csChFnd80/03272414162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C22H18O11

>  <MolWeight> (141)
458.37172

>  <Cat> (141)
S9058

>  <Name> (141)
Gallocatechin gallate

>  <Form> (141)
free base

>  <CAS> (141)
4233-96-9

$$$$
S9059 4'-O-Glucosylvitexin.cdx
csChFnd80/03272414162D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C27H30O15

>  <MolWeight> (142)
594.5181

>  <Cat> (142)
S9059

>  <Name> (142)
4'-O-Glucosylvitexin

>  <Form> (142)
free base

>  <CAS> (142)
38950-94-6

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C27H32O16

>  <MolWeight> (143)
612.53338

>  <Cat> (143)
S9061

>  <Name> (143)
Hydroxy safflor yellow A

>  <Form> (143)
free base

>  <CAS> (143)
78281-02-4

$$$$
S9064 Trilobatin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (144)
144

>  <Formula> (144)
C21H24O10

>  <MolWeight> (144)
436.40926

>  <Cat> (144)
S9064

>  <Name> (144)
Trilobatin

>  <CAS> (144)
4192-90-9

$$$$
S9070 Isoxanthohumol.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C21H22O5

>  <MolWeight> (145)
354.39638

>  <Cat> (145)
S9070

>  <Name> (145)
Isoxanthohumol

>  <Form> (145)
free base

>  <CAS> (145)
70872-29-6

$$$$
S9076 Typhaneoside.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C34H42O20

>  <MolWeight> (146)
770.68528

>  <Cat> (146)
S9076

>  <Name> (146)
Typhaneoside

>  <CAS> (146)
104472-68-6

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C21H20O6

>  <MolWeight> (147)
368.3799

>  <Cat> (147)
S9080

>  <Name> (147)
Anhydroicaritin

>  <Form> (147)
free base

>  <CAS> (147)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/03272414162D

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17306-46-6

$$$$
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csChFnd80/03272414162D

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20633-67-4

$$$$
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csChFnd80/03272414162D

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free base

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28608-75-5

$$$$
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csChFnd80/03272414162D

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40957-83-3

$$$$
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Wogonoside

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free base

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51059-44-0

$$$$
S9120 Scutellarein.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (157)
157

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C15H10O6

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286.2363

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S9120

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Scutellarein

>  <CAS> (157)
529-53-3

$$$$
S9121 Irigenin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (158)
158

>  <Formula> (158)
C18H16O8

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360.31484

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S9121

>  <Name> (158)
Irigenin

>  <Form> (158)
free base

>  <CAS> (158)
548-76-5

$$$$
S9122 Tectorigenin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (159)
159

>  <Formula> (159)
C16H12O6

>  <MolWeight> (159)
300.26288

>  <Cat> (159)
S9122

>  <Name> (159)
Tectorigenin

>  <Form> (159)
free base

>  <CAS> (159)
548-77-6

$$$$
S9123 Eriodictyol.cdx
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (160)
160

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C15H12O6

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288.25218

>  <Cat> (160)
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>  <Name> (160)
Eriodictyol

>  <Form> (160)
free base

>  <CAS> (160)
552-58-9

$$$$
S9125 Apigetrin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (161)
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free base

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578-74-5

$$$$
S9134 Spinosin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (162)
162

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>  <MolWeight> (162)
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S9134

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Spinosin

>  <Form> (162)
free base

>  <CAS> (162)
72063-39-9

$$$$
S9139 5-Methyl-7-methoxyisoflavone.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (163)
163

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>  <MolWeight> (163)
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>  <Cat> (163)
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>  <Name> (163)
5-Methyl-7-methoxyisoflavone

>  <Form> (163)
free base

>  <CAS> (163)
82517-12-2

$$$$
S9170 Engeletin.cdx
csChFnd80/03272414162D

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164

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>  <MolWeight> (164)
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>  <Cat> (164)
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free base

>  <CAS> (164)
572-31-6

$$$$
S9173 Sec-O-Glucosylhamaudol.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C21H26O10

>  <MolWeight> (165)
438.42514

>  <Cat> (165)
S9173

>  <Name> (165)
Sec-O-Glucosylhamaudol

>  <Form> (165)
free base

>  <CAS> (165)
80681-44-3

$$$$
S9189 Oroxin A.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (166)
166

>  <Formula> (166)
C21H20O10

>  <MolWeight> (166)
432.3775

>  <Cat> (166)
S9189

>  <Name> (166)
Oroxin A

>  <Form> (166)
free base

>  <CAS> (166)
57396-78-8

$$$$
S9190 Oroxin B.cdx
csChFnd80/03272414162D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C27H30O15

>  <MolWeight> (167)
594.5181

>  <Cat> (167)
S9190

>  <Name> (167)
Oroxin B

>  <Form> (167)
free base

>  <CAS> (167)
114482-86-9

$$$$
S9192 Vitexin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (168)
168

>  <Formula> (168)
C21H20O10

>  <MolWeight> (168)
432.3775

>  <Cat> (168)
S9192

>  <Name> (168)
Vitexin

>  <Form> (168)
free base

>  <CAS> (168)
3681-93-4

$$$$
S9204 Oroxylin A.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (169)
169

>  <Formula> (169)
C16H12O5

>  <MolWeight> (169)
284.26348

>  <Cat> (169)
S9204

>  <Name> (169)
Oroxylin A

>  <Form> (169)
free base

>  <CAS> (169)
480-11-5

$$$$
S9205 Hydroxygenkwanin.cdx
csChFnd80/03272414162D

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20243-59-8

$$$$
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free base

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13463-28-0

$$$$
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csChFnd80/03272414162D

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Complanatuside

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free base

>  <CAS> (172)
116183-66-5

$$$$
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csChFnd80/03272414162D

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>  <Mol_ID> (173)
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Sinensetin

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free base

>  <CAS> (173)
2306-27-6

$$$$
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$$$$
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$$$$
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csChFnd80/03272414162D

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>  <Cat> (176)
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>  <Form> (176)
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>  <CAS> (176)
14259-46-2

$$$$
S9246 Tiliroside.cdx
csChFnd80/03272414162D

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free base

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20316-62-5

$$$$
S9248 Homoorientin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (178)
178

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448.3769

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Homoorientin

>  <CAS> (178)
4261-42-1

$$$$
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csChFnd80/03272414162D

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>  <Mol_ID> (179)
179

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>  <Cat> (179)
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Isosilybin

