S7448.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1)
31

>  <Formula> (1)
C5H6ClNO5RRu

>  <MolWeight> (1)
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>  <Item Name> (1)
CORM-3

>  <Catalog Number> (1)
S7448

>  <Synonyms> (1)
N/A

>  <Target> (1)
Immunology & Inflammation related

>  <Form> (1)
Complex

>  <URL> (1)
http://www.selleckchem.com/products/corm-3.html

>  <CAS Number> (1)
475473-26-8

$$$$
Ritonavir.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (2)
131

>  <Formula> (2)
C37H48N6O5S2

>  <MolWeight> (2)
720.94422

>  <Item Name> (2)
Ritonavir

>  <Catalog Number> (2)
S1185

>  <Synonyms> (2)
Norvir, Norvir Softgel

>  <Target> (2)
HIV Protease

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
155213-67-5

$$$$
Altretamine.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (3)
190

>  <Formula> (3)
C9H18N6

>  <MolWeight> (3)
210.27942

>  <Item Name> (3)
Altretamine (Hexalen)

>  <Catalog Number> (3)
S1278

>  <Synonyms> (3)
Hexalen

>  <Target> (3)
DNA alkylator

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
645-05-6

$$$$
Celastrol.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (4)
199

>  <Formula> (4)
C29H38O4

>  <MolWeight> (4)
450.60962

>  <Item Name> (4)
Celastrol

>  <Catalog Number> (4)
S1290

>  <Synonyms> (4)
N/A

>  <Target> (4)
Proteasome

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/Celastrol.html

>  <CAS Number> (4)
34157-83-0

$$$$
Oxibendazole.cdx
csChFnd80/10101813162D

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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 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
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (5)
212

>  <Formula> (5)
C12H15N3O3

>  <MolWeight> (5)
249.2658

>  <Item Name> (5)
Oxibendazole

>  <Catalog Number> (5)
S1851

>  <Synonyms> (5)
N/A

>  <Target> (5)
Others

>  <Form> (5)
Free Base

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

>  <CAS Number> (5)
20559-55-1

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/10101813162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.1099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    5.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    5.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190    3.5017    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2090    2.1371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9558    4.4353    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1072    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    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  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (6)
224

>  <Formula> (6)
C6H9N3O3

>  <MolWeight> (6)
171.15396

>  <Item Name> (6)
Metronidazole (Flagyl)

>  <Catalog Number> (6)
S1907

>  <Synonyms> (6)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (6)
DNA/RNA Synthesis

>  <Form> (6)
Free Base

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

>  <CAS Number> (6)
443-48-1

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/10101813162D

 17 18  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    4.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    4.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    3.1227    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  1  0  0  0  0
 14 10  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (7)
227

>  <Formula> (7)
C10H11N3O3S

>  <MolWeight> (7)
253.27764

>  <Item Name> (7)
Sulfamethoxazole

>  <Catalog Number> (7)
S1915

>  <Synonyms> (7)
Gantanol

>  <Target> (7)
Antifection

>  <Form> (7)
Free Base

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

>  <CAS Number> (7)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/10101813162D

 18 19  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    4.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    4.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    0.8635    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  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 10  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (8)
228

>  <Formula> (8)
C11H13N3O3S

>  <MolWeight> (8)
267.30422

>  <Item Name> (8)
Sulfisoxazole

>  <Catalog Number> (8)
S1916

>  <Synonyms> (8)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (8)
Antifection

>  <Form> (8)
Free Base

>  <URL> (8)
http://www.selleckchem.com/products/Sulfisoxazole.html

>  <CAS Number> (8)
127-69-5

$$$$
Danofloxacin mesylate.cdx
csChFnd80/10101813162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.2474    5.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337    4.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2577    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9512    4.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337    3.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6567    5.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    7.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9930    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386    5.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1183    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8537    2.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6567    6.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    8.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7282    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6357    4.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8692    7.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842    7.5419    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1775    5.0749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9877    5.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0713    6.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8692    8.9424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    7.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5033    5.6707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1863    5.0384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1236    3.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6723    6.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    1.3903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3641    1.3903    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
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
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  6 12  2  0  0  0  0
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  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
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  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 27  1  1  0  0  0
 19 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  6  0  0  0
 25 26  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (9)
236

>  <Formula> (9)
C20H24FN3O6S

>  <MolWeight> (9)
453.4844632

>  <Item Name> (9)
Danofloxacin Mesylate

>  <Catalog Number> (9)
S3058

>  <Synonyms> (9)
N/A

>  <Target> (9)
Antifection

>  <Form> (9)
Mesylate

>  <URL> (9)
http://www.selleckchem.com/products/danofloxacin-mesylate.html

>  <CAS Number> (9)
119478-55-6

$$$$
Megestrol Acetate.cdx
csChFnd80/10101813162D

 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
    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  2  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  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
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  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
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    3.6331    4.8903    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
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   10.6970    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6629    3.9567    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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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  7 19  1  0  0  0  0
  5 20  1  1  0  0  0
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 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (10)
244

>  <Formula> (10)
C24H32O4

>  <MolWeight> (10)
384.50848

>  <Item Name> (10)
Megestrol Acetate

>  <Catalog Number> (10)
S1304

>  <Synonyms> (10)
Megace, Megace ES

>  <Target> (10)
Androgen Receptor

>  <Form> (10)
Free Base

>  <URL> (10)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (10)
595-33-5

$$$$
Gatifloxacin.cdx
csChFnd80/10101813162D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (11)
264

>  <Formula> (11)
C19H22FN3O4

>  <MolWeight> (11)
375.3940832

>  <Item Name> (11)
Gatifloxacin

>  <Catalog Number> (11)
S1340

>  <Synonyms> (11)
AM-1155, CG5501, BMS-206584

>  <Target> (11)
Topoisomerase

>  <Form> (11)
Free Base

>  <URL> (11)
http://www.selleckchem.com/products/Gatifloxacin.html

>  <CAS Number> (11)
112811-59-3

$$$$
Cefoselis sulfate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (12)
283

>  <Formula> (12)
C19H24N8O10S3

>  <MolWeight> (12)
620.63646

>  <Item Name> (12)
Cefoselis sulfate

>  <Catalog Number> (12)
S1371

>  <Synonyms> (12)
N/A

>  <Target> (12)
Others

>  <Form> (12)
Sulfate

>  <URL> (12)
http://www.selleckchem.com/products/Cefoselis-sulfate.html

>  <CAS Number> (12)
122841-12-7

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (13)
287

>  <Formula> (13)
C37H48N4O5

>  <MolWeight> (13)
628.80082

>  <Item Name> (13)
Lopinavir (ABT-378)

>  <Catalog Number> (13)
S1380

>  <Synonyms> (13)
ABT-378

>  <Target> (13)
HIV Protease

>  <Form> (13)
Free Base

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

>  <CAS Number> (13)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/10101813162D

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SM 7338

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Antifection

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Free Base

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http://www.selleckchem.com/products/Meropenem.html

>  <CAS Number> (14)
96036-03-2

$$$$
Tenofovir(PMPA).cdx
csChFnd80/10101813162D

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Viread

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Reverse Transcriptase

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Free Base

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

>  <CAS Number> (15)
147127-20-6

$$$$
Tigecycline.cdx
csChFnd80/10101813162D

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304

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C29H39N5O8

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Tigecycline

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S1403

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Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

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Antifection

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Free Base

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

>  <CAS Number> (16)
220620-09-7

$$$$
Linezolid.cdx
csChFnd80/10101813162D

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Zyvoxid, Zyvoxam

>  <Target> (17)
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>  <URL> (17)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (17)
165800-03-3

$$$$
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csChFnd80/10101813162D

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348

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C21H25ClFN3O4

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437.8923032

>  <Item Name> (18)
Moxifloxacin hydrochloride

>  <Catalog Number> (18)
S1465

>  <Synonyms> (18)
Avelox, Avalox

>  <Target> (18)
Topoisomerase

>  <Form> (18)
Hydrochloride

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

>  <CAS Number> (18)
186826-86-8

$$$$
VX-222.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (19)
356

>  <Formula> (19)
C25H35NO4S

>  <MolWeight> (19)
445.6147

>  <Item Name> (19)
Lomibuvir (VX-222, VCH-222)

>  <Catalog Number> (19)
S1480

>  <Synonyms> (19)
N/A

>  <Target> (19)
HCV Protease

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/VX-222.html

>  <CAS Number> (19)
1026785-55-6

$$$$
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csChFnd80/10101813162D

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>  <Mol_ID> (20)
358

>  <Formula> (20)
C40H50N8O6

>  <MolWeight> (20)
738.875

>  <Item Name> (20)
Daclatasvir (BMS-790052)

>  <Catalog Number> (20)
S1482

>  <Synonyms> (20)
N/A

>  <Target> (20)
HCV Protease

>  <Form> (20)
Free Base

>  <URL> (20)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (20)
1009119-64-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (21)
373

>  <Formula> (21)
C13H17N5O8S2

>  <MolWeight> (21)
435.43278

>  <Item Name> (21)
Aztreonam (Azactam, Cayston)

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S1505

>  <Synonyms> (21)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (21)
Antifection

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/Aztreonam(Azactam).html

>  <CAS Number> (21)
78110-38-0

$$$$
Cidofovir .cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (22)
380

>  <Formula> (22)
C8H14N3O6P

>  <MolWeight> (22)
279.187021

>  <Item Name> (22)
Cidofovir (Vistide)

>  <Catalog Number> (22)
S1516

>  <Synonyms> (22)
Vistide

>  <Target> (22)
Others

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
113852-37-2

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (23)
405

>  <Formula> (23)
C47H73NO17

>  <MolWeight> (23)
924.07902

>  <Item Name> (23)
Amphotericin B

>  <Catalog Number> (23)
S1636

>  <Synonyms> (23)
N/A

>  <Target> (23)
Antifection

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (23)
1397-89-3

$$$$
Amikacin hydrate.cdx
csChFnd80/10101813162D

 43 43  0  0  0  0  0  0  0  0999 V2000
    3.3446    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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A   42
R
M  END
>  <Mol_ID> (24)
412

>  <Formula> (24)
C22H45N5O14R

>  <MolWeight> (24)
603.6178

>  <Item Name> (24)
Amikacin hydrate

>  <Catalog Number> (24)
S3122

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Antifection

>  <Form> (24)
Hydrate

>  <URL> (24)
http://www.selleckchem.com/products/amikacin-hydrate.html

>  <CAS Number> (24)
1257517-67-1

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/10101813162D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    6.0239    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    4.7646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    3.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    2.5117    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8700    0.0000 N   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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  8 14  2  0  0  0  0
  1 15  1  6  0  0  0
  7 16  1  6  0  0  0
  7 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (25)
439

>  <Formula> (25)
C14H13N5O5S2

>  <MolWeight> (25)
395.41352

>  <Item Name> (25)
Cefdinir (Omnicef)

>  <Catalog Number> (25)
S1605

>  <Synonyms> (25)
FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (25)
Antifection

>  <Form> (25)
Free Base

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

>  <CAS Number> (25)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/10101813162D

 25 28  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
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9753    3.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    5.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2507    6.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607    5.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431    3.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8622    5.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147    5.8059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    4.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604    3.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    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
  5  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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  7 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  7 20  1  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
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (26)
440

>  <Formula> (26)
C22H17ClN2

>  <MolWeight> (26)
344.83678

>  <Item Name> (26)
Clotrimazole (Canesten)

>  <Catalog Number> (26)
S1606

>  <Synonyms> (26)
Lotrimin, Mycelex, Canesten

>  <Target> (26)
Antifection

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/Clotrimazole(Canesten).html

>  <CAS Number> (26)
23593-75-1

$$$$
Artemether.cdx
csChFnd80/10101813162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.4620    6.4729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4620    5.0729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6745    4.3729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8869    5.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8869    6.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6745    7.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3675    7.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0026    7.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    5.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0026    4.5115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3675    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6745    8.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3675    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5799    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7923    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0268    4.0105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076    6.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620    6.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    3.2101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1446    2.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5799    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3675    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4620    7.8729    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  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
  1  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 11  1  0  0  0  0
 11  2  1  0  0  0  0
  6 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
  3 16  1  6  0  0  0
  9 17  1  0  0  0  0
  2 18  1  6  0  0  0
 17 18  1  0  0  0  0
  9 19  1  1  0  0  0
 11 20  1  1  0  0  0
 15 21  1  1  0  0  0
 14 22  1  1  0  0  0
 22 23  1  0  0  0  0
  1 24  1  6  0  0  0
M  END
>  <Mol_ID> (27)
448

>  <Formula> (27)
C16H26O5

>  <MolWeight> (27)
298.37464

>  <Item Name> (27)
Artemether

>  <Catalog Number> (27)
S2264

>  <Synonyms> (27)
SM-224, CGP 56696

>  <Target> (27)
Antifection

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (27)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    3.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    3.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    1.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3423    3.1182    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 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
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (28)
449

>  <Formula> (28)
C11H12N4O3S

>  <MolWeight> (28)
280.30298

>  <Item Name> (28)
Sulfameter (Bayrena)

>  <Catalog Number> (28)
S1618

>  <Synonyms> (28)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (28)
DHFR

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (28)
651-06-9

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/10101813162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.7353    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    3.1372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879    4.5576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    4.2659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8629    4.2659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8629    5.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    3.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0172    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    6.0986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4763    6.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    4.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6255    7.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6446    2.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    8.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    7.7155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.1396    7.6708    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.1784    1.1083    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  1  1  0  0  0  0
  4  6  1  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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 14  1  6  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 16  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 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  1  0  0  0
 17 27  1  1  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (29)
462

>  <Formula> (29)
C19H20N3NaO6S

>  <MolWeight> (29)
441.43337

>  <Item Name> (29)
Oxacillin sodium monohydrate

>  <Catalog Number> (29)
S2563

>  <Synonyms> (29)
N/A

>  <Target> (29)
Antifection

>  <Form> (29)
Sodium Salt & hydrate

>  <URL> (29)
http://www.selleckchem.com/products/Oxacillin-sodium-monohydrate.html

>  <CAS Number> (29)
7240-38-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/10101813162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.3950    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616    1.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6650    2.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    3.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    3.2282    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0173    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    1.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    2.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7018    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8690    4.6109    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  1  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  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
 10 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
M  END
>  <Mol_ID> (30)
469

>  <Formula> (30)
C6H6N4O4

>  <MolWeight> (30)
198.13624

>  <Item Name> (30)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (30)
S1644

>  <Synonyms> (30)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (30)
Antifection

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (30)
59-87-0

$$$$
Artemisinin.cdx
csChFnd80/10101813162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9757    2.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037    5.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560    4.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857    2.1478    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  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  5  1  0  0  0  0
  5 12  1  6  0  0  0
 11 13  1  6  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  8  1  0  0  0  0
  8 17  1  6  0  0  0
 16 18  1  1  0  0  0
 15 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  6  0  0  0
 21 22  1  0  0  0  0
  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (31)
472

>  <Formula> (31)
C15H22O5

>  <MolWeight> (31)
282.33218

>  <Item Name> (31)
Artemisinin

>  <Catalog Number> (31)
S1282

>  <Synonyms> (31)
Qinghaosu

>  <Target> (31)
Antifection

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Artemisinin.html

>  <CAS Number> (31)
63968-64-9

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3376    4.3937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    5.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.3180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9015    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2996    1.0842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6619    2.4365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4878    3.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0486    2.0585    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
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  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 14  1  0  0  0  0
 14 10  1  0  0  0  0
 10  5  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (32)
477

>  <Formula> (32)
C10H14N2O5

>  <MolWeight> (32)
242.22856

>  <Item Name> (32)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (32)
S1651

>  <Synonyms> (32)
N/A

>  <Target> (32)
Reverse Transcriptase

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (32)
3424-98-4

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/10101813162D

  9  9  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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 N   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  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (33)
485

>  <Formula> (33)
C4H4FN3O

>  <MolWeight> (33)
129.0924632

>  <Item Name> (33)
Flucytosine (Ancobon)

>  <Catalog Number> (33)
S1666

>  <Synonyms> (33)
5-fluorocytosine, Ancotil

>  <Target> (33)
Antifection

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (33)
2022-85-7

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/10101813162D

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.6289    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6784    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3115    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.9875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0991    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 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
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 20 22  1  1  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (34)
490

>  <Formula> (34)
C21H36ClNO

>  <MolWeight> (34)
353.96964

>  <Item Name> (34)
Amorolfine Hydrochloride

>  <Catalog Number> (34)
S1676

>  <Synonyms> (34)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (34)
Antifection

>  <Form> (34)
Hydrochloride

>  <URL> (34)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (34)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/10101813162D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    3.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6097    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
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 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 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 10 18  1  1  0  0  0
 11 19  1  1  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (35)
491

>  <Formula> (35)
C11H12Cl2N2O5

>  <MolWeight> (35)
323.12938

>  <Item Name> (35)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (35)
S1677

>  <Synonyms> (35)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (35)
Antifection

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (35)
56-75-7

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/10101813162D

 36 39  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  2  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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9942    7.3125    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  2  0  0  0  0
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  6  1  2  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
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 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
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  6  0  0  0
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 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 11 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (36)
497

>  <Formula> (36)
C27H37FO6

>  <MolWeight> (36)
476.5774832

>  <Item Name> (36)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (36)
S1690