>  <Form> (179)
free base

>  <CAS> (179)
72581-71-6

$$$$
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csChFnd80/03272414162D

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>  <Mol_ID> (180)
180

>  <Formula> (180)
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>  <MolWeight> (180)
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>  <Cat> (180)
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>  <Form> (180)
free base

>  <CAS> (180)
31524-62-6

$$$$
S9267 Epimedin A.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (181)
181

>  <Formula> (181)
C39H50O20

>  <MolWeight> (181)
838.8023

>  <Cat> (181)
S9267

>  <Name> (181)
Epimedin A

>  <CAS> (181)
110623-72-8

$$$$
S9270 Dracohodin perochlorate.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (182)
182

>  <Formula> (182)
C17H15ClO7

>  <MolWeight> (182)
366.7498

>  <Cat> (182)
S9270

>  <Name> (182)
Dracohodin perochlorate

>  <Form> (182)
free base

>  <CAS> (182)
125536-25-6

$$$$
S9286 Neobavaisoflavone.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C20H18O4

>  <MolWeight> (183)
322.35452

>  <Cat> (183)
S9286

>  <Name> (183)
Neobavaisoflavone

>  <CAS> (183)
41060-15-5

$$$$
S9287 Genkwanin.cdx
csChFnd80/03272414162D

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>  <Mol_ID> (184)
184

>  <Formula> (184)
C16H12O5

>  <MolWeight> (184)
284.26348

>  <Cat> (184)
S9287

>  <Name> (184)
Genkwanin

>  <Form> (184)
free base

>  <CAS> (184)
437-64-9

$$$$
S9288 Casticin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C19H18O8

>  <MolWeight> (185)
374.34142

>  <Cat> (185)
S9288

>  <Name> (185)
Casticin

>  <Form> (185)
free base

>  <CAS> (185)
479-91-4

$$$$
S9289 Astragalin.cdx
csChFnd80/03272414162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C21H20O11

>  <MolWeight> (186)
448.3769

>  <Cat> (186)
S9289

>  <Name> (186)
Astragalin

>  <Form> (186)
free base

>  <CAS> (186)
480-10-4

$$$$
S9293 Isoliquiritin.cdx
csChFnd80/03272414162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C21H22O9

>  <MolWeight> (187)
418.39398

>  <Cat> (187)
S9293

>  <Name> (187)
Isoliquiritin

>  <CAS> (187)
5041-81-6

$$$$
S9298 Corylin.cdx
csChFnd80/03272414162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C20H16O4

>  <MolWeight> (188)
320.33864

>  <Cat> (188)
S9298

>  <Name> (188)
Corylin

>  <Form> (188)
free base

>  <CAS> (188)
53947-92-5

$$$$
S9312 Cyanidin-3-O-glucoside chloride.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C21H21ClO11

>  <MolWeight> (189)
484.83784

>  <Cat> (189)
S9312

>  <Name> (189)
Cyanidin-3-O-glucoside chloride

>  <Form> (189)
free base

>  <CAS> (189)
7084-24-4

$$$$
S9322 Neodiosmin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C28H32O15

>  <MolWeight> (190)
608.54468

>  <Cat> (190)
S9322

>  <Name> (190)
Neodiosmin

>  <Form> (190)
free base

>  <CAS> (190)
38665-01-9

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/03272414162D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C9H6O3

>  <MolWeight> (191)
162.14214

>  <Cat> (191)
S5548

>  <Name> (191)
7-Hydroxy-4-chromone

>  <Target> (191)
Src

>  <Form> (191)
free base

>  <CAS> (191)
59887-89-7

>  <URL> (191)
http://selleckchem.com/products/.html

$$$$
S5600 Flavokawain A.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C18H18O5

>  <MolWeight> (192)
314.33252

>  <Cat> (192)
S5600

>  <Name> (192)
Flavokawain A

>  <Target> (192)
ABCG2

>  <Form> (192)
free base

>  <CAS> (192)
3420-72-2

>  <URL> (192)
http://selleckchem.com/products/.html

$$$$
S9038 Calycosin.cdx
csChFnd80/03272414162D

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M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C16H12O5

>  <MolWeight> (193)
284.26348

>  <Cat> (193)
S9038

>  <Name> (193)
Calycosin

>  <Form> (193)
free base

>  <CAS> (193)
20575-57-9

$$$$
S9035 Isovitexin.cdx
csChFnd80/03272414162D

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    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  9 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 12 18  1  1  0  0  0
 12 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  6  0  0  0
 17 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C21H20O10

>  <MolWeight> (194)
432.3775

>  <Cat> (194)
S9035

>  <Name> (194)
Isovitexin

>  <Form> (194)
free base

>  <CAS> (194)
29702-25-8

$$$$
S9018 Luteoloside.cdx
csChFnd80/03272414162D

 32 35  0  0  0  0  0  0  0  0999 V2000
   12.1243    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7622    5.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5499    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9748    6.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  1  0  0  0
 17 21  1  6  0  0  0
 16 22  1  1  0  0  0
 15 23  1  6  0  0  0
 14 12  1  1  0  0  0
  7 12  1  0  0  0  0
  5 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 28 31  1  0  0  0  0
 27 32  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C21H20O11

>  <MolWeight> (195)
448.3769

>  <Cat> (195)
S9018

>  <Name> (195)
Luteoloside

>  <Form> (195)
free base

>  <CAS> (195)
1268798

$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/03272414162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C18H16O5

>  <MolWeight> (196)
312.31664

>  <Cat> (196)
S9328

>  <Name> (196)
5,6,7-Trimethoxyflavone

>  <Form> (196)
free base

>  <CAS> (196)
973-67-1

$$$$
S9375 2'-Hydroxyacetophenone.cdx
csChFnd80/03272414162D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  2 10  1  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C8H8O2

>  <MolWeight> (197)
136.14792

>  <Cat> (197)
S9375

>  <Name> (197)
2'-Hydroxyacetophenone

>  <Form> (197)
free base

>  <CAS> (197)
118-93-4

$$$$

csChFnd80/03272414162D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2522    6.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0437    5.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522    7.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0437    4.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4720    4.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4710    8.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1246    6.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2920    5.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    2.1081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2107    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3086    8.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4688    6.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    1.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4688    7.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6944    8.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
 11  5  1  1  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 12  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  6  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  1  0  0  0
 18 24  1  1  0  0  0
 18 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  6  0  0  0
 23 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C21H24O9