>  <Synonyms> (36)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (36)
Glucocorticoid Receptor

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (36)
2152-44-5 

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/10101813162D

 23 26  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 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
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    3.6373    2.8000    0.0000 C   0  0  3  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
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    8.3927    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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  4  7  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (37)
498

>  <Formula> (37)
C19H24N2O2

>  <MolWeight> (37)
312.40606

>  <Item Name> (37)
Praziquantel (Biltricide)

>  <Catalog Number> (37)
S1691

>  <Synonyms> (37)
Droncit

>  <Target> (37)
Antifection

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (37)
55268-74-1

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/10101813162D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4032    4.1388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    3.4388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    4.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    4.1388    0.0000 N   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
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  6  7  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  2  0  0  0  0
 12  8  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 10  1  0  0  0  0
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  4  8  1  1  0  0  0
M  END
>  <Mol_ID> (38)
505

>  <Formula> (38)
C10H12N4O3

>  <MolWeight> (38)
236.22728

>  <Item Name> (38)
Didanosine (Videx)

>  <Catalog Number> (38)
S1702

>  <Synonyms> (38)
Videx EC 

>  <Target> (38)
NULL

>  <Form> (38)
Free Base

>  <URL> (38)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (38)
69655-05-6

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/10101813162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    4.2514    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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (39)
508

>  <Formula> (39)
C8H11N3O3S

>  <MolWeight> (39)
229.25624

>  <Item Name> (39)
Lamivudine (Epivir)

>  <Catalog Number> (39)
S1706

>  <Synonyms> (39)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (39)
Reverse Transcriptase

>  <Form> (39)
Free Base

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

>  <CAS Number> (39)
134678-17-4

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/10101813162D

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    9.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    6.9702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    9.0702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    9.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    9.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    7.2376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0353    5.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6058    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  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
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (40)
517

>  <Formula> (40)
C20H32N5O8P

>  <MolWeight> (40)
501.470541

>  <Item Name> (40)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (40)
S1718

>  <Synonyms> (40)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (40)
Reverse Transcriptase

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (40)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/10101813162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.1207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.1479    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  4  7  1  1  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (41)
518

>  <Formula> (41)
C9H13N3O3

>  <MolWeight> (41)
211.21782

>  <Item Name> (41)
Zalcitabine

>  <Catalog Number> (41)
S1719

>  <Synonyms> (41)
Hivid, Dideoxycytidine 

>  <Target> (41)
Reverse Transcriptase

>  <Form> (41)
Free Base

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

>  <CAS Number> (41)
7481-89-2

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/10101813162D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    6.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    6.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    0.0000    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  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  8  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <Mol_ID> (42)
532

>  <Formula> (42)
C15H14N4O

>  <MolWeight> (42)
266.29786

>  <Item Name> (42)
Nevirapine (Viramune)

>  <Catalog Number> (42)
S1742

>  <Synonyms> (42)
Viramune, BI-RG 587

>  <Target> (42)
Reverse Transcriptase

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (42)
129618-40-2

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/10101813162D

  9  9  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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (43)
536

>  <Formula> (43)
C5H5N3O

>  <MolWeight> (43)
123.1127

>  <Item Name> (43)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (43)
S1762

>  <Synonyms> (43)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (43)
Antifection

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (43)
98-96-4

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/10101813162D

 42 45  0  0  0  0  0  0  0  0999 V2000
    9.6186    4.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6186    3.0817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8311    2.3817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0435    3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0435    4.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8311    5.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2560    2.3817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4684    3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4684    4.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2560    5.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2186    4.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2186    3.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5470    1.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9394    0.8659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5088    2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    5.4682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8735    2.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6186    1.6817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8311    6.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6229    7.2744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0393    7.2744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2475    6.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4558    7.2744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6640    6.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8722    7.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6640    5.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0804    6.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8722    8.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0847    7.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6032    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4569    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    4.4786    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    3.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    2.2257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1203    0.0000 N   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  2  0  0  0  0
  6  1  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  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  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  8  2  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 18  1  1  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 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 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 12 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 41 35  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (44)
539

>  <Formula> (44)
C25H28N6O7S3

>  <MolWeight> (44)
620.72082

>  <Item Name> (44)
Cefditoren pivoxil

>  <Catalog Number> (44)
S1768

>  <Synonyms> (44)
Spectracef , Meiact

>  <Target> (44)
5-alpha Reductase 

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (44)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/10101813162D

 17 18  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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    0.0000 N   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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 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  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (45)
540

>  <Formula> (45)
C10H10N4O2S

>  <MolWeight> (45)
250.277

>  <Item Name> (45)
Sulfadiazine

>  <Catalog Number> (45)
S1770

>  <Synonyms> (45)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (45)
Antifection

>  <Form> (45)
Free Base

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

>  <CAS Number> (45)
68-35-9

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/10101813162D

 35 38  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  2  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  1  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
    6.0538    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 C   0  0  1  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
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1163    0.7404    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  1  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  1  0  0  0  0
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M  END
>  <Mol_ID> (46)
542

>  <Formula> (46)
C22H24N2O9

>  <MolWeight> (46)
460.43396

>  <Item Name> (46)
Oxytetracycline (Terramycin)

>  <Catalog Number> (46)
S1773

>  <Synonyms> (46)
Terramycin, Liquamycin

>  <Target> (46)
NULL

>  <Form> (46)
Free Base

>  <URL> (46)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (46)
79-57-2

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (47)
545

>  <Formula> (47)
C8H10N2S

>  <MolWeight> (47)
166.2434

>  <Item Name> (47)
Ethionamide

>  <Catalog Number> (47)
S1777

>  <Synonyms> (47)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (47)
Antifection

>  <Form> (47)
Free Base

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

>  <CAS Number> (47)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/10101813162D

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 13  3  1  6  0  0  0
M  END
>  <Mol_ID> (48)
546

>  <Formula> (48)
C10H11F3N2O5

>  <MolWeight> (48)
296.1999496

>  <Item Name> (48)
Trifluridine (Viroptic)

>  <Catalog Number> (48)
S1778

>  <Synonyms> (48)
Viroptic, Trifluorothymidine

>  <Target> (48)
NULL

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (48)
70-00-8

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/10101813162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.3917    9.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 11  9  1  6  0  0  0
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M  END
>  <Mol_ID> (49)
548

>  <Formula> (49)
C10H13N5O4

>  <MolWeight> (49)
267.24132

>  <Item Name> (49)
Vidarabine (Vira-A)

>  <Catalog Number> (49)
S1784

>  <Synonyms> (49)
Vira-A

>  <Target> (49)
5-alpha Reductase 

>  <Form> (49)
Free Base

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

>  <CAS Number> (49)
5536-17-4

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/10101813162D

 57 62  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
550

>  <Formula> (50)
C43H51N3O11

>  <MolWeight> (50)
785.87854

>  <Item Name> (50)
Rifaximin (Xifaxan)

>  <Catalog Number> (50)
S1790

>  <Synonyms> (50)
Rifacol, Fatroximin

>  <Target> (50)
DNA/RNA Synthesis

>  <Form> (50)
Free Base

>  <URL> (50)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (50)
80621-81-4

$$$$
Acyclovir.cdx
csChFnd80/10101813162D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    8.2611    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    2.3673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5575    0.0000    0.0000 N   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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 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  8  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (51)
557

>  <Formula> (51)
C8H11N5O3

>  <MolWeight> (51)
225.20464

>  <Item Name> (51)
Acyclovir (Aciclovir)

>  <Catalog Number> (51)
S1807

>  <Synonyms> (51)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (51)
Antifection

>  <Form> (51)
Free Base

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

>  <CAS Number> (51)
59277-89-3 

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/10101813162D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    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
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (52)
564

>  <Formula> (52)
C9H5Cl2NO

>  <MolWeight> (52)
214.0481

>  <Item Name> (52)
Chloroxine

>  <Catalog Number> (52)
S1839

>  <Synonyms> (52)
Capitrol

>  <Target> (52)
Antifection

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (52)
773-76-2

$$$$
CHENIX (chenodiol).cdx
csChFnd80/10101813162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    5.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.7326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8101    7.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    7.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    7.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    6.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    8.8253    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  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  1  6  0  0  0
  8 19  1  6  0  0  0
  5 20  1  1  0  0  0
  4 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 17 24  1  6  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (53)
566

>  <Formula> (53)
C24H40O4

>  <MolWeight> (53)
392.572

>  <Item Name> (53)
Chenodeoxycholic acid

>  <Catalog Number> (53)
S1843

>  <Synonyms> (53)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (53)
NULL

>  <Form> (53)
Free Base

>  <URL> (53)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (53)
474-25-9 

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/10101813162D

 10 10  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 N   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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 N   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
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (54)
573

>  <Formula> (54)
C6H7N3O

>  <MolWeight> (54)
137.13928

>  <Item Name> (54)
Isoniazid (Tubizid)

>  <Catalog Number> (54)
S1937

>  <Synonyms> (54)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (54)
Angiogenesis

>  <Form> (54)
Free Base

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

>  <CAS Number> (54)
54-85-3

$$$$
Miconazole nitrate.cdx
csChFnd80/10101813162D

 29 30  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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    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
    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5248    1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373    2.3188    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7373    3.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9455    1.6212    0.0000 O   0  5  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
  4  8  1  0  0  0  0
  5  9  1  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
  9 13  1  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 12 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 12  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (55)
580

>  <Formula> (55)
C18H15Cl4N3O4

>  <MolWeight> (55)
479.1414

>  <Item Name> (55)
Miconazole nitrate

>  <Catalog Number> (55)
S1956

>  <Synonyms> (55)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (55)
Antifection

>  <Form> (55)
Nitrate 

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

>  <CAS Number> (55)
22832-87-7

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/10101813162D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1326    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5921    1.7626    0.0000 N   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
  6  2  1  0  0  0  0
  6  7  1  6  0  0  0
M  END
>  <Mol_ID> (56)
588

>  <Formula> (56)
C3H6N2O2

>  <MolWeight> (56)
102.09194

>  <Item Name> (56)
D-Cycloserine

>  <Catalog Number> (56)
S1998

>  <Synonyms> (56)
Seromycin

>  <Target> (56)
Antifection

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/D-Cycloserine.html

>  <CAS Number> (56)
68-41-7

$$$$
untitled.cdx
csChFnd80/10101813162D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2788    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   10.5152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.7104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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S2001

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N/A 

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Integrase 

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Free Base

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http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (57)
697761-98-1

$$$$
untitled.cdx
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592

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Maraviroc

>  <Catalog Number> (58)
S2003

>  <Synonyms> (58)
UK-427857, Celsentri 

>  <Target> (58)
CCR5 

>  <Form> (58)
Free Base

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

>  <CAS Number> (58)
376348-65-1

$$$$
Raltegravir.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (59)
594

>  <Formula> (59)
C20H21FN6O5

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444.4163432

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Raltegravir (MK-0518)

>  <Catalog Number> (59)
S2005

>  <Synonyms> (59)
Isentress 

>  <Target> (59)
Integrase

>  <Form> (59)
Free Base

>  <URL> (59)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (59)
518048-05-0

$$$$
pyrimethamine.cdx
csChFnd80/10101813162D

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595

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C12H13ClN4

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Pyrimethamine

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S2006

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Daraprim

>  <Target> (60)
NULL

>  <Form> (60)
Free Base

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

>  <CAS Number> (60)
58-14-0

$$$$
Hordenine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (61)
626

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C10H15NO

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Hordenine

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S2385

>  <Synonyms> (61)
N,N-dimethyl-4-hydroxyphenylethylamine 

>  <Target> (61)
Antifection

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/Hordenine.html

>  <CAS Number> (61)
539-15-1 

$$$$
Methenamine.cdx
csChFnd80/10101813162D

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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
  1  5  1  0  0  0  0
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  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
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 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (62)
663

>  <Formula> (62)
C6H12N4

>  <MolWeight> (62)
140.18628

>  <Item Name> (62)
Methenamine (Mandelamine)

>  <Catalog Number> (62)
S3139

>  <Synonyms> (62)
N/A 

>  <Target> (62)
Antifection

>  <Form> (62)
Free Base

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

>  <CAS Number> (62)
100-97-0 

$$$$
Nadifloxacin.cdx
csChFnd80/10101813162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  5 10  1  0  0  0  0
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  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
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  3 14  1  0  0  0  0
  2 17  2  0  0  0  0
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 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (63)
665

>  <Formula> (63)
C19H21FN2O4

>  <MolWeight> (63)
360.3794432

>  <Item Name> (63)
Nadifloxacin

>  <Catalog Number> (63)
S3105

>  <Synonyms> (63)
Nadixa 

>  <Target> (63)
Antifection

>  <Form> (63)
Free Base

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

>  <CAS Number> (63)
124858-35-1

$$$$
Tebipenem pivoxil.cdx
csChFnd80/10101813162D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.4229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.0229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    7.4229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1564    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    8.8229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5868    8.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9733    9.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3561    9.5904    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   10.8378    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
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  7  4  1  0  0  0  0
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  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 10 20  2  0  0  0  0
  2 21  2  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
  1 25  1  1  0  0  0
  7 26  1  1  0  0  0
  4 27  1  6  0  0  0
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M  END
>  <Mol_ID> (64)
670

>  <Formula> (64)
C22H31N3O6S2

>  <MolWeight> (64)
497.62804

>  <Item Name> (64)
Tebipenem pivoxil (L-084)

>  <Catalog Number> (64)
S2159

>  <Synonyms> (64)
L-084, TBPM-PI, ME1211 

>  <Target> (64)
Antifection

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (64)
161715-24-8

$$$$
Ornidazole.cdx
csChFnd80/10101813162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4116    5.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    3.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    3.2338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    4.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    5.4991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    2.8436    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.4512    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1742    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9700    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4724    2.6537    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  3  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (65)
680

>  <Formula> (65)
C7H10ClN3O3

>  <MolWeight> (65)
219.6256

>  <Item Name> (65)
Ornidazole

>  <Catalog Number> (65)
S3121

>  <Synonyms> (65)
N/A 

>  <Target> (65)
Antifection

>  <Form> (65)
Free Base

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

>  <CAS Number> (65)
16773-42-5

$$$$
ivermectin.cdx
csChFnd80/10101813162D

 68 74  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
684

>  <Formula> (66)
C48H74O14

>  <MolWeight> (66)
875.09276

>  <Item Name> (66)
Ivermectin

>  <Catalog Number> (66)
S1351

>  <Synonyms> (66)
Stromectol

>  <Target> (66)
Antifection

>  <Form> (66)
Free Base

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

>  <CAS Number> (66)
70288-86-7

$$$$
AVC (sulfanilamide).cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
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  8 10  2  0  0  0  0
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M  END
>  <Mol_ID> (67)
685

>  <Formula> (67)
C6H8N2O2S

>  <MolWeight> (67)
172.20492

>  <Item Name> (67)
Sulfanilamide

>  <Catalog Number> (67)
S1685

>  <Synonyms> (67)
N/A

>  <Target> (67)
Antifection

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/Sulfanilamide.html

>  <CAS Number> (67)
63-74-1

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10101813162D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (68)
729

>  <Formula> (68)
C20H18ClNO4

>  <MolWeight> (68)
371.81422

>  <Item Name> (68)
Berberine chloride

>  <Catalog Number> (68)
S2271

>  <Synonyms> (68)
N/A

>  <Target> (68)
Antifection

>  <Form> (68)
chloride

>  <URL> (68)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (68)
633-65-8

$$$$
Cinchonidine.cdx
csChFnd80/10101813162D

 24 27  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
    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
    3.6373    0.0000    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
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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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    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (69)
735

>  <Formula> (69)
C19H22N2O

>  <MolWeight> (69)
294.39078

>  <Item Name> (69)
Cinchonidine

>  <Catalog Number> (69)
S2282

>  <Synonyms> (69)
N/A

>  <Target> (69)
Antifection

>  <Form> (69)
Free Base

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

>  <CAS Number> (69)
485-71-2

$$$$
Oleanolic Acid.cdx
csChFnd80/10101813162D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    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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 18 12  1  0  0  0  0
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 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
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 21 25  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  2 30  1  1  0  0  0
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 18 33  1  1  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (70)
778

>  <Formula> (70)
C30H48O3

>  <MolWeight> (70)
456.70032

>  <Item Name> (70)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (70)
S2334

>  <Synonyms> (70)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (70)
Antifection

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (70)
508-02-1

$$$$
Famciclovir.cdx
csChFnd80/10101813162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    8.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    9.9580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    2.0951    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  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  7 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
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (71)
817

>  <Formula> (71)
C14H19N5O4

>  <MolWeight> (71)
321.33176

>  <Item Name> (71)
Famciclovir (Famvir)

>  <Catalog Number> (71)
S2467

>  <Synonyms> (71)
Famvir

>  <Target> (71)
Antifection

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
104227-87-4

$$$$
Fenbendazole.cdx
csChFnd80/10101813162D

 21 23  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
    3.6331    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    0.2698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9151    2.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    5.0313    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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  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
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (72)
818

>  <Formula> (72)
C15H13N3O2S

>  <MolWeight> (72)
299.34762

>  <Item Name> (72)
Fenbendazole (Panacur)