>  <MolWeight> (198)
420.40986

>  <Cat> (198)
S5748

>  <Name> (198)
4¡ä-Deoxyphlorizin

>  <Synonyms> (198)
N/A

>  <Target> (198)
Others

>  <Form> (198)
Free Base

>  <CAS> (198)
4319-68-0

>  <URL> (198)
http://www.selleckchem.com/products/4-deoxyphlorizin.html

$$$$

csChFnd80/03272414162D

 44 48  0  0  0  0  0  0  0  0999 V2000
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  7 21  1  0  0  0  0
  5 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
 27 44  1  1  0  0  0
 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C28H32O16

>  <MolWeight> (199)
624.54408

>  <Cat> (199)
S9455

>  <Name> (199)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (199)
N/A

>  <Target> (199)
Others

>  <Form> (199)
Free Base

>  <CAS> (199)
55033-90-4

>  <URL> (199)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/03272414162D

 45 49  0  0  0  0  0  0  0  0999 V2000
    1.2124    8.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  1  0  0  0
 27 32  1  6  0  0  0
 26 33  1  1  0  0  0
 33 34  1  0  0  0  0
 35 14  1  6  0  0  0
 35 36  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C27H30O18

>  <MolWeight> (200)
642.5163

>  <Cat> (200)
S9479

>  <Name> (200)
Complanatoside A

>  <Synonyms> (200)
N/A

>  <Target> (200)
Others

>  <Form> (200)
Free Base

>  <CAS> (200)
146501-37-3

>  <URL> (200)
http://www.selleckchem.com/products/complanatoside-a.html

$$$$

csChFnd80/03272414162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 12  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C17H16O5

>  <MolWeight> (201)
300.30594

>  <Cat> (201)
S9552

>  <Name> (201)
Farrerol

>  <Synonyms> (201)
N/A

>  <Target> (201)
Others

>  <Form> (201)
Free Base

>  <CAS> (201)
24211-30-1

>  <URL> (201)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/03272414162D

 44 47  0  0  0  0  0  0  0  0999 V2000
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 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  6  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  1  0  0  0
 24 30  1  0  0  0  0
 25 31  1  1  0  0  0
 25 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  6  0  0  0
 34 32  1  1  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  6  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  6  0  0  0
 39 42  1  6  0  0  0
 39 40  1  0  0  0  0
 40 43  1  1  0  0  0
A   44
xH2O
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C27H30O16R

>  <MolWeight> (202)
610.5175

>  <Cat> (202)
S6264

>  <Name> (202)
Rutin hydrate

>  <Synonyms> (202)
Quercetin-3-O-rutinoside, Rutoside, Sophorin

>  <Target> (202)
Others

>  <Form> (202)
free base

>  <CAS> (202)
207671-50-9

>  <URL> (202)
http://www.selleck.cn/products/rutin-hydrate.html

$$$$

csChFnd80/03272414162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
  3  9  1  0  0  0  0
 11 12  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C9H12O3

>  <MolWeight> (203)
168.18978

>  <Cat> (203)
S6294

>  <Name> (203)
1,3,5-Trimethoxybenzene

>  <Synonyms> (203)
Phloroglucinol trimethyl ether, Sym-trimethoxybenzene, Trimethylphloroglucinol

>  <Target> (203)
Others

>  <Form> (203)
free base

>  <CAS> (203)
621-23-8

>  <URL> (203)
http://www.selleck.cn/products/1-3-5-trimethoxybenzene.html

$$$$

csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.3674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C14H12O5

>  <MolWeight> (204)
260.24208

>  <Cat> (204)
S5887

>  <Name> (204)
Khellin

>  <Synonyms> (204)
Amicardine, Corafurone, Methafrone

>  <Target> (204)
Anti-infection

>  <Form> (204)
Free Base

>  <CAS> (204)
82-02-0

>  <URL> (204)
http://www.selleck.cn/products/khellin.html

$$$$

csChFnd80/03272414162D

 44 47  0  0  0  0  0  0  0  0999 V2000
   12.1627    4.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9498    4.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1627    2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7369    4.1954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3714    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5778    4.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5143    4.9013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7369    2.8043    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5790    2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3714    0.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7900    4.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2965    4.1982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5265    2.1055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9527    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7909    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5847    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    4.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2965    2.8086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5265    0.7113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0052    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7909    0.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0839    2.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2174    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    4.9110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4306    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    4.2086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6506    6.3176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4306    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6405    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4340    2.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    7.0202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6417    4.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8503    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    8.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8504    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6417    6.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    7.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0618    4.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2761    4.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  6  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  1  0  0  0
 13 19  1  0  0  0  0
 14 20  1  1  0  0  0
 14 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  6  0  0  0
 21 25  2  0  0  0  0
 26 23  1  1  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  6  0  0  0
 29 34  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  2  0  0  0  0
 32 37  1  0  0  0  0
 32 38  1  6  0  0  0
 34 39  1  6  0  0  0
 34 37  1  0  0  0  0
 35 40  2  0  0  0  0
 35 41  1  0  0  0  0
 36 40  1  0  0  0  0
 37 42  1  1  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C29H36O15

>  <MolWeight> (205)
624.58714

>  <Cat> (205)
S6426

>  <Name> (205)
Hesperidin methylchalcone

>  <Synonyms> (205)
N/A

>  <Target> (205)
Others

>  <Form> (205)
Free Base

>  <CAS> (205)
24292-52-2

>  <URL> (205)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 12  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C15H14O3

>  <MolWeight> (206)
242.26986

>  <Cat> (206)
S6601

>  <Name> (206)
(¡À)-Equol

>  <Synonyms> (206)
N/A

>  <Target> (206)
Estrogen/progestogen

>  <Form> (206)
free base

>  <CAS> (206)
94105-90-5

>  <URL> (206)
http://www.selleck.cn/products/equol.html

$$$$

csChFnd80/03272414162D

 51 56  0  0  0  0  0  0  0  0999 V2000
    8.4860    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7055    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7055    4.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3451    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3451    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    4.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5582    4.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7651    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9846    4.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9846    5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5582    5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C33H40O18

>  <MolWeight> (207)
724.6599

>  <Cat> (207)
S9096

>  <Name> (207)
ligustroflavone

>  <Synonyms> (207)
Nuezhenoside

>  <Target> (207)
AMPK

>  <Form> (207)
Free Base

>  <CAS> (207)
260413-62-5

>  <URL> (207)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/03272414162D

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 10  2  1  0  0  0  0
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 13  9  1  0  0  0  0
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 17  5  1  0  0  0  0
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M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C28H34O14

>  <MolWeight> (208)
594.56116

>  <Cat> (208)
S9235

>  <Name> (208)
Didymin

>  <Synonyms> (208)
Neoponcirin, Isosakuranetin-7-O-rutinoside

>  <Target> (208)
p53

>  <Form> (208)
Free Base

>  <CAS> (208)
14259-47-3

>  <URL> (208)
http://www.selleck.cn/products/didymin.html

$$$$

csChFnd80/03272414162D

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M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C28H32O14

>  <MolWeight> (209)
592.54528

>  <Cat> (209)
S9290

>  <Name> (209)
Linarin

>  <Synonyms> (209)
Acaciin, Buddleoside, Acacetin-7-O-rutinoside

>  <Target> (209)
Immunology & Inflammation related

>  <Form> (209)
Free Base

>  <CAS> (209)
480-36-4

>  <URL> (209)
http://www.selleck.cn/products/linarin.html

$$$$

csChFnd80/03272414162D

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    3.6521    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  6  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  6  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  1  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C21H32O2

>  <MolWeight> (210)
316.47758

>  <Cat> (210)
S3206

>  <Name> (210)
5a-Pregnane-3,20-dione

>  <Target> (210)
Microtubule Associat

>  <Form> (210)
free base

>  <CAS> (210)
566-65-4

>  <URL> (210)
http://www.selleckchem.com/products/5a-pregnane-320-dione.html

$$$$

csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C17H14O4

>  <MolWeight> (211)
282.29066

>  <Cat> (211)
S3227

>  <Name> (211)
5,7-Dimethoxyflavone

>  <Target> (211)
P450 (e.g. CYP17)

>  <Form> (211)
free base

>  <CAS> (211)
21392-57-4

>  <URL> (211)
http://www.selleckchem.com/products/5-7-dimethoxyflavone.html

$$$$

csChFnd80/03272414162D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C17H18O4

>  <MolWeight> (212)
286.32242

>  <Cat> (212)
S3241

>  <Name> (212)
Loureirin A

>  <Target> (212)
Akt

>  <Form> (212)
free base

>  <CAS> (212)
119425-89-7

>  <URL> (212)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/03272414162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C18H20O5

>  <MolWeight> (213)
316.3484

>  <Cat> (213)
S3242

>  <Name> (213)
Loureirin B

>  <Target> (213)
PAI-1

>  <Form> (213)
free base

>  <CAS> (213)
119425-90-0

>  <URL> (213)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/03272414162D

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3158   12.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  8  9  1  0  0  0  0
  2 10  1  6  0  0  0
  3 11  1  1  0  0  0
  4 12  1  6  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 16  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 22 28  2  0  0  0  0
 21 29  1  0  0  0  0
 20 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C27H30O11

>  <MolWeight> (214)
530.5205

>  <Cat> (214)
S3247

>  <Name> (214)
Icariside I

>  <Target> (214)
Others

>  <Form> (214)
free base

>  <CAS> (214)
56725-99-6

>  <URL> (214)
http://www.selleckchem.com/products/icariside-i.html

$$$$

csChFnd80/03272414162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    3.6907    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4783    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9031    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3280    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1156    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6907    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1156    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5404    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3280    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6907   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5404    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043   10.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7132   11.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559   12.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929   11.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
 17  2  1  1  0  0  0
  2 20  1  0  0  0  0
 13  3  1  1  0  0  0
 14  4  1  6  0  0  0
 15  5  1  6  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 28  1  0  0  0  0
  8 24  1  0  0  0  0
  9 29  1  0  0  0  0
 10 26  2  0  0  0  0
 11 30  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  1  0  0  0
 19 21  1  6  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 29  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  2  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C21H22O12

>  <MolWeight> (215)
466.39218

>  <Cat> (215)
S3254

>  <Name> (215)
Plantagoside

>  <Target> (215)
Mannosidase

>  <Form> (215)
free base

>  <CAS> (215)
78708-33-5

>  <URL> (215)
http://www.selleckchem.com/products/plantagoside.html

$$$$

csChFnd80/03272414162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 14  1  0  0  0  0
 10 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C17H14O6

>  <MolWeight> (216)
314.28946

>  <Cat> (216)
S3255

>  <Name> (216)
Pectolinarigenin

>  <Target> (216)
COX

>  <Form> (216)
free base

>  <CAS> (216)
520-12-7

>  <URL> (216)
http://www.selleckchem.com/products/pectolinarigenin.html

$$$$

csChFnd80/03272414162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C16H12O4

>  <MolWeight> (217)
268.26408

>  <Cat> (217)
S3256

>  <Name> (217)
Tectochrysin

>  <Target> (217)
NF-¦ÊB

>  <Form> (217)
free base

>  <CAS> (217)
520-28-5

>  <URL> (217)
http://www.selleckchem.com/products/tectochrysin.html

$$$$

csChFnd80/03272414162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
 11  2  1  6  0  0  0
 12  3  1  1  0  0  0
 14  4  1  6  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 25  1  0  0  0  0
  7 19  1  0  0  0  0
  8 23  2  0  0  0  0
  9 29  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  1  0  0  0
 14 15  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C21H20O10

>  <MolWeight> (218)
432.3775

>  <Cat> (218)
S3260

>  <Name> (218)
3'-hydroxy Puerarin

>  <Target> (218)
Others

>  <Form> (218)
free base

>  <CAS> (218)
117076-54-5

>  <URL> (218)
http://www.selleckchem.com/products/3-hydroxy-puerarin.html

$$$$

csChFnd80/03272414162D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C27H30O15

>  <MolWeight> (219)
594.5181

>  <Cat> (219)
S3267

>  <Name> (219)
Kaempferol-3-O-rutinoside

>  <Target> (219)
Apoptosis related

>  <Form> (219)
free base

>  <CAS> (219)
17650-84-9

>  <URL> (219)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/03272414162D

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 27 22  1  0  0  0  0
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 26 30  1  1  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 24 37  1  1  0  0  0
 35 38  1  6  0  0  0
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 25 40  1  6  0  0  0
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M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C27H30O16

>  <MolWeight> (220)
610.5175

>  <Cat> (220)
S3274

>  <Name> (220)
Glucosyl-vitexin

>  <Target> (220)
Peroxidases

>  <Form> (220)
free base

>  <CAS> (220)
76135-82-5

>  <URL> (220)
http://www.selleckchem.com/products/glucosyl-vitexin.html

$$$$

csChFnd80/03272414162D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 33 35  2  0  0  0  0
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 36 40  1  0  0  0  0
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M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C27H30O15