>  <Catalog Number> (72)
S2468

>  <Synonyms> (72)
 Panacur, Safe-Guard

>  <Target> (72)
Antifection

>  <Form> (72)
Free Base

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

>  <CAS Number> (72)
43210-67-9

$$$$
Lincomycin  HCl.cdx
csChFnd80/10101813162D

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.4417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.7417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.4417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    7.6417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    9.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571   10.2078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571   11.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877   11.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509   12.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   11.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521   11.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118    0.0000    0.0000 Cl  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  6  0  0  0
  7 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  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 14  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  6  0  0  0
  4 25  1  6  0  0  0
 25 26  1  0  0  0  0
  8 27  1  1  0  0  0
  6 28  1  6  0  0  0
M  END
>  <Mol_ID> (73)
824

>  <Formula> (73)
C18H35ClN2O6S

>  <MolWeight> (73)
442.9983

>  <Item Name> (73)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (73)
S2479

>  <Synonyms> (73)
Lincocin

>  <Target> (73)
Antifection

>  <Form> (73)
Hydrochloride

>  <URL> (73)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (73)
859-18-7

$$$$
Moroxydine HCl.cdx
csChFnd80/10101813162D

 13 12  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 O   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 N   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
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8014    1.3417    0.0000 Cl  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  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
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (74)
839

>  <Formula> (74)
C6H14ClN5O

>  <MolWeight> (74)
207.66126

>  <Item Name> (74)
Moroxydine HCl

>  <Catalog Number> (74)
S2486

>  <Synonyms> (74)
N/A

>  <Target> (74)
Antifection

>  <Form> (74)
Hydrochloride

>  <URL> (74)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (74)
3160-91-6

$$$$
Novobiocin sodium.cdx
csChFnd80/10101813162D

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 C   0  0  1  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    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    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
    9.6953    2.7951    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
    8.4828    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    6.9951    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
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    6.9951    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
   15.7575    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    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
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    9.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.1781    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5988    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0166    8.0306    0.0000 Na  0  3  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
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  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  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
  2 30  1  6  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
  6 35  1  0  0  0  0
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 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (75)
845

>  <Formula> (75)
C31H35N2NaO11

>  <MolWeight> (75)
634.60617

>  <Item Name> (75)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (75)
S2492

>  <Synonyms> (75)
Albamycin, Cathomycin

>  <Target> (75)
Topoisomerase

>  <Form> (75)
Sodium Salt

>  <URL> (75)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (75)
1476-53-5

$$$$
Ribavirin.cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.6550    3.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6 17  1  0  0  0  0
M  END
>  <Mol_ID> (76)
854

>  <Formula> (76)
C8H12N4O5

>  <MolWeight> (76)
244.20468

>  <Item Name> (76)
Ribavirin (Copegus)

>  <Catalog Number> (76)
S2504

>  <Synonyms> (76)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (76)
Antifection

>  <Form> (76)
Free Base

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

>  <CAS Number> (76)
36791-04-5

$$$$
Spectinomycin  HCl.cdx
csChFnd80/10101813162D

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6289    4.1417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8413    3.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7497    4.2313    0.0000 Cl  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  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  8 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  9  1  0  0  0  0
 11 15  2  0  0  0  0
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  3 18  1  1  0  0  0
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  1 20  1  1  0  0  0
  6 21  1  6  0  0  0
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 13 23  1  6  0  0  0
  4 24  1  1  0  0  0
 20 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (77)
859

>  <Formula> (77)
C14H26Cl2N2O7

>  <MolWeight> (77)
405.27144

>  <Item Name> (77)
Spectinomycin 2HCl

>  <Catalog Number> (77)
S2510

>  <Synonyms> (77)
Actinospectacin

>  <Target> (77)
Antifection

>  <Form> (77)
dihydrochloride

>  <URL> (77)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (77)
21736-83-4

$$$$
Sulfadoxine.cdx
csChFnd80/10101813162D

 21 22  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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5413    1.5851    0.0000 O   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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  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
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (78)
860

>  <Formula> (78)
C12H14N4O4S

>  <MolWeight> (78)
310.32896

>  <Item Name> (78)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (78)
S2511

>  <Synonyms> (78)
Sulphadoxine

>  <Target> (78)
Antifection

>  <Form> (78)
Free Base

>  <URL> (78)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (78)
2447-57-6

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/10101813162D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (79)
861

>  <Formula> (79)
C21H26ClN

>  <MolWeight> (79)
327.89084

>  <Item Name> (79)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (79)
S2557

>  <Synonyms> (79)
Zabel

>  <Target> (79)
Antifection

>  <Form> (79)
Hydrochloride

>  <URL> (79)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (79)
78628-80-5

$$$$
Methacycline hydrochloride.cdx
csChFnd80/10101813162D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 21 17  1  0  0  0  0
  3 22  1  0  0  0  0
 10 23  2  0  0  0  0
  7 24  2  0  0  0  0
 15 25  2  0  0  0  0
 19 26  2  0  0  0  0
  9 27  1  6  0  0  0
 14 28  1  6  0  0  0
 13 29  1  6  0  0  0
 18 30  1  6  0  0  0
 12 31  1  6  0  0  0
 11 32  1  0  0  0  0
  7  8  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (80)
869

>  <Formula> (80)
C22H23ClN2O8

>  <MolWeight> (80)
478.87962

>  <Item Name> (80)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (80)
S2527

>  <Synonyms> (80)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (80)
Antifection

>  <Form> (80)
Hydrochloride 

>  <URL> (80)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (80)
3963-95-9

$$$$
7-Aminocephalosporanic acid.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.3865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5990    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5990    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8072    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0196    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2278    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3865    0.0000    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  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  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
 14 16  2  0  0  0  0
  7 17  2  0  0  0  0
  8 18  1  6  0  0  0
  2 19  1  1  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (81)
872

>  <Formula> (81)
C10H12N2O5S

>  <MolWeight> (81)
272.27768

>  <Item Name> (81)
7-Aminocephalosporanic acid

>  <Catalog Number> (81)
S2530

>  <Synonyms> (81)
7-ACA 

>  <Target> (81)
Others

>  <Form> (81)
Free Base

>  <URL> (81)
http://www.selleckchem.com/products/7-Aminocephalosporanic-acid.html

>  <CAS Number> (81)
957-68-6

$$$$
Isoconazole nitrate.cdx
csChFnd80/10101813162D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8350    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    6.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    8.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    8.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1959   10.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.8054    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    4.7127    1.2082    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
  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
  4 12  1  0  0  0  0
  8 13  1  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 11 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 11  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (82)
876

>  <Formula> (82)
C18H15Cl4N3O4

>  <MolWeight> (82)
479.1414

>  <Item Name> (82)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (82)
S2534

>  <Synonyms> (82)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (82)
Antifection

>  <Form> (82)
Nitrate 

>  <URL> (82)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (82)
24168-96-5

$$$$
Secnidazole.cdx
csChFnd80/10101813162D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4680    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705    5.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    5.6668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    3.8980    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9765    4.8348    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2272    2.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0432    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    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  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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (83)
879

>  <Formula> (83)
C7H11N3O3

>  <MolWeight> (83)
185.18054

>  <Item Name> (83)
Secnidazole (Flagentyl)

>  <Catalog Number> (83)
S2537

>  <Synonyms> (83)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (83)
Antifection

>  <Form> (83)
Free Base

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

>  <CAS Number> (83)
3366-95-8

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/10101813162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    4.1951    0.0000 N   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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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (84)
897

>  <Formula> (84)
C17H20ClF2N3O3

>  <MolWeight> (84)
387.8088064

>  <Item Name> (84)
Lomefloxacin hydrochloride (Maxaquin)

>  <Catalog Number> (84)
S2539

>  <Synonyms> (84)
Maxaquin, Okacyn, Uniquin

>  <Target> (84)
Antifection

>  <Form> (84)
Hydrochloride 

>  <URL> (84)
http://www.selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

>  <CAS Number> (84)
98079-52-8

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/10101813162D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6011    4.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2342    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1325    6.1324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (85)
900

>  <Formula> (85)
C19H18ClN5O7S3

>  <MolWeight> (85)
560.02352

>  <Item Name> (85)
Ceftiofur hydrochloride 

>  <Catalog Number> (85)
S2543

>  <Synonyms> (85)
N/A

>  <Target> (85)
Antifection

>  <Form> (85)
Hydrochloride 

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

>  <CAS Number> (85)
103980-44-5

$$$$
Cloxacillin sodium.cdx
csChFnd80/10101813162D

 32 33  0  0  0  0  0  0  0  0999 V2000
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  1  8  1  1  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (86)
914

>  <Formula> (86)
C19H19ClN3NaO6S

>  <MolWeight> (86)
475.87843

>  <Item Name> (86)
Cloxacillin sodium

>  <Catalog Number> (86)
S2564

>  <Synonyms> (86)
Cloxapen, Cloxacap, Orbenin

>  <Target> (86)
Antifection

>  <Form> (86)
Sodium Salt & hydrate

>  <URL> (86)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (86)
7081-44-9

$$$$
GSK1349572.cdx
csChFnd80/10101813162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
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 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 29 23  1  0  0  0  0
 29 30  1  6  0  0  0
 22 31  1  6  0  0  0
M  END
>  <Mol_ID> (87)
944

>  <Formula> (87)
C20H19F2N3O5

>  <MolWeight> (87)
419.3787664

>  <Item Name> (87)
Dolutegravir (GSK1349572)

>  <Catalog Number> (87)
S2667

>  <Synonyms> (87)
S/GSK1349572

>  <Target> (87)
Integrase

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/s-gsk1349572.html

>  <CAS Number> (87)
1051375-16-6

$$$$
Neomycin sulfate.cdx
csChFnd80/10101813162D

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.2082   11.0639    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (88)
971

>  <Formula> (88)
C23H48N6O17S

>  <MolWeight> (88)
712.72222

>  <Item Name> (88)
Neomycin sulfate

>  <Catalog Number> (88)
S2568 

>  <Synonyms> (88)
N/A

>  <Target> (88)
Antifection

>  <Form> (88)
Sulfate

>  <URL> (88)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (88)
1405-10-3

$$$$
Amoxicillin sodium.cdx
csChFnd80/10101813162D

 27 28  0  0  0  0  0  0  0  0999 V2000
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    8.4660    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1975    1.6601    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0204    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    3.9253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2328    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2328    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6286    5.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6951    6.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9933    5.5423    0.0000 O   0  5  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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 13 14  1  0  0  0  0
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  8 16  1  6  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 13 27  1  1  0  0  0
M  END
>  <Mol_ID> (89)
983

>  <Formula> (89)
C16H18N3NaO5S

>  <MolWeight> (89)
387.38599

>  <Item Name> (89)
Amoxicillin sodium (Amox)

>  <Catalog Number> (89)
S2565

>  <Synonyms> (89)
Amoxycillin 

>  <Target> (89)
Antifection

>  <Form> (89)
Sodium Salt

>  <URL> (89)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (89)
34642-77-8

$$$$
ADONITOL.cdx
csChFnd80/10101813162D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    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  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  6  0  0  0
  4 10  1  1  0  0  0
M  END
>  <Mol_ID> (90)
1008

>  <Formula> (90)
C5H12O5

>  <MolWeight> (90)
152.14578

>  <Item Name> (90)
Ribitol (Adonitol)

>  <Catalog Number> (90)
S2612 

>  <Synonyms> (90)
Adonite 
)

>  <Target> (90)
Antifection

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/ribitol-adonitol.html

>  <CAS Number> (90)
488-81-3 

$$$$
Clorsulon.cdx
csChFnd80/10101813162D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1003    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.1003    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7496    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
  5 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (91)
1035

>  <Formula> (91)
C8H8Cl3N3O4S2

>  <MolWeight> (91)
380.65582

>  <Item Name> (91)
Clorsulon

>  <Catalog Number> (91)
S2613 

>  <Synonyms> (91)
N/A

>  <Target> (91)
Antifection

>  <Form> (91)
Free Base

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

>  <CAS Number> (91)
60200-06-8

$$$$
Bifonazole.cdx
csChFnd80/10101813162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   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
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  3  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
    3.6331    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    8.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    8.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    7.1132    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
    6.0538    2.0976    0.0000 C   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
    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  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
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  8 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  8  1  0  0  0  0
 16 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
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (92)
1055

>  <Formula> (92)
C22H18N2

>  <MolWeight> (92)
310.39172

>  <Item Name> (92)
Bifonazole

>  <Catalog Number> (92)
S1854

>  <Synonyms> (92)
N/A

>  <Target> (92)
Antifection

>  <Form> (92)
Free Base

>  <URL> (92)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (92)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/10101813162D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    7.7707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    3.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    9.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.0716    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788    1.2082    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
  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
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 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 11  1  0  0  0  0
 15 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 15  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (93)
1056

>  <Formula> (93)
C19H18Cl3N3O3S

>  <MolWeight> (93)
474.78852

>  <Item Name> (93)
Butoconazole nitrate

>  <Catalog Number> (93)
S1833

>  <Synonyms> (93)
N/A

>  <Target> (93)
Antifection

>  <Form> (93)
Nitrate

>  <URL> (93)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (93)
64872-77-1

$$$$
Ganciclovir.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    1.6169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.8822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5447    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
  2  3  2  0  0  0  0
  3  4  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  5  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (94)
1060

>  <Formula> (94)
C9H13N5O4

>  <MolWeight> (94)
255.23062

>  <Item Name> (94)
Ganciclovir

>  <Catalog Number> (94)
S1878

>  <Synonyms> (94)
Cytovene

>  <Target> (94)
Antifection

>  <Form> (94)
Free Base

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

>  <CAS Number> (94)
82410-32-0

$$$$
Sulphadimethoxine.cdx
csChFnd80/10101813162D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0538    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (95)
1064

>  <Formula> (95)
C12H14N4O4S

>  <MolWeight> (95)
310.32896

>  <Item Name> (95)
Sulphadimethoxine

>  <Catalog Number> (95)
S1962

>  <Synonyms> (95)
Di-Methox, Albon

>  <Target> (95)
Antifection

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (95)
122-11-2

$$$$
Cefoperazone acid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (96)
1068

>  <Formula> (96)
C25H27N9O8S2

>  <MolWeight> (96)
645.66738

>  <Item Name> (96)
Cefoperazone (Cefobid)

>  <Catalog Number> (96)
S1611

>  <Synonyms> (96)
N/A 

>  <Target> (96)
Antifection

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (96)
62893-19-0

$$$$
NATACYN (natamycin).cdx
csChFnd80/10101813162D

 50 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
1070

>  <Formula> (97)
C33H47NO13

>  <MolWeight> (97)
665.72518

>  <Item Name> (97)
Natamycin

>  <Catalog Number> (97)
S1517

>  <Synonyms> (97)
Pimaricin

>  <Target> (97)
Antifection

>  <Form> (97)
Free Base

>  <URL> (97)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (97)
7681-93-8

$$$$
Streptomycin sulfate.cdx
csChFnd80/10101813162D

 99100  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (98)
1082

>  <Formula> (98)
C42H84N14O36S3

>  <MolWeight> (98)
1457.38356

>  <Item Name> (98)
Streptomycin sulfate

>  <Catalog Number> (98)
S2572

>  <Synonyms> (98)
N/A

>  <Target> (98)
Antifection

>  <Form> (98)
1.5 Sulfate

>  <URL> (98)
http://www.selleckchem.com/products/streptomycin-sulfate.html

>  <CAS Number> (98)
3810-74-0 

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (99)
1083

>  <Formula> (99)
C22H25ClN2O8

>  <MolWeight> (99)
480.8955

>  <Item Name> (99)
Tetracycline hydrochloride

>  <Catalog Number> (99)
S2574 

>  <Synonyms> (99)
N/A

>  <Target> (99)
Antifection

>  <Form> (99)
Hydrochloride

>  <URL> (99)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (99)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (100)
1084

>  <Formula> (100)
C12H15Cl2NO5S

>  <MolWeight> (100)
356.2222

>  <Item Name> (100)
Thiamphenicol (Thiophenicol)

>  <Catalog Number> (100)
S2583

>  <Synonyms> (100)
N/A 

>  <Target> (100)
Antifection

>  <Form> (100)
Free Base

>  <URL> (100)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (100)
15318-45-3

$$$$
Zidovudine.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.3361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (101)
1087

>  <Formula> (101)
C10H13N5O4

>  <MolWeight> (101)
267.24132

>  <Item Name> (101)
Zidovudine (Retrovir)

>  <Catalog Number> (101)
S2579

>  <Synonyms> (101)
azidothymidine

>  <Target> (101)
Reverse Transcriptase

>  <Form> (101)
Free Base

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

>  <CAS Number> (101)
30516-87-1

$$$$
Clindamycin phosphate.cdx
csChFnd80/10101813162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.0034    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0034    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2158    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.4282    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0655    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2738    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3570    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0076    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8428    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7445    5.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3119    7.1759    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  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (102)
1101

>  <Formula> (102)
C18H34ClN2O8PS

>  <MolWeight> (102)
504.962921

>  <Item Name> (102)
Clindamycin phosphate

>  <Catalog Number> (102)
S2048

>  <Synonyms> (102)
N/A

>  <Target> (102)
Antifection

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/clindamycin-phosphate.html

>  <CAS Number> (102)
24729-96-2

$$$$
Cytidine.cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.3789    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5914    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8038    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1707    2.9579    0.0000 C   0  0  2  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
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  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
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 13  9  1  0  0  0  0
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 13 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (103)
1104

>  <Formula> (103)
C9H13N3O5

>  <MolWeight> (103)
243.21662

>  <Item Name> (103)
Cytidine

>  <Catalog Number> (103)
S2053

>  <Synonyms> (103)
N/A

>  <Target> (103)
Others

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
65-46-3

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/10101813162D

 37 38  0  0  0  0  0  0  0  0999 V2000
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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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  4  7  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
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 14  9  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
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 11 20  1  0  0  0  0
  7 21  2  0  0  0  0
  7  8  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 17 26  1  0  0  0  0
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 10 33  1  1  0  0  0
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M  END
>  <Mol_ID> (104)
1114

>  <Formula> (104)
C22H28N2O11

>  <MolWeight> (104)
496.46452

>  <Item Name> (104)
Oxytetracycline dihydrate

>  <Catalog Number> (104)
S2052 

>  <Synonyms> (104)
N/A

>  <Target> (104)
Others

>  <Form> (104)
Dihydrate

>  <URL> (104)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (104)
6153-64-6

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/10101813162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.6280    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    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
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  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  1  0  0  0  0
 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (105)
1118

>  <Formula> (105)
C16H13Cl3N2OS

>  <MolWeight> (105)
387.71122

>  <Item Name> (105)
Tioconazole

>  <Catalog Number> (105)
S1910

>  <Synonyms> (105)
N/A

>  <Target> (105)
Antifection

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (105)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/10101813162D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    6.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    2.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8185    3.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    3.2424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4558    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    1.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    1.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  6  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  9 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 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 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (106)
1119

>  <Formula> (106)
C13H21ClN6O4

>  <MolWeight> (106)
360.79664

>  <Item Name> (106)
Valaciclovir HCl

>  <Catalog Number> (106)
S1876

>  <Synonyms> (106)
N/A

>  <Target> (106)
Antifection

>  <Form> (106)
Hydrochloride

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

>  <CAS Number> (106)
124832-27-5 

$$$$
PENETREX (enoxacin).cdx
csChFnd80/10101813162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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
    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 N   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
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    8.4828    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    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
  2  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  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  5  1  0  0  0  0
  1 17  1  0  0  0  0
 16 18  2  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (107)
1128

>  <Formula> (107)
C15H17FN4O3

>  <MolWeight> (107)
320.3188832

>  <Item Name> (107)
Enoxacin (Penetrex)

>  <Catalog Number> (107)
S1756

>  <Synonyms> (107)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (107)
Topoisomerase

>  <Form> (107)
Free Base

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

>  <CAS Number> (107)
74011-58-8

$$$$
PA-824.cdx
csChFnd80/10101813162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.4668    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2544    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9229    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5290    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7414    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7414    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1663    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6124    0.0000 O   0  5  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
  2  7  2  0  0  0  0
  3  9  1  0  0  0  0
 10 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 15 18  1  0  0  0  0
 11 12  1  0  0  0  0
  5 10  1  6  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (108)
1140

>  <Formula> (108)
C14H12F3N3O5

>  <MolWeight> (108)
359.2573896

>  <Item Name> (108)
PA-824

>  <Catalog Number> (108)
S1162

>  <Synonyms> (108)
N/A

>  <Target> (108)
Antifection

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/pa-824.html

>  <CAS Number> (108)
187235-37-6

$$$$
Aloperine.cdx
csChFnd80/10101813162D

 21 24  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  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  2  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  2  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
    3.6373    5.6000    0.0000 C   0  0  1  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
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    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3373    1.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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  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  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  6  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 12  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 11  1  0  0  0  0
 11 18  1  1  0  0  0
  9 19  1  1  0  0  0
  7 20  1  1  0  0  0
  5 21  1  6  0  0  0
M  END
>  <Mol_ID> (109)
1195

>  <Formula> (109)
C15H24N2

>  <MolWeight> (109)
232.36446

>  <Item Name> (109)
Aloperine

>  <Catalog Number> (109)
S2420 

>  <Synonyms> (109)
N/A 

>  <Target> (109)
Others

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/aloperine.html

>  <CAS Number> (109)
56293-29-9

$$$$
Entecavir hydrate.cdx
csChFnd80/10101813162D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    6.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.1842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5728    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    1.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7272    1.7595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7272    3.1595    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
  2 11  1  0  0  0  0
  8 12  1  6  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 16  1  0  0  0  0
 16 12  1  0  0  0  0
 16 17  2  0  0  0  0
 14 18  1  1  0  0  0
 15 19  1  6  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (110)
1230

>  <Formula> (110)
C12H17N5O4

>  <MolWeight> (110)
295.29448

>  <Item Name> (110)
Entecavir hydrate

>  <Catalog Number> (110)
S1252

>  <Synonyms> (110)
Baraclude 

>  <Target> (110)
Reverse Transcriptase

>  <Form> (110)
Hydrate

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

>  <CAS Number> (110)
209216-23-9

$$$$
Sulfamerazine.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 N   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  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
>  <Mol_ID> (111)
1242

>  <Formula> (111)
C11H12N4O2S

>  <MolWeight> (111)
264.30358

>  <Item Name> (111)
Sulfamerazine

>  <Catalog Number> (111)
S3132

>  <Synonyms> (111)
N/A 

>  <Target> (111)
Antifection

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (111)
127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/10101813162D

 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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8313    3.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.0976    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
  8 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 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 10  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (112)
1243

>  <Formula> (112)
C12H14N4O2S

>  <MolWeight> (112)
278.33016

>  <Item Name> (112)
Sulfamethazine

>  <Catalog Number> (112)
S3133

>  <Synonyms> (112)
N/A 

>  <Target> (112)
Antifection

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (112)
57-68-1

$$$$
Trimethoprim.cdx
csChFnd80/10101813162D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   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
    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  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    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   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 O   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
    9.6995    4.9000    0.0000 O   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
  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
  1  7  1  0  0  0  0
  3  8  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
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 14 16  1  0  0  0  0
 18 19  1  0  0  0  0
 13 18  1  0  0  0  0
 20 21  1  0  0  0  0
 12 20  1  0  0  0  0
  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (113)
1246

>  <Formula> (113)
C14H18N4O3

>  <MolWeight> (113)
290.31772

>  <Item Name> (113)
Trimethoprim

>  <Catalog Number> (113)
S3129

>  <Synonyms> (113)
N/A 

>  <Target> (113)
Antifection

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
738-70-5

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/10101813162D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.8000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.2572    0.0000 Cl  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  7  2  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
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  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 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (114)
1252

>  <Formula> (114)
C23H28ClN

>  <MolWeight> (114)
353.92812

>  <Item Name> (114)
Butenafine HCl

>  <Catalog Number> (114)
S3154

>  <Synonyms> (114)
N/A 

>  <Target> (114)
Antifection

>  <Form> (114)
HCl

>  <URL> (114)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (114)
101827-46-7

$$$$
Tylosin tartrate.cdx
csChFnd80/10101813162D

 76 78  0  0  0  0  0  0  0  0999 V2000
    7.2578   11.3182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    9.9182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4702    9.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   12.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    9.9182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1075   11.3182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3200   12.0182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3200   13.4182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1075   14.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   14.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413   11.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.0158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207   14.1158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082   13.4158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.7568    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1775    5.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3857    6.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1775    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6941    9.2385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5486    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.3361    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1237    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1237    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3361    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5486    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9155    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3261    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6361    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9155    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5486    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364   12.0231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200    2.3552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4324    1.6552    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6449    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076    0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8573    1.6552    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
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  4 18  2  0  0  0  0
 14 19  1  6  0  0  0
 10 20  1  6  0  0  0
  8 21  1  6  0  0  0
  2 22  1  6  0  0  0
 13 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
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 28 27  1  6  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 30 34  1  1  0  0  0
 31 35  1  1  0  0  0
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 29 38  1  1  0  0  0
 38 39  1  0  0  0  0
  7 40  1  6  0  0  0
  9 41  1  6  0  0  0
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 46 47  1  0  0  0  0
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 51 53  1  0  0  0  0
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 49 55  1  0  0  0  0
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 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 55  1  0  0  0  0
 57 61  1  6  0  0  0
 59 62  1  6  0  0  0
 59 63  1  1  0  0  0
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 55 65  1  6  0  0  0
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 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
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 69 75  1  6  0  0  0
 68 76  1  6  0  0  0
M  END
>  <Mol_ID> (115)
1254

>  <Formula> (115)
C50H83NO23

>  <MolWeight> (115)
1066.18692

>  <Item Name> (115)
Tylosin tartrate

>  <Catalog Number> (115)
S3162

>  <Synonyms> (115)
N/A 

>  <Target> (115)
Antifection

>  <Form> (115)
Tartrate

>  <URL> (115)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (115)
74610-55-2

$$$$
Carbenicillin disodium.cdx
csChFnd80/10101813162D

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7413    3.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.3761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2255    4.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    5.3379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    4.2975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6537    3.5975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9537    2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    1.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3161    1.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561    4.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    6.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0060    3.9598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6336    1.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3483    3.3322    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7106    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7207    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    7.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4353    7.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4253    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0629    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3382    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6905    2.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9759    0.9899    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4312    5.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5453    3.7576    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1452    3.7576    0.0000 Na  0  3  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  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  1  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 15 16  2  0  0  0  0
 15 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
 17 18  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 17 24  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  6  0  0  0
  5 27  1  1  0  0  0
M  END
>  <Mol_ID> (116)
1259

>  <Formula> (116)
C17H16N2Na2O6S

>  <MolWeight> (116)
422.36328

>  <Item Name> (116)
Carbenicillin disodium

>  <Catalog Number> (116)
S3179

>  <Synonyms> (116)
N/A 

>  <Target> (116)
Antifection

>  <Form> (116)
Disodium

>  <URL> (116)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (116)
4800-94-6

$$$$
Ticarcillin sodium.cdx
csChFnd80/10101813162D

 27 27  0  0  0  0  0  0  0  0999 V2000
   13.8741    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5047    2.3861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3583    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6373    4.3479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5741    3.3075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7865    2.6075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0865    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4643    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8266    0.0971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1328    1.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4489    0.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9257    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9889    3.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1388    2.9698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1288    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7664    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4811    2.3422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1504    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8434    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9624    4.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7248    5.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0771    5.5943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.4710    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8233    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1087    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7376    2.9784    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   10.3377    2.9784    0.0000 Na  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  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  1  0  0  0
 18 19  2  0  0  0  0
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 18 22  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 23  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (117)
1262

>  <Formula> (117)
C15H16N2Na2O6S2

>  <MolWeight> (117)
430.40688

>  <Item Name> (117)
Ticarcillin sodium

>  <Catalog Number> (117)
S3193

>  <Synonyms> (117)
N/A 

>  <Target> (117)
Others

>  <Form> (117)
Sodium

>  <URL> (117)
http://www.selleckchem.com/products/ticarcillin-sodium.html

>  <CAS Number> (117)
29457-07-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/10101813162D

 33 35  0  0  0  0  0  0  0  0999 V2000
    5.8899    6.2769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9632    4.8789    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6562    4.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    5.4651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    6.6393    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9000    7.9916    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2523    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374    4.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0641    2.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3498    4.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.2040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   10.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   11.6289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8000   11.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   12.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   11.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306   15.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4710   16.2695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6834   15.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3923   14.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   14.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612   15.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4647    8.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2918    3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6651    0.0000    0.0000 Na  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  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  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 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 22 23  2  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
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 22 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  1  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7 30  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
M  END
>  <Mol_ID> (118)
1263

>  <Formula> (118)
C20H23N5NaO6S

>  <MolWeight> (118)
484.48129

>  <Item Name> (118)
Azlocillin sodium salt

>  <Catalog Number> (118)
S3195

>  <Synonyms> (118)
N/A 

>  <Target> (118)
Antifection

>  <Form> (118)
Sodium Salt

>  <URL> (118)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (118)
37091-65-9

$$$$
Sulfathiazole.cdx
csChFnd80/10101813162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    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  2  0  0  0  0
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 11 12  1  0  0  0  0
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 11 15  1  0  0  0  0
 10 12  1  0  0  0  0
  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (119)
1283

>  <Formula> (119)
C9H9N3O2S2

>  <MolWeight> (119)
255.31666

>  <Item Name> (119)
Sulfathiazole

>  <Catalog Number> (119)
S3116

>  <Synonyms> (119)
N/A 

>  <Target> (119)
Antifection

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/sulfathiazole.html

>  <CAS Number> (119)
72-14-0

$$$$
Besifloxacin HCl.cdx
csChFnd80/10101813162D

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.4799    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1130    1.3976    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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 10  2  1  0  0  0  0
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 17 15  1  0  0  0  0
  7 18  1  0  0  0  0
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 26 20  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  1  0  0  0
M  END
>  <Mol_ID> (120)
1311

>  <Formula> (120)
C19H22Cl2FN3O3

>  <MolWeight> (120)
430.3006832

>  <Item Name> (120)
Besifloxacin HCl (Besivance)

>  <Catalog Number> (120)
S3055

>  <Synonyms> (120)
N/A

>  <Target> (120)
Others

>  <Form> (120)
Hydrochloride

>  <URL> (120)
http://www.selleckchem.com/products/besifloxacin-hci.html

>  <CAS Number> (120)
405165-61-9

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/10101813162D

 36 35  0  0  0  0  0  0  0  0999 V2000
   15.2972    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5097    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9345    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1470    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5718    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9967    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2091    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4216    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4216    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6340    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   27.4216    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.2091    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   28.6340    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.8464   10.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8723    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4475    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4475    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 12 19  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 18 21  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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 28 33  2  0  0  0  0
 31 34  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <Mol_ID> (121)
1313

>  <Formula> (121)
C22H32Cl4N10

>  <MolWeight> (121)
578.36848

>  <Item Name> (121)
Chlorhexidine HCl

>  <Catalog Number> (121)
S3067

>  <Synonyms> (121)
N/A

>  <Target> (121)
Antifection

>  <Form> (121)
Dihydrochlorid

>  <URL> (121)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (121)
3697-42-5

$$$$
Enrofloxacin.cdx
csChFnd80/10101813162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0  0  0  0
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M  END
>  <Mol_ID> (122)
1316

>  <Formula> (122)
C19H22FN3O3

>  <MolWeight> (122)
359.3946832

>  <Item Name> (122)
Enrofloxacin

>  <Catalog Number> (122)
S3059

>  <Synonyms> (122)
N/A

>  <Target> (122)
Antifection

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/enrofloxacin.html

>  <CAS Number> (122)
93106-60-6

$$$$
Foscarnet Sodium.cdx
csChFnd80/10101813162D

 10  6  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.8400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (123)
1327

>  <Formula> (123)
CNa3O5P

>  <MolWeight> (123)
191.950771

>  <Item Name> (123)
Foscarnet Sodium

>  <Catalog Number> (123)
S3076

>  <Synonyms> (123)
N/A

>  <Target> (123)
Reverse Transcriptase

>  <Form> (123)
Sodium

>  <URL> (123)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (123)
63585-09-1
63585-09-1

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/10101813162D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (124)
1333

>  <Formula> (124)
C22H19ClO3

>  <MolWeight> (124)
366.83746

>  <Item Name> (124)
Atovaquone (Atavaquone)

>  <Catalog Number> (124)
S3079

>  <Synonyms> (124)
N/A

>  <Target> (124)
Antifection

>  <Form> (124)
Free Base

>  <URL> (124)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (124)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/10101813162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.7494    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5389    6.9684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3120    9.0623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3120    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7494    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5389    9.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    6.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    5.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    4.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213    4.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0525    6.9684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9434    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213    3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5389   11.1560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    9.7984    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479    9.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479    6.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    5.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3808    5.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  7  1  1  0  0  0  0
  4  2  2  0  0  0  0
  3  6  2  0  0  0  0
  4  3  1  0  0  0  0
 13  4  1  0  0  0  0
  6  5  1  0  0  0  0
 20  5  1  0  0  0  0
 19  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 18  9  2  0  0  0  0
 27  9  1  0  0  0  0
 17 10  1  0  0  0  0
 28 10  1  0  0  0  0
 11 14  3  0  0  0  0
 12 15  3  0  0  0  0
 22 13  1  0  0  0  0
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M  END
>  <Mol_ID> (125)
1334

>  <Formula> (125)
C20H15BrN6O

>  <MolWeight> (125)
435.2767

>  <Item Name> (125)
Etravirine (TMC125)

>  <Catalog Number> (125)
S3080

>  <Synonyms> (125)
N/A

>  <Target> (125)
Reverse Transcriptase

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (125)
269055-15-4

$$$$
Hygromycin B.cdx
csChFnd80/10101813162D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    2.4207    6.4856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    6.4881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1799    3.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2758    2.4221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9856    3.6402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.3808    3.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3660    1.2096    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
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  6  1  1  0  0  0  0
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 12 11  1  1  0  0  0
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 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
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 29 30  1  0  0  0  0
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 27 39  1  6  0  0  0
  7 40  1  0  0  0  0
M  END
>  <Mol_ID> (126)
1351