>  <MolWeight> (221)
594.5181

>  <Cat> (221)
S3278

>  <Name> (221)
Kaempferol-3-O-neohesperidoside

>  <Target> (221)
Carbohydrate Metabol

>  <Form> (221)
free base

>  <CAS> (221)
32602-81-6

>  <URL> (221)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/03272414162D

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  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
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  3  8  1  1  0  0  0
  4  9  1  6  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  0  0  0
 10 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  1  0  0  0
 16 20  1  1  0  0  0
 17 21  1  6  0  0  0
 15 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 30 41  1  0  0  0  0
 42 41  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 42  1  0  0  0  0
 43 48  1  1  0  0  0
 45 49  1  1  0  0  0
 44 50  1  6  0  0  0
 46 51  1  6  0  0  0
 51 52  1  0  0  0  0
  9 53  1  0  0  0  0
 29 54  2  0  0  0  0
 25 55  1  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C33H40O22

>  <MolWeight> (222)
788.6575

>  <Cat> (222)
S3281

>  <Name> (222)
Quercetin 3-O-¦Â-D-glucose-7-O-¦Â-D-gentiobioside

>  <Target> (222)
Others

>  <Form> (222)
free base

>  <CAS> (222)
60778-02-1

>  <URL> (222)
http://www.selleckchem.com/products/quercetin-3-o-B-d-glucose-7-o-B-d-gentiobioside.html

$$$$

csChFnd80/03272414162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3081    8.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1092   11.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051    8.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789   10.6016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1632    9.8689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1740   12.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6065    7.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7384    9.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5341   11.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9535   10.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7492   12.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9589   11.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16  2  1  1  0  0  0
  2 19  1  0  0  0  0
 12  3  1  6  0  0  0
 13  4  1  1  0  0  0
 14  5  1  6  0  0  0
  6 18  1  0  0  0  0
  6 21  1  0  0  0  0
 20  7  1  6  0  0  0
  8 27  1  0  0  0  0
  9 23  2  0  0  0  0
 10 30  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  6  0  0  0
 18 20  1  0  0  0  0
 18 25  1  1  0  0  0
 19 24  1  0  0  0  0
 19 26  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C21H22O11

>  <MolWeight> (223)
450.39278

>  <Cat> (223)
S3295

>  <Name> (223)
Taxifolin 7-rhamnoside

>  <Target> (223)
Anti-infection

>  <Form> (223)
free base

>  <CAS> (223)
137592-12-2

>  <URL> (223)
http://www.selleckchem.com/products/taxifolin-7-rhamnoside.html

$$$$

csChFnd80/03272414162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C16H12O6

>  <MolWeight> (224)
300.26288

>  <Cat> (224)
S3296

>  <Name> (224)
Hispidulin

>  <Target> (224)
Pim

>  <Form> (224)
free base

>  <CAS> (224)
1447-88-7

>  <URL> (224)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 19  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C16H12O5

>  <MolWeight> (225)
284.26348

>  <Cat> (225)
S3307

>  <Name> (225)
Galangin 3-methyl ether

>  <Target> (225)
Anti-infection

>  <Form> (225)
free base

>  <CAS> (225)
6665-74-3

>  <URL> (225)
http://www.selleckchem.com/products/galangin-3-methyl-ether.html

$$$$

csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C15H12O3

>  <MolWeight> (226)
240.25398

>  <Cat> (226)
S9634

>  <Name> (226)
Phenoxodiol (Haginin E)

>  <Target> (226)
Caspase

>  <Form> (226)
free base

>  <CAS> (226)
81267-65-4

>  <URL> (226)
http://www.selleckchem.com/products/phenoxodiol.html

$$$$

csChFnd80/03272414162D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C28H34O14

>  <MolWeight> (227)
594.56116

>  <Cat> (227)
S9165

>  <Name> (227)
Poncirin

>  <Synonyms> (227)
Isosakuranetin-7-neohesperidoside

>  <Target> (227)
Immunology & Inflammation related/Anti-infec

>  <Form> (227)
Free Base

>  <CAS> (227)
14941-08-3

>  <URL> (227)
https://www.selleckchem.com/products/poncirin.html

$$$$

csChFnd80/03272414162D

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M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C38H48O19

>  <MolWeight> (228)
808.77632

>  <Cat> (228)
S9268

>  <Name> (228)
Epmedin B

>  <Synonyms> (228)
N/A

>  <Target> (228)
others

>  <Form> (228)
Free Base

>  <CAS> (228)
110623-73-9

>  <URL> (228)
https://www.selleckchem.com/products/epmedin-b.html

$$$$

csChFnd80/03272414162D

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 29 43  1  6  0  0  0
 13 14  1  0  0  0  0
 28 44  1  1  0  0  0
 22 23  1  0  0  0  0
 37 45  1  1  0  0  0
 23  6  2  0  0  0  0
 39 46  1  1  0  0  0
 41 47  1  0  0  0  0
 47 48  1  0  0  0  0
  6 24  1  0  0  0  0
 15 13  2  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 19 21  1  0  0  0  0
 47 52  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 12 26  1  0  0  0  0
 49 53  1  6  0  0  0
  2  3  1  0  0  0  0
 27 54  1  6  0  0  0
 13 16  1  0  0  0  0
 38 55  1  6  0  0  0
 16  2  2  0  0  0  0
 47 56  1  6  0  0  0
  2 18  1  0  0  0  0
 48 57  1  6  0  0  0
 50  1  1  1  0  0  0
 17 15  1  0  0  0  0
 54 58  1  0  0  0  0
 12 30  1  0  0  0  0
 51 59  1  6  0  0  0
M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
C39H50O19

>  <MolWeight> (229)
822.8029

>  <Cat> (229)
S9269

>  <Name> (229)
Epmedin C

>  <Synonyms> (229)
Baohuoside VI

>  <Target> (229)
others

>  <Form> (229)
Free Base

>  <CAS> (229)
110642-44-9 (119760-73-5)

>  <URL> (229)
https://www.selleckchem.com/products/epmedin-c.html

$$$$

csChFnd80/03272414162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C18H16O5

>  <MolWeight> (230)
312.31664

>  <Cat> (230)
S0913

>  <Name> (230)
4',5,7-Trimethoxyflavone

>  <Synonyms> (230)
5,?7,?4'-Trimethoxyflavone, TMF

>  <Target> (230)
apoptosis related. Caspase. PARP.