>  <Formula> (126)
C20H37N3O13

>  <MolWeight> (126)
527.52008

>  <Item Name> (126)
Hygromycin B

>  <Catalog Number> (126)
S2908

>  <Synonyms> (126)
N/A

>  <Target> (126)
Antifection

>  <Form> (126)
Free Base

>  <URL> (126)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (126)
31282-04-9

$$$$
G-418 sulphate.cdx
csChFnd80/10101813162D

 44 44  0  0  0  0  0  0  0  0999 V2000
    8.3875    9.7952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (127)
1372

>  <Formula> (127)
C20H44N4O18S2

>  <MolWeight> (127)
692.70936

>  <Item Name> (127)
Geneticin (G418 Sulfate)

>  <Catalog Number> (127)
S3028

>  <Synonyms> (127)
N/A

>  <Target> (127)
Antifection

>  <Form> (127)
Disulfate

>  <URL> (127)
http://www.selleckchem.com/products/geneticin-g418-sulfate.html

>  <CAS Number> (127)
108321-42-2

$$$$
Oxfendazole.cdx
csChFnd80/10101813162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    1.3951    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    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
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4248    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    2.7951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5175    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9126    4.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6102    5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    5.2116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  3  5  2  0  0  0  0
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  6  7  2  0  0  0  0
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  2 10  2  0  0  0  0
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 14  2  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (128)
1418

>  <Formula> (128)
C15H13N3O3S

>  <MolWeight> (128)
315.34702

>  <Item Name> (128)
Oxfendazole

>  <Catalog Number> (128)
S1830

>  <Synonyms> (128)
N/A

>  <Target> (128)
Antifection

>  <Form> (128)
Free Base

>  <URL> (128)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (128)
53716-50-0

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/10101813162D

 60 62  0  0  0  0  0  0  0  0999 V2000
    3.6459   10.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7121   11.2122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (129)
1422

>  <Formula> (129)
C43H75NO16

>  <MolWeight> (129)
862.0527

>  <Item Name> (129)
Erythromycin Ethylsuccinate

>  <Catalog Number> (129)
S4060

>  <Synonyms> (129)
N/A

>  <Target> (129)
Antifection

>  <Form> (129)
Free Base

>  <URL> (129)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (129)
1264-62-6

$$$$
Protionamide.cdx
csChFnd80/10101813162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 N   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
    6.0496    0.7000    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
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (130)
1428

>  <Formula> (130)
C9H12N2S

>  <MolWeight> (130)
180.26998

>  <Item Name> (130)
Protionamide (Prothionamide)

>  <Catalog Number> (130)
S1881

>  <Synonyms> (130)
N/A

>  <Target> (130)
Antifection

>  <Form> (130)
Free Base

>  <URL> (130)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (130)
14222-60-7

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/10101813162D

 17 18  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
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M  END
>  <Mol_ID> (131)
1430

>  <Formula> (131)
C9H10N4O2S2

>  <MolWeight> (131)
270.3313

>  <Item Name> (131)
Sulfamethizole (Proklar)

>  <Catalog Number> (131)
S1957

>  <Synonyms> (131)
Proklar

>  <Target> (131)
Antifection

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
144-82-1

$$$$
Sulbactam.cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (132)
1432

>  <Formula> (132)
C8H11NO5S

>  <MolWeight> (132)
233.24164

>  <Item Name> (132)
Sulbactam

>  <Catalog Number> (132)
S1958

>  <Synonyms> (132)
N/A

>  <Target> (132)
Antifection

>  <Form> (132)
Free Base

>  <URL> (132)
http://www.selleckchem.com/products/sulbactam.html

>  <CAS Number> (132)
68373-14-8

$$$$
Rimantadine.cdx
csChFnd80/10101813162D

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.9751    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (133)
1434

>  <Formula> (133)
C12H21N

>  <MolWeight> (133)
179.30184

>  <Item Name> (133)
Rimantadine (Flumadine)

>  <Catalog Number> (133)
S1964

>  <Synonyms> (133)
N/A

>  <Target> (133)
Antifection

>  <Form> (133)
Free Base

>  <URL> (133)
http://www.selleckchem.com/products/rimantadine-flumadine.html

>  <CAS Number> (133)
13392-28-4

$$$$
Sarafloxacin hydrochloride.cdx
csChFnd80/10101813162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (134)
1436

>  <Formula> (134)
C20H18ClF2N3O3

>  <MolWeight> (134)
421.8250264

>  <Item Name> (134)
Sarafloxacin HCl

>  <Catalog Number> (134)
S1977

>  <Synonyms> (134)
N/A

>  <Target> (134)
Antifection

>  <Form> (134)
Hydrochloride

>  <URL> (134)
http://www.selleckchem.com/products/sarafloxacin-hydrochloride.html

>  <CAS Number> (134)
91296-87-6

$$$$
Diclazuril.cdx
csChFnd80/10101813162D

 26 28  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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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
1437

>  <Formula> (135)
C17H9Cl3N4O2

>  <MolWeight> (135)
407.63796

>  <Item Name> (135)
Diclazuril

>  <Catalog Number> (135)
S2028

>  <Synonyms> (135)
N/A

>  <Target> (135)
Antifection

>  <Form> (135)
Free Base

>  <URL> (135)
http://www.selleckchem.com/products/diclazuril.html

>  <CAS Number> (135)
101831-37-2

$$$$
Fenticonazole nitrate.cdx
csChFnd80/10101813162D

 34 36  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.9270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 17  6  1  0  0  0  0
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 28  7  1  0  0  0  0
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M  END
>  <Mol_ID> (136)
1439

>  <Formula> (136)
C24H21Cl2N3O4S

>  <MolWeight> (136)
518.41224

>  <Item Name> (136)
Fenticonazole nitrate

>  <Catalog Number> (136)
S2031

>  <Synonyms> (136)
N/A

>  <Target> (136)
Antifection

>  <Form> (136)
Nitrate

>  <URL> (136)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (136)
73151-29-8

$$$$
Balofloxacin.cdx
csChFnd80/10101813162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (137)
1445

>  <Formula> (137)
C20H24FN3O4

>  <MolWeight> (137)
389.4206632

>  <Item Name> (137)
Balofloxacin

>  <Catalog Number> (137)
S2064

>  <Synonyms> (137)
N/A

>  <Target> (137)
Topoisomerase

>  <Form> (137)
Free Base

>  <URL> (137)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (137)
127294-70-6

$$$$
Arbidol hydrochloride.cdx
csChFnd80/10101813162D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (138)
1475

>  <Formula> (138)
C22H26BrClN2O3S

>  <MolWeight> (138)
513.87544

>  <Item Name> (138)
Arbidol HCl

>  <Catalog Number> (138)
S2120

>  <Synonyms> (138)
N/A

>  <Target> (138)
Antifection

>  <Form> (138)
Hydrochloride

>  <URL> (138)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (138)
131707-23-8

$$$$
Roxithromycin.cdx
csChFnd80/10101813162D

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
1483

>  <Formula> (139)
C41H76N2O15

>  <MolWeight> (139)
837.04654

>  <Item Name> (139)
Roxithromycin (Roxl-150)

>  <Catalog Number> (139)
S2506

>  <Synonyms> (139)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (139)
Antifection

>  <Form> (139)
Free Base

>  <URL> (139)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (139)
80214-83-1

$$$$
Tobramycin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (140)
1485

>  <Formula> (140)
C18H37N5O9

>  <MolWeight> (140)
467.51448

>  <Item Name> (140)
Tobramycin

>  <Catalog Number> (140)
S2514

>  <Synonyms> (140)
N/A

>  <Target> (140)
Antifection

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (140)
32986-56-4

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (141)
1487

>  <Formula> (141)
C66H76Cl3N9O24

>  <MolWeight> (141)
1485.71454

>  <Item Name> (141)
Vancomycin HCl (Vancocin)

>  <Catalog Number> (141)
S2575

>  <Synonyms> (141)
N/A

>  <Target> (141)
Antifection

>  <Form> (141)
HCl

>  <URL> (141)
http://www.selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

>  <CAS Number> (141)
1404-93-9 

$$$$
RELENZA (zanamivir).cdx
csChFnd80/10101813162D

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C12H20N4O7

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Zanamivir (Relenza)

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S3007

>  <Synonyms> (142)
139110-80-8

>  <Target> (142)
Antifection

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/zanamivir-relenza.html

>  <CAS Number> (142)
139110-80-8

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/10101813162D

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C25H35N3O6S

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505.6269

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Amprenavir (Agenerase)

>  <Catalog Number> (143)
S1639

>  <Synonyms> (143)
Agenerase

>  <Target> (143)
HIV Protease

>  <Form> (143)
Free Base

>  <URL> (143)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (143)
161814-49-9

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (144)
1506

>  <Formula> (144)
C11H11N3O2S

>  <MolWeight> (144)
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>  <Item Name> (144)
Sulfapyridine (Dagenan)

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S1617

>  <Synonyms> (144)
Coccoclase, Eubasin, Eubasinum, Haptocil

>  <Target> (144)
Antifection

>  <Form> (144)
Free Base

>  <URL> (144)
http://www.selleckchem.com/products/Sulfapyridine(Dagenan).html

>  <CAS Number> (144)
144-83-2

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (145)
1522

>  <Formula> (145)
C19H22F2N4O3

>  <MolWeight> (145)
392.3997864

>  <Item Name> (145)
Sparfloxacin

>  <Catalog Number> (145)
S1884

>  <Synonyms> (145)
N/A

>  <Target> (145)
Antifection

>  <Form> (145)
Free Base

>  <URL> (145)
http://www.selleckchem.com/products/sparfloxacin.html

>  <CAS Number> (145)
110871-86-8

$$$$
Tolnaftate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (146)
1523

>  <Formula> (146)
C19H17NOS

>  <MolWeight> (146)
307.40938

>  <Item Name> (146)
Tolnaftate

>  <Catalog Number> (146)
S2058

>  <Synonyms> (146)
N/A

>  <Target> (146)
Antifection

>  <Form> (146)
Free Base

>  <URL> (146)
http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (146)
2398-96-1

$$$$
netilmicin sulfate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (147)
1584

>  <Formula> (147)
C42H92N10O34S5

>  <MolWeight> (147)
1441.55148

>  <Item Name> (147)
Netilmicin Sulfate

>  <Catalog Number> (147)
S4052

>  <Synonyms> (147)
N/A

>  <Target> (147)
Antifection

>  <Form> (147)
Sulfate

>  <URL> (147)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (147)
7664-93-9

$$$$
retapamulin.cdx
csChFnd80/10101813162D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
1596

>  <Formula> (148)
C30H47NO4S

>  <MolWeight> (148)
517.76348

>  <Item Name> (148)
Retapamulin

>  <Catalog Number> (148)
S4056

>  <Synonyms> (148)
N/A

>  <Target> (148)
Antifection

>  <Form> (148)
Free Base

>  <URL> (148)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (148)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/10101813162D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
1597

>  <Formula> (149)
C6H8N4O4

>  <MolWeight> (149)
200.15212

>  <Item Name> (149)
Ronidazole

>  <Catalog Number> (149)
S4062

>  <Synonyms> (149)
N/A

>  <Target> (149)
Antifection

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (149)
7681-76-7

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/10101813162D

 32 34  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9916    5.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6216    5.1621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4445    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6216    7.4273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6570    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813    5.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711    4.2119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    7.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1175    9.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4237    9.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8563   10.3814    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    1.5545    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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  5 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 12  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  1  0  0  0
 19 27  1  1  0  0  0
 18 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (150)
1601

>  <Formula> (150)
C21H23N2NaO6S

>  <MolWeight> (150)
454.47189

>  <Item Name> (150)
Nafcillin Sodium

>  <Catalog Number> (150)
S4042

>  <Synonyms> (150)
N/A

>  <Target> (150)
Antifection

>  <Form> (150)
sodium Salt

>  <URL> (150)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (150)
7177-50-6

$$$$
olsalazine sodium.cdx
csChFnd80/10101813162D

 24 23  0  0  0  0  0  0  0  0999 V2000
    2.0951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    3.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    2.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3976    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    0.0627    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   11.8806    4.9040    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.4076    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.1056    4.9583    0.0000 Na  0  3  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
  3  7  1  0  0  0  0
  7  8  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (151)
1603

>  <Formula> (151)
C14H8N2Na2O6

>  <MolWeight> (151)
346.20266

>  <Item Name> (151)
Olsalazine Sodium

>  <Catalog Number> (151)
S4041

>  <Synonyms> (151)
N/A

>  <Target> (151)
Antifection

>  <Form> (151)
Disodium Salt

>  <URL> (151)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (151)
6054-98-4

$$$$
Toltrazuril.cdx
csChFnd80/10101813162D

 29 31  0  0  0  0  0  0  0  0999 V2000
    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 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
   12.1244    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
    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 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
    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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   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
  7  8  2  0  0  0  0
  9  2  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 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  8  1  0  0  0  0
  5 15  1  0  0  0  0
 12 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 25  1  0  0  0  0
 25 20  1  0  0  0  0
 23 26  2  0  0  0  0
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 22 28  1  0  0  0  0
 25 29  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (152)
1605

>  <Formula> (152)
C18H14F3N3O4S

>  <MolWeight> (152)
425.3816696

>  <Item Name> (152)
Toltrazuril

>  <Catalog Number> (152)
S4044

>  <Synonyms> (152)
N/A

>  <Target> (152)
Antifection

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (152)
69004-03-1

$$$$
Dicloxacillin sodium.cdx
csChFnd80/10101813162D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4364    5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328    7.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    7.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    7.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    5.1287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7501    1.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1485    1.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5845    2.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9562    1.9627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2632    2.4644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5465    1.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1307    3.1657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8345    3.7478    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0578    4.2203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3555    5.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9940    5.1404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0407    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6334    6.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    6.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4509    4.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0279    2.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2670    5.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6602    5.0816    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    7.2571    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
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  1  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 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 16  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  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
 21 24  1  1  0  0  0
 19 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 22 28  1  6  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (153)
1614

>  <Formula> (153)
C19H18Cl2N3NaO6S

>  <MolWeight> (153)
510.32349

>  <Item Name> (153)
Dicloxacillin Sodium

>  <Catalog Number> (153)
S4111

>  <Synonyms> (153)
Diclocil

>  <Target> (153)
Antifection

>  <Form> (153)
Sodium Salt

>  <URL> (153)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (153)
13412-64-1

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/10101813162D

 26 26  0  0  0  0  0  0  0  0999 V2000
   11.7965    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    2.3905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5841    3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    3.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    2.3905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    4.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592    3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592    4.4905    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3717    5.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    6.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9468    5.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    4.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5219    5.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    6.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    6.8739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6615    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2430    4.6211    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9368    5.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    4.0389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8103    3.2896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.4108    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  1  0  0  0  0
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  5  8  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (154)
1636

>  <Formula> (154)
C14H25ClN6O5

>  <MolWeight> (154)
392.8385

>  <Item Name> (154)
Valganciclovir Hydrochloride

>  <Catalog Number> (154)
S4050

>  <Synonyms> (154)
N/A

>  <Target> (154)
Antifection

>  <Form> (154)
Hydrochloride

>  <URL> (154)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (154)
175865-59-5

$$$$
tinidazole.cdx
csChFnd80/10101813162D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619    2.4680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361    3.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687    4.9361    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1381    5.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    5.9260    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7687    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619    2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2619    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    3.6805    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    5.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8743    5.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    2.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619    3.6805    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  1  2  0  0  0  0
  5  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (155)
1641

>  <Formula> (155)
C8H13N3O4S

>  <MolWeight> (155)
247.27152

>  <Item Name> (155)
Tinidazole

>  <Catalog Number> (155)
S4068

>  <Synonyms> (155)
N/A

>  <Target> (155)
Antifection

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (155)
19387-91-8

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/10101813162D

 16 13  0  0  0  0  0  0  0  0999 V2000
    2.4461    2.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6800    2.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    2.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    4.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8964    2.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    4.8266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1259    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424    2.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5589    2.0754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7710    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5589    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3469    5.7963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    5.7963    0.0000 Cl  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  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (156)
1645

>  <Formula> (156)
C10H26Cl2N2O2

>  <MolWeight> (156)
277.23164

>  <Item Name> (156)
Ethambutol HCl

>  <Catalog Number> (156)
S4004

>  <Synonyms> (156)
N/A

>  <Target> (156)
Antifection

>  <Form> (156)
Dihydrochloride

>  <URL> (156)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (156)
1070-11-7

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/10101813162D

 31 30  0  0  0  0  0  0  0  0999 V2000
    7.2652    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    3.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    6.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    6.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    1.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380    1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    3.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    6.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    6.1945    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    1.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    5.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    1.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    1.3734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9248    1.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5464    2.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999    9.6812    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  1  0  0  0  0
  4  9  2  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 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  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
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  2  0  0  0  0
M  END
>  <Mol_ID> (157)
1656

>  <Formula> (157)
C18H28FN3O8S

>  <MolWeight> (157)
465.4936232

>  <Item Name> (157)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (157)
S4119

>  <Synonyms> (157)
N/A

>  <Target> (157)
Topoisomerase

>  <Form> (157)
Mesylate

>  <URL> (157)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (157)
149676-40-4

$$$$
Sulconazle Nitrate.cdx
csChFnd80/10101813162D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.2085    9.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    9.3131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    8.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    7.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5297    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.8297    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.6992    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9117    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1241    0.0000    0.0000 O   0  5  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
  1  5  1  0  0  0  0
  6  7  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  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
  7  8  1  0  0  0  0
 17 18  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
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 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 16 17  1  0  0  0  0
 21 24  1  0  0  0  0
  7 16  1  0  0  0  0
  5  6  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1661

>  <Formula> (158)
C18H16Cl3N3O3S

>  <MolWeight> (158)
460.76194

>  <Item Name> (158)
Sulconazole Nitrate

>  <Catalog Number> (158)
S4120

>  <Synonyms> (158)
N/A

>  <Target> (158)
Antifection

>  <Form> (158)
Nitrate

>  <URL> (158)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (158)
82382-23-8

$$$$
Tilmicosin.cdx
csChFnd80/10101813162D

 61 64  0  0  0  0  0  0  0  0999 V2000
    7.6764    4.9545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1398    6.3078    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7743    3.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9621    7.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (159)
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>  <Formula> (159)
C46H80N2O13

>  <MolWeight> (159)
869.133

>  <Item Name> (159)
Tilmicosin

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S4122

>  <Synonyms> (159)
N/A

>  <Target> (159)
Antifection

>  <Form> (159)
Free Base

>  <URL> (159)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (159)
108050-54-0

$$$$
Ampicillin trihydrate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (160)
1690

>  <Formula> (160)
C16H25N3O7S

>  <MolWeight> (160)
403.4506

>  <Item Name> (160)
Ampicillin Trihydrate

>  <Catalog Number> (160)
S4148

>  <Synonyms> (160)
N/A

>  <Target> (160)
Antifection

>  <Form> (160)
Free Base

>  <URL> (160)
http://www.selleckchem.com/products/ampicillin-trihydrate.html

>  <CAS Number> (160)
7177-48-2 

$$$$
Azithromycin dihydrate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (161)
1694

>  <Formula> (161)
C38H76N2O14

>  <MolWeight> (161)
785.01504

>  <Item Name> (161)
Azithromycin Dihydrate

>  <Catalog Number> (161)
S4147

>  <Synonyms> (161)
N/A

>  <Target> (161)
Antifection

>  <Form> (161)
Free Base

>  <URL> (161)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

>  <CAS Number> (161)
117772-70-0

$$$$
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csChFnd80/10101813162D

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1695

>  <Formula> (162)
C65H101N17O16S

>  <MolWeight> (162)
1408.66674

>  <Item Name> (162)
Bacitracin

>  <Catalog Number> (162)
S4146

>  <Synonyms> (162)
N/A

>  <Target> (162)
Antifection

>  <Form> (162)
Free Base

>  <URL> (162)
http://www.selleckchem.com/products/bacitracin.html

>  <CAS Number> (162)
1405-87-4

$$$$
Dinitolmide.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (163)
1699

>  <Formula> (163)
C8H7N3O5

>  <MolWeight> (163)
225.15828

>  <Item Name> (163)
Dinitolmide (Zoalene)

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S4141

>  <Synonyms> (163)
N/A

>  <Target> (163)
Antifection

>  <Form> (163)
Free Base

>  <URL> (163)
http://www.selleckchem.com/products/dinitolmide-zoalene.html

>  <CAS Number> (163)
148-01-6

$$$$
Betamipron.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (164)
1710

>  <Formula> (164)
C10H11NO3

>  <MolWeight> (164)
193.19924

>  <Item Name> (164)
Betamipron

>  <Catalog Number> (164)
S4191

>  <Synonyms> (164)
N/A

>  <Target> (164)
Antifection

>  <Form> (164)
Free Base

>  <URL> (164)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (164)
3440-28-6

$$$$
Ceftriaxone sodium trihydrate.cdx
csChFnd80/10101813162D

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   15.4772    7.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4772    5.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    1.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331    2.4494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    6.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8772    7.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7772    8.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8772    5.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706    0.3077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238    1.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    7.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5772    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5772    3.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9772    6.2987    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.2925    0.3646    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   20.1363    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.8863    0.0000    0.0000 R   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
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  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
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  1  0  0  0  0
 27 33  2  0  0  0  0
 29 34  2  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 35  1  0  0  0  0
 33 36  1  0  0  0  0
A   39
3.5H2O
M  END
>  <Mol_ID> (165)
1712

>  <Formula> (165)
C18H16N8Na2O7RS3

>  <MolWeight> (165)
598.54358

>  <Item Name> (165)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (165)
S4158

>  <Synonyms> (165)
N/A

>  <Target> (165)
Antifection

>  <Form> (165)
Free Base

>  <URL> (165)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (165)
104376-79-6

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/10101813162D

 23 22  0  0  0  0  0  0  0  0999 V2000
    2.4179    2.1744    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2349    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4437    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8313    2.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0494    2.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4728    2.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8974    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    2.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6848    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4724    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2599    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853    4.1464    0.0000 Cl  0  5  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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  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 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 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (166)
1713

>  <Formula> (166)
C21H38ClN

>  <MolWeight> (166)
339.98612

>  <Item Name> (166)
Cetylpyridinium Chloride

>  <Catalog Number> (166)
S4172

>  <Synonyms> (166)
N/A

>  <Target> (166)
Antifection

>  <Form> (166)
Chloride

>  <URL> (166)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (166)
123-03-5

$$$$
Chlorquinaldol.cdx
csChFnd80/10101813162D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 N   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
    1.2124    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
    3.6373    3.5000    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
    6.0622    3.5000    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    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 Cl  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  7  2  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
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
  8 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (167)
1716

>  <Formula> (167)
C10H7Cl2NO

>  <MolWeight> (167)
228.07468

>  <Item Name> (167)
Chlorquinaldol

>  <Catalog Number> (167)
S4192

>  <Synonyms> (167)
N/A

>  <Target> (167)
Antifection

>  <Form> (167)
Free Base

>  <URL> (167)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (167)
72-80-0

$$$$
Chlortetracycline HCl.cdx
csChFnd80/10101813162D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.2888    5.8848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2888    4.4798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5023    6.5653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0863    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    3.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7155    5.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    7.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    5.8848    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8709    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9279    6.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    8.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9306    3.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510    7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606    7.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6558    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435    4.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    2.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    7.9653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    7.2848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5522    0.0000    0.0000 Cl  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 34  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  6  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
  6 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 13  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 13 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  6  0  0  0
 18 23  1  1  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  1  0  0  0  0
 21 24  2  0  0  0  0
 24 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (168)
1717

>  <Formula> (168)
C22H24Cl2N2O8

>  <MolWeight> (168)
515.34056

>  <Item Name> (168)
Chlortetracycline HCl

>  <Catalog Number> (168)
S4156

>  <Synonyms> (168)
N/A

>  <Target> (168)
Antifection

>  <Form> (168)
Hydrochloride

>  <URL> (168)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (168)
64-72-2

$$$$
Climbazole.cdx
csChFnd80/10101813162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.3106    3.6339    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7099    3.6339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    4.8469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6117    2.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5240    4.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    4.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    1.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    2.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    4.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078    6.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    2.1113    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  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  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  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
 10 11  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
 16 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (169)
1722

>  <Formula> (169)
C15H17ClN2O2

>  <MolWeight> (169)
292.76068

>  <Item Name> (169)
Climbazole

>  <Catalog Number> (169)
S4178

>  <Synonyms> (169)
N/A

>  <Target> (169)
Antifection

>  <Form> (169)
Free Base

>  <URL> (169)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (169)
38083-17-9

$$$$
Closantel sodium.cdx
csChFnd80/10101813162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    9.7040    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    6.3073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7040    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    7.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    3.5070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2797    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    9.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2797    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0676    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5593    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0676    3.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5593    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7716    3.5070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    5.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    1.4067    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2073    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    1.4639    0.0000 Na  0  3  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  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  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
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 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (170)
1726

>  <Formula> (170)
C22H13Cl2I2N2NaO2

>  <MolWeight> (170)
685.05553

>  <Item Name> (170)
Closantel Sodium

>  <Catalog Number> (170)
S4105

>  <Synonyms> (170)
N/A

>  <Target> (170)
Antifection

>  <Form> (170)
Sodium Salt

>  <URL> (170)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (170)
61438-64-0

$$$$
Cyromazine.cdx
csChFnd80/10101813162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.3958    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3958    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <Mol_ID> (171)
1729

>  <Formula> (171)
C6H10N6

>  <MolWeight> (171)
166.1838

>  <Item Name> (171)
Cyromazine

>  <Catalog Number> (171)
S4167

>  <Synonyms> (171)
N/A

>  <Target> (171)
Antifection

>  <Form> (171)
Free base

>  <URL> (171)
http://www.selleckchem.com/products/cyromazine.html

>  <CAS Number> (171)
66215-27-8

$$$$
Mezlocillin sodium.cdx
csChFnd80/10101813162D

 38 40  0  0  0  0  0  0  0  0999 V2000
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    2.8524    7.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2499    6.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8173    8.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7723    9.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184    6.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    9.0725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9493    5.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    4.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3493    5.7786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    7.7935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   10.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0473    4.5697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4499    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    3.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    3.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9548    0.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0581    2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1514    5.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1472    3.3618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5505    3.3618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5449    2.3764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5356    3.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398    4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398    5.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1846    1.1268    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5618    1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7819    2.7941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4148    1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9934    3.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6715    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9598    1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2048    2.7941    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.9934    4.8923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1729    3.1432    0.0000 Na  0  3  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  1  1  0  0  0  0
  2  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  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
 15 22  2  0  0  0  0
 15 23  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 24  1  0  0  0  0
 27 28  2  0  0  0  0
 25 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
 24 23  1  1  0  0  0
 25 32  1  6  0  0  0
 31 33  1  6  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (172)
1737

>  <Formula> (172)
C21H24N5NaO8S2

>  <MolWeight> (172)
561.56373

>  <Item Name> (172)
Mezlocillin Sodium

>  <Catalog Number> (172)
S4179

>  <Synonyms> (172)
N/A

>  <Target> (172)
Antifection

>  <Form> (172)
Sodium Salt

>  <URL> (172)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (172)
42057-22-7

$$$$
Penciclovir.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2151    7.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    5.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308    5.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308    7.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    7.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9657    5.3074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7942    6.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9770    7.5726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    9.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917    3.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7597    3.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1857    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5380    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5581    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9003    0.6276    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  2  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  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  2  0  0  0  0
  2 11  1  0  0  0  0
  7 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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1740

>  <Formula> (173)
C10H15N5O3

>  <MolWeight> (173)
253.2578

>  <Item Name> (173)
Penciclovir

>  <Catalog Number> (173)
S4184

>  <Synonyms> (173)
N/A

>  <Target> (173)
Antifection

>  <Form> (173)
Free Base

>  <URL> (173)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (173)
39809-25-1

$$$$
Sulfaguanidine.cdx
csChFnd80/10101813162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.4000    4.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6089    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160    3.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6251    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    9.1089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    7.0089    0.0000 N   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  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (174)
1747

>  <Formula> (174)
C7H10N4O2S

>  <MolWeight> (174)
214.2449

>  <Item Name> (174)
Sulfaguanidine

>  <Catalog Number> (174)
S4175

>  <Synonyms> (174)
N/A

>  <Target> (174)
Antifection

>  <Form> (174)
Free Base

>  <URL> (174)
http://www.selleckchem.com/products/sulfaguanidine.html

>  <CAS Number> (174)
57-67-0

$$$$
Primaquine diphosphate.cdx
csChFnd80/10101813162D

 29 28  0  0  0  0  0  0  0  0999 V2000
    4.8287    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    3.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    7.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    9.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.7198    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6247    3.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (175)
1762

>  <Formula> (175)
C15H27N3O9P2

>  <MolWeight> (175)
455.337102

>  <Item Name> (175)
Primaquine Diphosphate

>  <Catalog Number> (175)
S4237

>  <Synonyms> (175)
N/A

>  <Target> (175)
Antifection

>  <Form> (175)
Diphosphate

>  <URL> (175)
http://www.selleckchem.com/products/primaquine-diphosphate.html

>  <CAS Number> (175)
63-45-6

$$$$
Aminothiazole.cdx
csChFnd80/10101813162D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (176)
1765

>  <Formula> (176)
C3H4N2S

>  <MolWeight> (176)
100.14226

>  <Item Name> (176)
Aminothiazole

>  <Catalog Number> (176)
S4198

>  <Synonyms> (176)
N/A

>  <Target> (176)
Antifection

>  <Form> (176)
Free Base

>  <URL> (176)
http://www.selleckchem.com/products/aminothiazole.html

>  <CAS Number> (176)
96-50-4

$$$$
Broxyquinoline.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (177)
1770

>  <Formula> (177)
C9H5Br2NO

>  <MolWeight> (177)
302.9501

>  <Item Name> (177)
Broxyquinoline

>  <Catalog Number> (177)
S4195

>  <Synonyms> (177)
N/A

>  <Target> (177)
Antifection

>  <Form> (177)
Free Base

>  <URL> (177)
http://www.selleckchem.com/products/broxyquinoline.html

>  <CAS Number> (177)
521-74-4

$$$$
>  <Mol_ID> (178)
1771

>  <Item Name> (178)
Capreomycin Sulfate

>  <Catalog Number> (178)
S4234

>  <Synonyms> (178)
N/A

>  <Target> (178)
Antifection

>  <Form> (178)
Sulfate

>  <URL> (178)
http://www.selleckchem.com/products/capreomycin-sulfate.html

>  <CAS Number> (178)
1405-37-4

$$$$
dirithromycin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (179)
1774

>  <Formula> (179)
C42H78N2O14

>  <MolWeight> (179)
835.07372

>  <Item Name> (179)
Dirithromycin

>  <Catalog Number> (179)
S4213

>  <Synonyms> (179)
N/A

>  <Target> (179)
Antifection

>  <Form> (179)
Free Base

>  <URL> (179)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (179)
62013-04-1

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/10101813162D

 26 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (180)
1778

>  <Formula> (180)
C18H23N3O5

>  <MolWeight> (180)
361.39232

>  <Item Name> (180)
Ethacridine lactate monohydrate

>  <Catalog Number> (180)
S4196

>  <Synonyms> (180)
N/A

>  <Target> (180)
Antifection

>  <Form> (180)
Lactate

>  <URL> (180)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (180)
6402-23-9

$$$$
Florfenicol.cdx
csChFnd80/10101813162D

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    3.6415    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4173    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
  1  7  1  0  0  0  0
  4  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  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  1  0  0  0
  8 18  1  6  0  0  0
  7 19  1  0  0  0  0
  7 20  2  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (181)
1779

>  <Formula> (181)
C12H14Cl2FNO4S

>  <MolWeight> (181)
358.2132632

>  <Item Name> (181)
Florfenicol

>  <Catalog Number> (181)
S4201

>  <Synonyms> (181)
N/A

>  <Target> (181)
Antifection

>  <Form> (181)
Free Base

>  <URL> (181)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (181)
73231-34-2

$$$$
Furaltadone HCl.cdx
csChFnd80/10101813162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.9579    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5670    1.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9364    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996    3.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0239    2.6328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5069    3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819    4.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8846    3.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1237    3.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8867    5.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    5.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3749    3.2355    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.4664    1.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5390    4.0132    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1973    4.1319    0.0000 Cl  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
  3  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  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  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (182)
1780

>  <Formula> (182)
C13H17ClN4O6

>  <MolWeight> (182)
360.75028

>  <Item Name> (182)
Furaltadone HCl

>  <Catalog Number> (182)
S4203

>  <Synonyms> (182)
N/A

>  <Target> (182)
Antifection

>  <Form> (182)
Hydrochloride

>  <URL> (182)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (182)
3759-92-0

$$$$
Paromomycin Sulfate.cdx
csChFnd80/10101813162D

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.4298   11.5580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4313   10.1531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6487    9.4520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8643   10.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8653   11.5602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   12.2617    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6454   13.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2188    9.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2173   12.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5758   10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4350    9.4243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8698    7.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321    7.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4158    6.4735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7015    5.0775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0677    4.9172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6720    6.1965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6490    7.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    6.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7115    4.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7676    3.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0466    6.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5040    7.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1568    3.7048    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8905    2.2950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9519    1.3746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2797    1.8337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5460    3.2131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4860    4.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8687    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9411    2.7720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3374    0.9165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5673    1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9395    5.0574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    2.7646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134    1.5522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5134    3.9770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0640    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
  6  7  1  1  0  0  0
  2  8  1  1  0  0  0
  1  9  1  6  0  0  0
  3 10  1  6  0  0  0
  4 11  1  6  0  0  0
  7 12  1  0  0  0  0
 11 13  1  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
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 18 13  1  0  0  0  0
 13 19  1  1  0  0  0
 18 20  1  1  0  0  0
 16 21  1  1  0  0  0
 14 22  1  1  0  0  0
 15 23  1  6  0  0  0
 22 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 24  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 26 31  1  1  0  0  0
 27 32  1  6  0  0  0
 32 33  1  0  0  0  0
 31 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 39  1  0  0  0  0
 39 34  1  0  0  0  0
 38 40  1  1  0  0  0
 40 41  1  0  0  0  0
 37 42  1  1  0  0  0
 35 43  1  1  0  0  0
 36 44  1  6  0  0  0
 34 45  1  6  0  0  0
 46 47  2  0  0  0  0
 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  0  0  0  0
M  END
>  <Mol_ID> (183)
1784