>  <Form> (230)
Free Base

>  <CAS> (230)
5631-70-9

>  <URL> (230)
https://www.selleckchem.com/products/4-5-7-trimethoxyflavone.html

$$$$

csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (231)
231

>  <Formula> (231)
C16H12O3

>  <MolWeight> (231)
252.26468

>  <Cat> (231)
S1323

>  <Name> (231)
7-Methoxyisoflavone

>  <Synonyms> (231)
MIF

>  <Target> (231)
AMPK

>  <Form> (231)
Free Base

>  <CAS> (231)
1621-56-3

>  <URL> (231)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/03272414162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5205    8.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    8.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8915   10.6016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3865   12.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1011    9.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5260    9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3163   10.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7411   10.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465   11.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9508    9.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9616   12.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1660   10.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1713   11.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16  2  1  1  0  0  0
  2 18  1  0  0  0  0
 12  3  1  1  0  0  0
 13  4  1  6  0  0  0
 14  5  1  6  0  0  0
  6 17  1  0  0  0  0
  7 17  2  0  0  0  0
  8 21  1  0  0  0  0
  8 25  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C21H18O11

>  <MolWeight> (232)
446.36102

>  <Cat> (232)
E0130

>  <Name> (232)
Apigenin-7-O-glucuronide

>  <Synonyms> (232)
Apigenin-7-glucuronide

>  <Target> (232)
TNF-alpha

>  <Form> (232)
Free Base

>  <CAS> (232)
29741-09-1

>  <URL> (232)
http://www.selleckchem.com/products/apigenin-7-o-glucuronide.html

$$$$

csChFnd80/03272414162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    3.6292    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523    1.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    1.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067    5.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4277    8.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5870    8.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7889   10.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2935    9.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2904   12.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8706    9.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8645   12.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
 17  2  1  1  0  0  0
  2 19  1  0  0  0  0
 13  3  1  1  0  0  0
 14  4  1  6  0  0  0
 15  5  1  6  0  0  0
  6 18  1  0  0  0  0
  7 18  2  0  0  0  0
  8 22  1  0  0  0  0
  8 26  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  2  0  0  0  0
 11 31  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  1  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 27  1  0  0  0  0
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 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C21H18O12

>  <MolWeight> (233)
462.36042

>  <Cat> (233)
E0131

>  <Name> (233)
Luteolin-7-O-glucuronide

>  <Synonyms> (233)
Luteolin 7-glucuronide

>  <Form> (233)
Free Base

>  <CAS> (233)
29741-10-4

>  <URL> (233)
http://www.selleckchem.com/products/luteolin-7-o-glucuronide.html

$$$$

csChFnd80/03272414162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    7.4621    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    4.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2498    9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   11.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621   11.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14  1  2  0  0  0  0
  2  7  2  0  0  0  0
 13  8  2  0  0  0  0
  9 15  2  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 24 25  1  0  0  0  0
 21 24  1  0  0  0  0
 11 18  1  0  0  0  0
 13 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C21H20O6

>  <MolWeight> (234)
368.3799

>  <Cat> (234)
E0246

>  <Name> (234)
¦Â-Anhydroicaritin

>  <Target> (234)
Others

>  <Form> (234)
free base

>  <CAS> (234)
38226-86-7

>  <URL> (234)
http://www.selleckchem.com/products/beta-anhydroicaritin.html

$$$$

csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 10 20  2  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C16H12O5

>  <MolWeight> (235)
284.26348

>  <Cat> (235)
E0526

>  <Name> (235)
sappanone A

>  <Target> (235)
p38 MAPK

>  <Form> (235)
free base

>  <CAS> (235)
102067-84-5

>  <URL> (235)
http://www.selleckchem.com/products/sappanone-a.html

$$$$

csChFnd80/03272414162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C15H12O

>  <MolWeight> (236)
208.25518

>  <Cat> (236)
E2641

>  <Name> (236)
trans-Chalcone

>  <Target> (236)
Fatty Acid Synthase

>  <Form> (236)
free base

>  <CAS> (236)
614-47-1

>  <URL> (236)
http://www.selleckchem.com/products/trans-chalcone.html

$$$$

csChFnd80/03272414162D

 42 47  0  0  0  0  0  0  0  0999 V2000
    6.4150    2.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153    5.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939    5.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7935    8.8254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2602    6.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513   10.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7665    4.7912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0473    0.3228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9924    2.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4226    3.8438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    4.6760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9938    4.4329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8513    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150    3.1174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2724    3.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0638    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5838    8.1208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5838    6.6624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3153    8.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7935    5.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6504    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0086    6.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    3.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3789    2.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9978    3.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2183    5.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2129    4.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 23  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
 14  3  1  6  0  0  0
 20  4  1  1  0  0  0
  5 24  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 33  1  0  0  0  0
  9 37  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  2  0  0  0  0
 16 25  1  6  0  0  0
 17 23  1  0  0  0  0
 17 27  2  0  0  0  0
 18 19  2  0  0  0  0
 19 22  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 29  1  1  0  0  0
 23 30  2  0  0  0  0
 24 28  1  0  0  0  0
 25 32  2  0  0  0  0
 25 34  1  0  0  0  0
 26 28  2  0  0  0  0
 27 31  1  0  0  0  0
 29 35  2  0  0  0  0
 29 36  1  0  0  0  0
 30 33  1  0  0  0  0
 31 33  2  0  0  0  0
 32 37  1  0  0  0  0
 34 38  2  0  0  0  0
 35 40  1  0  0  0  0
 36 41  2  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
 40 42  2  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C30H26O12

>  <MolWeight> (237)
578.52024

>  <Cat> (237)
S3290

>  <Name> (237)
Procyanidin B2

>  <Synonyms> (237)
PCB2

>  <Target> (237)
PPAR

>  <Form> (237)
free base

>  <CAS> (237)
29106-49-8

>  <URL> (237)
http://www.selleckchem.com/products/procyanidin-b2.html

$$$$

csChFnd80/03272414162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
  7  5  2  0  0  0  0
  3 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
  2 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C15H10O8

>  <MolWeight> (238)
318.2351

>  <Cat> (238)
E0675

>  <Name> (238)
Quercetagetin

>  <Synonyms> (238)
6-Hydroxyquercetin

>  <Target> (238)
Pim

>  <Form> (238)
free base

>  <CAS> (238)
90-18-6

>  <URL> (238)
http://www.selleckchem.com/products/quercetagetin.html

$$$$

csChFnd80/03272414162D

 57 60  0  0  0  0  0  0  0  0999 V2000
    3.4148   11.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   10.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    9.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397   10.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397   11.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273   12.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024   12.4579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899   11.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899   10.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024    9.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273   13.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   14.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024   13.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521   13.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397   14.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911   14.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397   15.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    9.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    8.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0365    8.0190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0365    6.6190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2489    5.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4614    6.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4614    8.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2489    8.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6738    5.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8862    6.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8862    8.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6738    8.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2646   10.3579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6738   10.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0987    5.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3111    6.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5235    5.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3111    8.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8862   10.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0987   10.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8862   12.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650    5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9774    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1898    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1898    5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9774    6.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9774    2.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5525    3.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    5.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1277    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5525    6.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5525    7.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650    8.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626    8.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  6 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
  9 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 21 20  1  6  0  0  0
 19 31  2  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 40  1  0  0  0  0
 22 44  1  6  0  0  0
 42 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 41 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 40 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C38H34O19

>  <MolWeight> (239)
794.66516

>  <Cat> (239)
E2748

>  <Name> (239)
EGCG Octaacetate

>  <Synonyms> (239)
AcEGCG

>  <Target> (239)
Others

>  <Form> (239)
free base

>  <CAS> (239)
148707-39-5

>  <URL> (239)
http://www.selleckchem.com/products/egcg-octaacetate.html

$$$$

csChFnd80/03272414162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0621    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C20H20O8

>  <MolWeight> (240)
388.368

>  <Cat> (240)
E0250

>  <Name> (240)
Artemitin

>  <Synonyms> (240)
N/A

>  <Target> (240)
Others

>  <Form> (240)
Free base

>  <CAS> (240)
479-90-3

>  <URL> (240)
http://www.selleckchem.com/products/artemitin.html

$$$$
Graveoline
csChFnd80/03272414162D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.0011    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8004    4.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8004    6.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (241)
275

>  <Formula> (241)
C17H13NO3

>  <MolWeight> (241)
279.29002

>  <Cat> (241)
E4576

>  <Name> (241)
Graveoline

>  <Synonyms> (241)
Graveoline

>  <Target> (241)
Autophagy

>  <Form> (241)
free base

>  <CAS> (241)
485-61-0

>  <URL> (241)
https://www.selleckchem.com/products/graveoline.html

$$$$
4â²-Hydroxyflavanone
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.6674    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (242)
278

>  <Formula> (242)
C15H12O3

>  <MolWeight> (242)
240.25398

>  <Cat> (242)
E4573

>  <Name> (242)
4-Hydroxyflavanone

>  <Synonyms> (242)
4-Hydroxyflavanone

>  <Target> (242)
NO Synthase

>  <Form> (242)
free base

>  <CAS> (242)
6515-37-3

>  <URL> (242)
https://www.selleckchem.com/products/4-hydroxyflavanone.html

$$$$
2â²-Hydroxyflavanone
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    6.9300    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.6674    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (243)
281

>  <Formula> (243)
C15H12O3

>  <MolWeight> (243)
240.25398

>  <Cat> (243)
E4570

>  <Name> (243)
2-Hydroxyflavanone

>  <Synonyms> (243)
2-Hydroxyflavanone

>  <Target> (243)
Others

>  <Form> (243)
free base

>  <CAS> (243)
17348-76-4

>  <URL> (243)
https://www.selleckchem.com/products/2-hydroxyflavanone.html

$$$$
Î²-Naphthoflavone
csChFnd80/03272414162D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.6201    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2401    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3201    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (244)
286

>  <Formula> (244)
C19H12O2

>  <MolWeight> (244)
272.29738

>  <Cat> (244)
E4565

>  <Name> (244)
Dulcite

>  <Synonyms> (244)
Dulcitol; Melampyrit; NSC 1944

>  <Target> (244)
Sirtuin

>  <Form> (244)
free base

>  <CAS> (244)
6051-87-2

>  <URL> (244)
https://www.selleckchem.com/products/dulcite.html

$$$$
7-Hydroxyisoflavone
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.6201    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    4.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (245)
296

>  <Formula> (245)
C15H10O3

>  <MolWeight> (245)
238.2381

>  <Cat> (245)
E4555

>  <Name> (245)
7-Hydroxyisoflavone

>  <Synonyms> (245)
7-Hydroxyisoflavone

>  <Target> (245)
Others

>  <Form> (245)
free base

>  <CAS> (245)
13057-72-2

>  <URL> (245)
https://www.selleckchem.com/products/7-hydroxyisoflavone.html

$$$$
5-Hydroxyflavone
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2401    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2401    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (246)
306

>  <Formula> (246)
C15H10O3

>  <MolWeight> (246)
238.2381

>  <Cat> (246)
E4545

>  <Name> (246)
5-Hydroxyflavone

>  <Synonyms> (246)
5-Hydroxyflavone

>  <Target> (246)
Others

>  <Form> (246)
free base

>  <CAS> (246)
491-78-1

>  <URL> (246)
https://www.selleckchem.com/products/5-hydroxyflavone.html

$$$$
(Â±)-Catechol
csChFnd80/03272414162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.0012    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    8.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6685    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.1601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0022    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  6  0  0  0
  7  9  1  0  0  0  0
  8  1  1  1  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (247)
314

>  <Formula> (247)
C15H14O6

>  <MolWeight> (247)
290.26806

>  <Cat> (247)
E4537

>  <Name> (247)
(¡À)-Catechin hydrate

>  <Synonyms> (247)
(¡À)-Catechin hydrate

>  <Target> (247)
ROS

>  <Form> (247)
hydrate

>  <CAS> (247)
7295-85-4

>  <URL> (247)
https://www.selleckchem.com/products/catechin-hydrate.html

$$$$
3-Methoxyflavone
csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.3901    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (248)
325

>  <Formula> (248)
C16H12O3

>  <MolWeight> (248)
252.26468

>  <Cat> (248)
E4526

>  <Name> (248)
3-Methoxyflavone

>  <Synonyms> (248)
3-Methoxyflavone

>  <Target> (248)
Antiviral

>  <Form> (248)
free base

>  <CAS> (248)
7245-02-5

>  <URL> (248)
https://www.selleckchem.com/products/3-methoxyflavone.html

$$$$
6-Methylflavone
csChFnd80/03272414162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.7000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (249)
338

>  <Formula> (249)
C16H12O2

>  <MolWeight> (249)
236.26528

>  <Cat> (249)
E4513

>  <Name> (249)
6-Methylflavone

>  <Synonyms> (249)
6-Methylflavone

>  <Target> (249)
GABA Receptor

>  <Form> (249)
free base

>  <CAS> (249)
29976-75-8

>  <URL> (249)
https://www.selleckchem.com/products/6-methylflavone.html

$$$$
3,6-Dihydroxyflavone
csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.6200    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (250)
348