>  <Formula> (183)
C23H47N5O18S

>  <MolWeight> (183)
713.70698

>  <Item Name> (183)
Paromomycin Sulfate

>  <Catalog Number> (183)
S4183

>  <Synonyms> (183)
N/A

>  <Target> (183)
Antifection

>  <Form> (183)
Sulfate

>  <URL> (183)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (183)
1263-89-4

$$$$

csChFnd80/10101813162D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    8.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.3462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1290    6.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5290    6.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.9290    6.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5290    8.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5290    5.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6077    0.0024    0.0000 N   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  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
  8 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  9  1  0  0  0  0
  2 15  1  0  0  0  0
 12 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  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 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 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
 29 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
 23 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (184)
1786

>  <Formula> (184)
C26H24N6O4S

>  <MolWeight> (184)
516.57156

>  <Item Name> (184)
Proflavine Hemisulfate

>  <Catalog Number> (184)
S4236

>  <Synonyms> (184)
N/A

>  <Target> (184)
Antifection

>  <Form> (184)
Sulfate

>  <URL> (184)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (184)
1811-28-5

$$$$
Valnemulin HCl.cdx
csChFnd80/10101813162D

 41 42  0  0  0  0  0  0  0  0999 V2000
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    6.2536    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1619    5.6785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1619    4.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261    6.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5668    3.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8913    0.6624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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 11  2  1  0  0  0  0
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  3 13  1  6  0  0  0
  7 14  1  6  0  0  0
  8 15  1  6  0  0  0
 14 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 24  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  1  0  0  0
  4 32  1  1  0  0  0
  5 33  1  1  0  0  0
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 33 35  2  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  1  1  0  0  0
  2 39  1  1  0  0  0
 39 37  1  0  0  0  0
  1 40  1  6  0  0  0
M  END
>  <Mol_ID> (185)
1791

>  <Formula> (185)
C31H53ClN2O5S

>  <MolWeight> (185)
601.28092

>  <Item Name> (185)
Valnemulin HCl

>  <Catalog Number> (185)
S4216

>  <Synonyms> (185)
N/A

>  <Target> (185)
Antifection

>  <Form> (185)
Hydrochloride

>  <URL> (185)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (185)
133868-46-9

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/10101813162D

 32 24  0  0  0  0  0  0  0  0999 V2000
    8.5664    2.9021    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7788    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7788    4.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1953    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    2.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5476    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5341    4.2263    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.9086    1.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    0.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5917    5.6146    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
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    3.7683    5.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3476    2.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624    2.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9707    2.2986    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9123    0.9439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    3.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.7986    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 26 28  1  0  0  0  0
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 21 30  1  0  0  0  0
 30 23  1  0  0  0  0
 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (186)
1794

>  <Formula> (186)
C12H10BiK5O14+2

>  <MolWeight> (186)
782.67128

>  <Item Name> (186)
Bismuth Subcitrate Potassium

>  <Catalog Number> (186)
S4093

>  <Synonyms> (186)
N/A

>  <Target> (186)
Antifection

>  <Form> (186)
Potassium salt

>  <URL> (186)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (186)
880149-29-1

$$$$
cetrimonium bromide.cdx
csChFnd80/10101813162D

 21 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9162    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1908    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    1.0725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   20.6156    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3031    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2378    0.3529    0.0000 Br  0  5  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  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 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 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (187)
1796

>  <Formula> (187)
C19H42BrN

>  <MolWeight> (187)
364.44748

>  <Item Name> (187)
Cetrimonium Bromide

>  <Catalog Number> (187)
S4242

>  <Synonyms> (187)
N/A

>  <Target> (187)
Antifection

>  <Form> (187)
Free Base

>  <URL> (187)
http://www.selleckchem.com/products/cetrimonium-bromide.html

>  <CAS Number> (187)
57-09-0

$$$$
Colistin sulfate.cdx
csChFnd80/10101813162D

187182  0  0  0  0  0  0  0  0999 V2000
   18.8613   24.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0661   21.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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187158  1  0  0  0  0
M  END
>  <Mol_ID> (188)
1798

>  <Formula> (188)
C104H206N32O46S5

>  <MolWeight> (188)
2801.26024

>  <Item Name> (188)
Colistin Sulfate

>  <Catalog Number> (188)
S4029

>  <Synonyms> (188)
N/A

>  <Target> (188)
Antifection

>  <Form> (188)
Sulfate

>  <URL> (188)
http://www.selleckchem.com/products/colistin-sulfate.html

>  <CAS Number> (188)
1264-72-8

$$$$
Ribostamycin Sulfate.cdx
csChFnd80/10101813162D

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   16.6963    4.0756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
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 23  7  1  1  0  0  0
 25 28  1  1  0  0  0
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 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (189)
1825

>  <Formula> (189)
C17H36N4O14S

>  <MolWeight> (189)
552.55114

>  <Item Name> (189)
Ribostamycin Sulfate

>  <Catalog Number> (189)
S4215

>  <Synonyms> (189)
N/A

>  <Target> (189)
Antifection

>  <Form> (189)
Sulfate

>  <URL> (189)
http://www.selleckchem.com/products/ribostamycin-sulfate.html

>  <CAS Number> (189)
53797-35-6

$$$$
tetramisole hydrochloride.cdx
csChFnd80/10101813162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8230    1.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    3.4131    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545    2.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    3.4131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088    2.2805    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7088    2.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4088    3.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    3.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    2.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4088    1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    1.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545    1.5805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5697    0.0000    0.0000 Cl  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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (190)
1829

>  <Formula> (190)
C11H13ClN2S

>  <MolWeight> (190)
240.75232

>  <Item Name> (190)
Tetramisole HCl

>  <Catalog Number> (190)
S4094

>  <Synonyms> (190)
N/A

>  <Target> (190)
Antifection

>  <Form> (190)
Hydrochloride

>  <URL> (190)
http://www.selleckchem.com/products/tetramisole-hcl.html

>  <CAS Number> (190)
5086-74-8, 5036-02-2(free base)

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/10101813162D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.1553    8.8185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    7.4169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4321    9.3350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7934    8.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8010   10.6970    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
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  3  8  1  1  0  0  0
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  4  5  1  0  0  0  0
  5 10  1  6  0  0  0
  6  7  1  0  0  0  0
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 10 15  1  0  0  0  0
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 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (191)
1840

>  <Formula> (191)
C16H17N2NaO4S

>  <MolWeight> (191)
356.37195

>  <Item Name> (191)
Penicillin G Sodium

>  <Catalog Number> (191)
S4160

>  <Synonyms> (191)
N/A

>  <Target> (191)
Antifection

>  <Form> (191)
Sodium Salt

>  <URL> (191)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (191)
69-57-8

$$$$
S4971 Buparvaquone.cdx
csChFnd80/10101813162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4229    3.4906    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
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  3  8  2  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
  7 13  1  0  0  0  0
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  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  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
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (192)
1843

>  <Formula> (192)
C21H26O3

>  <MolWeight> (192)
326.42934

>  <Item Name> (192)
Buparvaquone

>  <Catalog Number> (192)
S4971

>  <Synonyms> (192)
Butalex

>  <Target> (192)
Anti-infection

>  <Form> (192)
free base

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

>  <CAS Number> (192)
88426-33-9

$$$$
Minocycline hydrochloride.cdx
csChFnd80/10101813162D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2501    3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0757    4.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0370    1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938    0.0338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    6.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0097    6.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2645    4.8721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (193)
1855

>  <Formula> (193)
C23H28ClN3O7

>  <MolWeight> (193)
493.93732

>  <Item Name> (193)
Minocycline HCl

>  <Catalog Number> (193)
S4226

>  <Synonyms> (193)
N/A

>  <Target> (193)
Antifectio

>  <Form> (193)
Hydrochloride

>  <URL> (193)
http://www.selleckchem.com/products/minocycline-hcl.html

>  <CAS Number> (193)
13614-98-7

$$$$
Nithiamide.cdx
csChFnd80/10101813162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.4861    2.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3065    1.7395    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0843    2.8018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6377    2.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4120    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7908    1.3967    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6942    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1381    0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5681    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
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  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (194)
1857

>  <Formula> (194)
C5H5N3O3S

>  <MolWeight> (194)
187.1765

>  <Item Name> (194)
Nithiamide

>  <Catalog Number> (194)
S4232

>  <Synonyms> (194)
N/A

>  <Target> (194)
Antifection

>  <Form> (194)
Free Base

>  <URL> (194)
http://www.selleckchem.com/products/nithiamide.html

>  <CAS Number> (194)
140-40-9

$$$$
Piperacillin Sodium.cdx
csChFnd80/10101813162D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6817    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6817    3.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0624    5.0161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    2.7366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2498    3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    5.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8779    3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2481    2.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    4.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8024    2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8924    4.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  2  0  0  0  0
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 18 20  2  0  0  0  0
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 22 25  1  0  0  0  0
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 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (195)
1863

>  <Formula> (195)
C23H26N5NaO7S

>  <MolWeight> (195)
539.53661

>  <Item Name> (195)
Piperacillin Sodium

>  <Catalog Number> (195)
S4222

>  <Synonyms> (195)
N/A

>  <Target> (195)
Antifection

>  <Form> (195)
Sodium Salt

>  <URL> (195)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (195)
59703-84-3

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    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    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    0.0000    0.0000 N   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  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  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
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 17 18  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (196)
1874

>  <Formula> (196)
C11H12N4O3S

>  <MolWeight> (196)
280.30298

>  <Item Name> (196)
Sulfamethoxypyridazine

>  <Catalog Number> (196)
S4250

>  <Synonyms> (196)
N/A

>  <Target> (196)
Antifection

>  <Form> (196)
Free Base

>  <URL> (196)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (196)
80-35-3

$$$$
Apramycin Sulfate.cdx
csChFnd80/10101813162D

 44 46  0  0  0  0  0  0  0  0999 V2000
    8.5918    6.7857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5918    8.1638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3767    6.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8069    6.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3767    8.8592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.1488    6.7857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0160    6.7857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1488    8.1638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3767   10.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0160    8.1638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4169    5.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1596    5.6493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1845    5.8793    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9397   10.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5681    9.0469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (197)
1878

>  <Formula> (197)
C21H43N5O15S

>  <MolWeight> (197)
637.65562

>  <Item Name> (197)
Apramycin Sulfate

>  <Catalog Number> (197)
S4254

>  <Synonyms> (197)
N/A

>  <Target> (197)
Antifection

>  <Form> (197)
Sulfate

>  <URL> (197)
http://www.selleckchem.com/products/apramycin-sulfate.html

>  <CAS Number> (197)
65710-07-8

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (198)
1887

>  <Formula> (198)
C16H17N3O4S

>  <MolWeight> (198)
347.38888

>  <Item Name> (198)
Cephalexin (Cefalexin)

>  <Catalog Number> (198)
S1502

>  <Synonyms> (198)
Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

>  <Target> (198)
Antifection

>  <Form> (198)
Free Base

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

>  <CAS Number> (198)
15686-71-2

$$$$
Aloe-emodin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (199)
1890

>  <Formula> (199)
C15H10O5

>  <MolWeight> (199)
270.2369

>  <Item Name> (199)
Aloe-emodin

>  <Catalog Number> (199)
S2259

>  <Synonyms> (199)
N/A

>  <Target> (199)
Antifection

>  <Form> (199)
Free Base

>  <URL> (199)
http://www.selleckchem.com/products/Aloe-emodin.html

>  <CAS Number> (199)
481-72-1

$$$$
Emtricitabine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (200)
2053

>  <Formula> (200)
C8H10FN3O3S

>  <MolWeight> (200)
247.2467032

>  <Item Name> (200)
Emtricitabine

>  <Catalog Number> (200)
S1704

>  <Synonyms> (200)
Atripla

>  <Target> (200)
Reverse Transcriptase

>  <Form> (200)
Free Base

>  <URL> (200)
http://www.selleckchem.com/products/Emtricitabine.html

>  <CAS Number> (200)
143491-57-0

$$$$
Idoxuridine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (201)
2054

>  <Formula> (201)
C9H11IN2O5

>  <MolWeight> (201)
354.09851

>  <Item Name> (201)
Idoxuridin

>  <Catalog Number> (201)
S1883

>  <Synonyms> (201)
N/A

>  <Target> (201)
Antifection

>  <Form> (201)
Free Base

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

>  <CAS Number> (201)
54-42-2

$$$$
Rifabutin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (202)
2059

>  <Formula> (202)
C46H62N4O11

>  <MolWeight> (202)
847.00468

>  <Item Name> (202)
Rifabutin

>  <Catalog Number> (202)
S1741

>  <Synonyms> (202)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (202)
Antifection

>  <Form> (202)
Free Base

>  <URL> (202)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (202)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/10101813162D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (203)
2060

>  <Formula> (203)
C43H58N4O12

>  <MolWeight> (203)
822.94022

>  <Item Name> (203)
Rifampin

>  <Catalog Number> (203)
S1764

>  <Synonyms> (203)
Rifampicin

>  <Target> (203)
DNA/RNA Synthesis

>  <Form> (203)
Free Base

>  <URL> (203)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (203)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/10101813162D

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 57 58  1  0  0  0  0
M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (204)
2061

>  <Formula> (204)
C47H64N4O12

>  <MolWeight> (204)
877.03066

>  <Item Name> (204)
Rifapentine

>  <Catalog Number> (204)
S1760

>  <Synonyms> (204)
Cyclopentylrifampicin

>  <Target> (204)
DNA/RNA Synthesis

>  <Form> (204)
Free Base

>  <URL> (204)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (204)
61379-65-5

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/10101813162D

 36 38  0  0  0  0  0  0  0  0999 V2000
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   12.1238    5.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6202    1.8674    0.0000 F   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
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  1  6  1  1  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  6  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
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 10 19  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  2 25  1  6  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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M  END
>  <Mol_ID> (205)
2070

>  <Formula> (205)
C22H29FN3O9P

>  <MolWeight> (205)
529.4525242

>  <Item Name> (205)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (205)
S2794

>  <Synonyms> (205)
N/A

>  <Target> (205)
DNA/RNA Synthesis

>  <Form> (205)
Free Base

>  <URL> (205)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (205)
1190307-88-0

$$$$
Luliconazole.cdx
csChFnd80/10101813162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6009    4.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134    3.7486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3931    3.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6123    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1854    4.3041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9964    2.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    4.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    2.3538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    6.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0699    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3300    2.0393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.5585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (206)
2075

>  <Formula> (206)
C14H9Cl2N3S2

>  <MolWeight> (206)
354.27736

>  <Item Name> (206)
Luliconazole

>  <Catalog Number> (206)
S4258 

>  <Synonyms> (206)
N/A

>  <Target> (206)
Antifection

>  <Form> (206)
Free Base

>  <URL> (206)
http://www.selleckchem.com/products/luliconazole.html

>  <CAS Number> (206)
187164-19-8

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/10101813162D

 51 55  0  0  0  0  0  0  0  0999 V2000
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 39 40  2  0  0  0  0
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 42 37  1  0  0  0  0
 33 43  1  6  0  0  0
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M  END
>  <Mol_ID> (207)
2086

>  <Formula> (207)
C36H53N7O6

>  <MolWeight> (207)
679.84932

>  <Item Name> (207)
Telaprevir (VX-950)

>  <Catalog Number> (207)
S1538

>  <Synonyms> (207)
LY-570310, MP-424

>  <Target> (207)
HCV Protease

>  <Form> (207)
Free Base

>  <URL> (207)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (207)
402957-28-2

$$$$
Ascomycin (FK 520, FR 900520, Immunomycin).cdx
csChFnd80/10101813162D

 58 61  0  0  0  0  0  0  0  0999 V2000
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   10.6154    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (208)
2196

>  <Formula> (208)
C43H69NO12

>  <MolWeight> (208)
792.00746

>  <Item Name> (208)
Ascomycin (FK520)

>  <Catalog Number> (208)
S7411

>  <Synonyms> (208)
FR 900520, Immunomycin

>  <Target> (208)
Antifection

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/ascomycin-fk520.html

>  <CAS Number> (208)
104987-12-4

$$$$
Z-FA-FMK.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (209)
2204

>  <Formula> (209)
C21H23FN2O4

>  <MolWeight> (209)
386.4167232

>  <Item Name> (209)
Z-FA-FMK

>  <Catalog Number> (209)
S7391

>  <Synonyms> (209)
N/A

>  <Target> (209)
Cysteine Protease

>  <Form> (209)
Free Base

>  <URL> (209)
http://www.selleckchem.com/products/z-fa-fmk.html

>  <CAS Number> (209)
197855-65-5

$$$$
SC75741.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (210)
2215

>  <Formula> (210)
C29H23N7O2S2

>  <MolWeight> (210)
565.66862

>  <Item Name> (210)
SC75741

>  <Catalog Number> (210)
S7273

>  <Synonyms> (210)
N/A

>  <Target> (210)
NF-¦ÊB

>  <Form> (210)
Free Base

>  <URL> (210)
http://www.selleckchem.com/products/sc75741.html

>  <CAS Number> (210)
913822-46-5

$$$$
AEBSF hydrochloride .cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (211)
2239