>  <Formula> (250)
C15H10O4

>  <MolWeight> (250)
254.2375

>  <Cat> (250)
E4501

>  <Name> (250)
3,6-Dihydroxyflavone

>  <Synonyms> (250)
3,6-Dihydroxyflavone

>  <Target> (250)
Others

>  <Form> (250)
free base

>  <CAS> (250)
108238-41-1

>  <URL> (250)
https://www.selleckchem.com/products/3-6-dihydroxyflavone.html

$$$$
4â²-Methoxyflavone
csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (251)
351

>  <Formula> (251)
C16H12O3

>  <MolWeight> (251)
252.26468

>  <Cat> (251)
E4498

>  <Name> (251)
4'-Methoxyflavone

>  <Synonyms> (251)
4'-METHOXYFLAVONE

>  <Target> (251)
Others

>  <Form> (251)
free base

>  <CAS> (251)
4143-74-2

>  <URL> (251)
https://www.selleckchem.com/products/4-methoxyflavone.html

$$$$
4-Methoxychalcone
csChFnd80/03272414162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.0010    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  3  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  CFW   3 B_NG_STER 3
M  END
>  <Mol_ID> (252)
416

>  <Formula> (252)
C16H14O2

>  <MolWeight> (252)
238.28116

>  <Cat> (252)
E4400

>  <Name> (252)
4-METHOXYCHALCONE

>  <Synonyms> (252)
4-METHOXYCHALCONE

>  <Target> (252)
Others

>  <Form> (252)
free base

>  <CAS> (252)
959-33-1

>  <URL> (252)
https://www.selleckchem.com/products/4-methoxychalcone.html

$$$$
1-Propanone, 1-[2-(Î²-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyph...
csChFnd80/03272414162D

 32 33  0  0  0  0  0  0  0  0999 V2000
    9.2400    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    8.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    8.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    4.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    9.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    9.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7100    8.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.8747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8500    5.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    8.2085    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3100    5.5411    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3100    8.2085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5400    6.8747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0900    8.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    9.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    9.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    8.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  4 26  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20  5  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22  8  1  1  0  0  0
 22 24  1  0  0  0  0
 23  9  1  6  0  0  0
 23 25  1  0  0  0  0
 24 11  1  6  0  0  0
 24 25  1  0  0  0  0
 25 12  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (253)
467

>  <Formula> (253)
C21H26O11

>  <MolWeight> (253)
454.42454

>  <Cat> (253)
E4348

>  <Name> (253)
Phlorizin dihydrate

>  <Synonyms> (253)
Phlorizin dihydrate

>  <Target> (253)
Others

>  <Form> (253)
free base

>  <CAS> (253)
7061-54-3

>  <URL> (253)
https://www.selleckchem.com/products/phlorizin-dihydrate.html

$$$$
2-Hydroxychalcone
csChFnd80/03272414162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  CFW   0 B_NG_STER 3
M  END
>  <Mol_ID> (254)
479

>  <Formula> (254)
C15H12O2

>  <MolWeight> (254)
224.25458

>  <Cat> (254)
E4336

>  <Name> (254)
2-Hydroxychalcone

>  <Synonyms> (254)
2-Hydroxychalcone

>  <Target> (254)
Others

>  <Form> (254)
free base

>  <CAS> (254)
644-78-0

>  <URL> (254)
https://www.selleckchem.com/products/2-hydroxychalcone.html

$$$$
6-Methoxyflavone
csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.7000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (255)
500

>  <Formula> (255)
C16H12O3

>  <MolWeight> (255)
252.26468

>  <Cat> (255)
E4315

>  <Name> (255)
6-Methoxyflavone

>  <Synonyms> (255)
6-Methoxyflavone

>  <Target> (255)
Others

>  <Form> (255)
free base

>  <CAS> (255)
26964-24-9

>  <URL> (255)
https://www.selleckchem.com/products/6-methoxyflavone.html

$$$$
(Â±)-Naringenin
csChFnd80/03272414162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.3348    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    6.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3337    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (256)
602

>  <Formula> (256)
C15H12O5

>  <MolWeight> (256)
272.25278

>  <Cat> (256)
E4175

>  <Name> (256)
(¡À)-Naringenin

>  <Synonyms> (256)
(¡À)-Naringenin

>  <Target> (256)
Potassium Channel

>  <Form> (256)
free base

>  <CAS> (256)
67604-48-2

>  <URL> (256)
https://www.selleckchem.com/products/naringenin.html

$$$$
Dibenzoylmethane
csChFnd80/03272414162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (257)
615

>  <Formula> (257)
C15H12O2

>  <MolWeight> (257)
224.25458

>  <Cat> (257)
E4162

>  <Name> (257)
Dibenzoylmethane

>  <Synonyms> (257)
1,3-Diphenylpropane-1,3-dione

>  <Target> (257)
Nrf2

>  <Form> (257)
acid

>  <CAS> (257)
120-46-7

>  <URL> (257)
https://www.selleckchem.com/products/dibenzoylmethane.html

$$$$
7-Methoxyflavone
csChFnd80/03272414162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.3348    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (258)
656

>  <Formula> (258)
C16H12O3

>  <MolWeight> (258)
252.26468

>  <Cat> (258)
E4119

>  <Name> (258)
7-Methoxyflavone

>  <Synonyms> (258)
7-Methoxyflavone

>  <Target> (258)
Others

>  <Form> (258)
free base

>  <CAS> (258)
22395-22-8

>  <URL> (258)
https://www.selleckchem.com/products/7-methoxyflavone.html

$$$$
4-Hydroxycoumarin
csChFnd80/03272414162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (259)
732

>  <Formula> (259)
C9H6O3

>  <MolWeight> (259)
162.14214

>  <Cat> (259)
E2662

>  <Name> (259)
4-Hydroxycoumarin

>  <Synonyms> (259)
4-Hydroxycoumarin

>  <Target> (259)
AChR

>  <Form> (259)
free base

>  <CAS> (259)
1076-38-6

>  <URL> (259)
https://www.selleckchem.com/products/4-hydroxycoumarin.html

$$$$
(Â±)-Naringenin
csChFnd80/03272414162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.3348    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    6.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3337    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (260)
804

>  <Formula> (260)
C15H12O5

>  <MolWeight> (260)
272.25278

>  <Cat> (260)
E2862

>  <Name> (260)
(+/-)-Naringenin

>  <Target> (260)
Others

>  <Form> (260)
free base

>  <CAS> (260)
93602-28-9

>  <URL> (260)
https://www.selleckchem.com/products/------naringenin.html

$$$$