>  <Formula> (211)
C8H11ClFNO2S

>  <MolWeight> (211)
239.6948432

>  <Item Name> (211)
AEBSF HCl

>  <Catalog Number> (211)
S7378

>  <Synonyms> (211)
N/A

>  <Target> (211)
Serine Protease

>  <Form> (211)
Hydrochloride

>  <URL> (211)
http://www.selleckchem.com/products/aebsf-hcl.html

>  <CAS Number> (211)
30827-99-7

$$$$
Puromycin dihydrochloride.cdx
csChFnd80/10101813162D

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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (212)
2250

>  <Formula> (212)
C22H31Cl2N7O5

>  <MolWeight> (212)
544.43144

>  <Item Name> (212)
Puromycin 2HCl

>  <Catalog Number> (212)
S7417

>  <Synonyms> (212)
N/A

>  <Target> (212)
Antifection

>  <Form> (212)
Dihydrochloride

>  <URL> (212)
http://www.selleckchem.com/products/Puromycin-2HCl.html

>  <CAS Number> (212)
58-58-2

$$$$
Nelfinavir mesylate .cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (213)
2264

>  <Formula> (213)
C33H49N3O7S2

>  <MolWeight> (213)
663.88806

>  <Item Name> (213)
Nelfinavir Mesylate

>  <Catalog Number> (213)
S4282

>  <Synonyms> (213)
N/A

>  <Target> (213)
HIV Protease

>  <Form> (213)
Mesylate

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

>  <CAS Number> (213)
159989-65-8

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (214)
2268

>  <Formula> (214)
C21H22Cl2N2O8

>  <MolWeight> (214)
501.31398

>  <Item Name> (214)
Demeclocycline HCl

>  <Catalog Number> (214)
S4279

>  <Synonyms> (214)
N/A

>  <Target> (214)
Antifection

>  <Form> (214)
Hydrochloride

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

>  <CAS Number> (214)
64-73-3

$$$$
Anidulafungin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (215)
2272

>  <Formula> (215)
C58H73N7O17

>  <MolWeight> (215)
1140.23692

>  <Item Name> (215)
Anidulafungin (LY303366)

>  <Catalog Number> (215)
S4286

>  <Synonyms> (215)
N/A

>  <Target> (215)
Antifection

>  <Form> (215)
Free Base

>  <URL> (215)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (215)
166663-25-8

$$$$
Micafungin sodium.cdx
csChFnd80/10101813162D

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 23 88  1  0  0  0  0
 88 89  2  0  0  0  0
 88 90  1  0  0  0  0
 84 85  1  0  0  0  0
M  END
>  <Mol_ID> (216)
2280

>  <Formula> (216)
C56H70N9NaO23S

>  <MolWeight> (216)
1292.25627

>  <Item Name> (216)
Micafungin Sodium

>  <Catalog Number> (216)
S4287

>  <Synonyms> (216)
FK463 Sodium

>  <Target> (216)
Antifection

>  <Form> (216)
Sodium Salt

>  <URL> (216)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (216)
208538-73-2

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/10101813162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    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
    1.2124    4.2000    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
    0.0000    2.1000    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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    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  1  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  5 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  6  1  0  0  0  0
  4 15  2  0  0  0  0
  3 16  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (217)
2291

>  <Formula> (217)
C19H17NO3

>  <MolWeight> (217)
307.34318

>  <Item Name> (217)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (217)
S7310

>  <Synonyms> (217)
N/A

>  <Target> (217)
PTEN

>  <Form> (217)
Free Base

>  <URL> (217)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (217)
345630-40-2

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/10101813162D

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.3903    5.0511    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1702    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3908    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    4.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3287    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    3.9653    0.0000 H   0  0  0  0  0  0  0  0  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  7  2  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  1  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 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  6  0  0  0
M  END
>  <Mol_ID> (218)
2299

>  <Formula> (218)
C17H17ClF6N2O

>  <MolWeight> (218)
414.7730992

>  <Item Name> (218)
Mefloquine HCl

>  <Catalog Number> (218)
S4420

>  <Synonyms> (218)
N/A

>  <Target> (218)
Antifection

>  <Form> (218)
Hydrochloride

>  <URL> (218)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (218)
51773-92-3

$$$$
Biapenem.cdx
csChFnd80/10101813162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.1544    0.4326    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1544    1.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088    1.1326    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.7088    1.1326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0922    3.8608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8011    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8393    3.6240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.7922    5.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1445    5.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2174    7.1255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8651    7.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073    8.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7379    1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3052    0.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1073    1.7421    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7917    5.4419    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
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  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  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 10 16  1  0  0  0  0
 10 14  1  0  0  0  0
 16 17  2  0  0  0  0
 13 18  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  1  0  0  0
 15 19  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 11 22  1  0  0  0  0
  9 12  1  0  0  0  0
  7  9  1  0  0  0  0
 14 25  1  1  0  0  0
M  END
>  <Mol_ID> (219)
2304

>  <Formula> (219)
C15H18N4O4S

>  <MolWeight> (219)
350.39282

>  <Item Name> (219)
Biapenem

>  <Catalog Number> (219)
S1370

>  <Synonyms> (219)
L-627, LJC10627

>  <Target> (219)
Antifection

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (219)
120410-24-4

$$$$
Caspofungin acetate.cdx
csChFnd80/10101813162D

 90 91  0  0  0  0  0  0  0  0999 V2000
    1.2082   14.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332   13.9271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8332   12.5271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666   13.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666   12.5271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0457   11.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790   11.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5914   12.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5914   13.9271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3790   14.6271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   11.8271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0163   12.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0163   13.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   14.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288   11.8271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4412   12.5271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4412   13.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288   14.6271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6536   11.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8661   12.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8661   13.9271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6536   14.6271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   14.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1788   15.2788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   16.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4412   15.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0743   14.6247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2957   13.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8661   15.3222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3541   16.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7541   16.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0743   11.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288   10.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5914   11.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0698   10.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9270    8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1394    8.8667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1294    7.8767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8332    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (220)
2306

>  <Formula> (220)
C56H96N10O19

>  <MolWeight> (220)
1213.41704

>  <Item Name> (220)
Caspofungin Acetate

>  <Catalog Number> (220)
S3073

>  <Synonyms> (220)
N/A

>  <Target> (220)
Antifection

>  <Form> (220)
diacetate

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

>  <CAS Number> (220)
179463-17-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (221)
2308

>  <Formula> (221)
C15H26N4O7S2

>  <MolWeight> (221)
438.51954

>  <Item Name> (221)
Doripenem Hydrate

>  <Catalog Number> (221)
S1374

>  <Synonyms> (221)
S-4661

>  <Target> (221)
Antifection

>  <Form> (221)
Hydrate

>  <URL> (221)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (221)
364622-82-2

$$$$
Teicoplanin.cdx
csChFnd80/10101813162D

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A   35
R
A  185
?R:?
M  END
>  <Mol_ID> (222)
2318

>  <Formula> (222)
C135H190Cl2N9O37R2

>  <MolWeight> (222)
2601.8972

>  <Item Name> (222)
Teicoplanin

>  <Catalog Number> (222)
S1399

>  <Synonyms> (222)
Teichomycin

>  <Target> (222)
Antifection

>  <Form> (222)
Free Base

>  <URL> (222)
http://www.selleckchem.com/products/Teicoplanin.html

>  <CAS Number> (222)
61036-62-2

$$$$
Mupirocin .cdx
csChFnd80/10101813162D

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>  <Mol_ID> (223)
2330

>  <Formula> (223)
C26H44O9

>  <MolWeight> (223)
500.62216

>  <Item Name> (223)
Mupirocin

>  <Catalog Number> (223)
S4297

>  <Synonyms> (223)
N/A

>  <Target> (223)
DNA/RNA Synthesis

>  <Form> (223)
Free Base

>  <URL> (223)
http://www.selleckchem.com/products/mupirocin.html

>  <CAS Number> (223)
12650-69-0

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (224)
2334

>  <Formula> (224)
C38H65NO14

>  <MolWeight> (224)
759.921

>  <Item Name> (224)
Erythromycin Cyclocarbonate

>  <Catalog Number> (224)
S7550

>  <Synonyms> (224)
N/A

>  <Target> (224)
Antifection

>  <Form> (224)
Free Base

>  <URL> (224)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (224)
55224-05-0

$$$$
Clopidol.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (225)
2363

>  <Formula> (225)
C7H7Cl2NO

>  <MolWeight> (225)
192.04258

>  <Item Name> (225)
Clopidol

>  <Catalog Number> (225)
S4142

>  <Synonyms> (225)
N/A

>  <Target> (225)
Antifection

>  <Form> (225)
Free Base

>  <URL> (225)
http://www.selleckchem.com/products/clopidol.html

>  <CAS Number> (225)
2971-90-6

$$$$
PJ34.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (226)
2368

>  <Formula> (226)
C17H18ClN3O2

>  <MolWeight> (226)
331.79672

>  <Item Name> (226)
PJ34 hcl

>  <Catalog Number> (226)
S7300

>  <Synonyms> (226)
N/A

>  <Target> (226)
PARP

>  <Form> (226)
Hydrochloride

>  <URL> (226)
http://www.selleckchem.com/products/pj34-hcl.html

>  <CAS Number> (226)
344458-15-7

$$$$
GSK1324726A (I-BET726).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (227)
2395

>  <Formula> (227)
C25H23ClN2O3

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434.91472

>  <Item Name> (227)
GSK1324726A (I-BET726)

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S7620

>  <Synonyms> (227)
N/A

>  <Target> (227)
Epigenetic Reader Domain

>  <Form> (227)
Free Base

>  <URL> (227)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

>  <CAS Number> (227)
1300031-52-0

$$$$
Isepamicin sulfate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (228)
2397

>  <Formula> (228)
C22H45N5O16S

>  <MolWeight> (228)
667.6816

>  <Item Name> (228)
Isepamicin Sulphate

>  <Catalog Number> (228)
S4271

>  <Synonyms> (228)
Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (228)
Antifection

>  <Form> (228)
Sulphate

>  <URL> (228)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (228)
67814-76-0

$$$$
RN486.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (229)
2444

>  <Formula> (229)
C35H35FN6O3

>  <MolWeight> (229)
606.6892032

>  <Item Name> (229)
RN486

>  <Catalog Number> (229)
S7080

>  <Synonyms> (229)
N/A

>  <Target> (229)
BTK

>  <Form> (229)
Free Base

>  <URL> (229)
http://www.selleckchem.com/products/rn486.html

>  <CAS Number> (229)
no

$$$$
Anisomycin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (230)
2492

>  <Formula> (230)
C14H19NO4

>  <MolWeight> (230)
265.30496

>  <Item Name> (230)
Anisomycin

>  <Catalog Number> (230)
S7409

>  <Synonyms> (230)
Flagecidin 

>  <Target> (230)
JNK

>  <Form> (230)
Free Base

>  <URL> (230)
http://www.selleckchem.com/products/anisomycin.html

>  <CAS Number> (230)
22862-76-6

$$$$
s4030.cdx
csChFnd80/10101813162D

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A   20
R
A   48
R=
A   49
or
A   50
or
M  CFW   2 BOND_GSTEREO 5
M  CFW   8 BOND_GSTEREO 5
M  CFW  14 BOND_GSTEREO 5
M  END
>  <Mol_ID> (231)
2502

>  <Formula> (231)
C27H64N7O11R4S

>  <MolWeight> (231)
694.90236

>  <Item Name> (231)
Gentamicin Sulfate

>  <Catalog Number> (231)
S4030

>  <Synonyms> (231)
NSC-82261, SCH9724

>  <Target> (231)
Antifection

>  <Form> (231)
Sulfate

>  <URL> (231)
http://www.selleckchem.com/products/gentamicin-sulfate.html

>  <CAS Number> (231)
1405-41-0

$$$$
Licochalcone A.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (232)
2517

>  <Formula> (232)
C21H22O4

>  <MolWeight> (232)
338.39698

>  <Item Name> (232)
Licochalcone A

>  <Catalog Number> (232)
S7828

>  <Synonyms> (232)
N/A

>  <Target> (232)
Estrogen/progestogen Receptor

>  <Form> (232)
Free Base

>  <URL> (232)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (232)
58749-22-7

$$$$
S2597-Oseltamivir phosphate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (233)
2533

>  <Formula> (233)
C16H31N2O8P

>  <MolWeight> (233)
410.399701

>  <Item Name> (233)
Oseltamivir Phosphate

>  <Catalog Number> (233)
S2597

>  <Synonyms> (233)
N/A

>  <Target> (233)
Antifection

>  <Form> (233)
Phosphate salt

>  <URL> (233)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (233)
204255-11-8

$$$$
S3027.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (234)
2546

>  <Formula> (234)
C30H30CaO8

>  <MolWeight> (234)
558.6324

>  <Item Name> (234)
Fenoprofen calcium hydrate

>  <Catalog Number> (234)
S3027

>  <Synonyms> (234)
N/A

>  <Target> (234)
Immunology & Inflammation related

>  <Form> (234)
Calcium dihydrate salt

>  <URL> (234)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (234)
71720-56-4

$$$$
Sertaconazole nitrate.cdx
csChFnd80/10101813162D

 31 33  0  0  0  0  0  0  0  0999 V2000
   11.1920    5.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3661    4.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (235)
2549

>  <Formula> (235)
C20H16Cl3N3O4S

>  <MolWeight> (235)
500.78274

>  <Item Name> (235)
Sertaconazole nitrate

>  <Catalog Number> (235)
S3161

>  <Synonyms> (235)
FI-7045

>  <Target> (235)
Antifection

>  <Form> (235)
Nitrate

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

>  <CAS Number> (235)
99592-39-9

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/10101813162D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (236)
2566

>  <Formula> (236)
C26H44NNaO6S

>  <MolWeight> (236)
521.68543

>  <Item Name> (236)
Sodium Tauroursodeoxycholate (TUDC)

>  <Catalog Number> (236)
S7896

>  <Synonyms> (236)
N/A

>  <Target> (236)
Antifection

>  <Form> (236)
sodium salt

>  <URL> (236)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

>  <CAS Number> (236)
35807-85-3

$$$$
T-705 (Favipiravir).cdx
csChFnd80/10101813162D

 11 11  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
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  1  2  2  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (237)
2603

>  <Formula> (237)
C5H4FN3O2

>  <MolWeight> (237)
157.1025632

>  <Item Name> (237)
Favipiravir (T-705)

>  <Catalog Number> (237)
S7975

>  <Synonyms> (237)
N/A

>  <Target> (237)
DNA/RNA Synthesis

>  <Form> (237)
Free Base

>  <URL> (237)
http://www.selleckchem.com/products/favipiravir-t-705.html

>  <CAS Number> (237)
259793-96-9

$$$$
Fumagillin.cdx
csChFnd80/10101813162D

 34 36  0  0  0  0  0  0  0  0999 V2000
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   18.8556    3.4733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  5 11  1  1  0  0  0
  9 12  1  6  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 16  1  0  0  0  0
  5  8  1  0  0  0  0
  4 17  1  1  0  0  0
 17 18  1  0  0  0  0
  4 18  1  6  0  0  0
  7 19  1  0  0  0  0
  1 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
  8 34  1  6  0  0  0
M  CFW  13 B_NG_STER 2
M  END
>  <Mol_ID> (238)
2636

>  <Formula> (238)
C26H34O7

>  <MolWeight> (238)
458.54396

>  <Item Name> (238)
Fumagillin

>  <Catalog Number> (238)
S7784

>  <Synonyms> (238)
N/A

>  <Target> (238)
Others

>  <Form> (238)
Free Base

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

>  <CAS Number> (238)
23110-15-8

$$$$

csChFnd80/10101813162D

 59 64  0  0  0  0  0  0  0  0999 V2000
   12.4873   13.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0625   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   13.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2749   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9122   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9122    9.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1247   11.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4873    9.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6376   10.8917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   15.0917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.0623    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2748    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2748    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8499    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4872    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6997    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0623    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3623    6.8124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7623    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1499    7.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2126    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5642    6.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8432    7.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6969    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2126    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6045    4.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
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  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  3 11  1  0  0  0  0
  4 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  1  0  0  0
 15  1  1  1  0  0  0
  7 19  1  0  0  0  0
  9 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  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 23  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  1  0  0  0
  8 25  1  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  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 32 41  1  0  0  0  0
 36 41  2  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 34 42  1  0  0  0  0
 35 45  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  1  0  0  0
 46 32  1  1  0  0  0
 38 50  1  0  0  0  0
 40 51  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
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 52 54  1  0  0  0  0
 54 58  1  0  0  0  0
 58 59  1  1  0  0  0
 39 56  1  0  0  0  0
M  END
>  <Mol_ID> (239)
2672

>  <Formula> (239)
C38H42Cl2F4N6O9

>  <MolWeight> (239)
873.6744928

>  <Item Name> (239)
Sitafloxacin hydrate

>  <Catalog Number> (239)
S2152

>  <Synonyms> (239)
DU 6859A, DU 6859, DU-6859, LS-184401

>  <Target> (239)
Antifection

>  <Form> (239)
1.5 hydrate

>  <URL> (239)
http://www.selleckchem.com/products/Sitafloxacin(DU-6859A).html

>  <CAS Number> (239)
163253-35-8, 163253-37-0 (H2O), 127254-12-0 (free base), 3466

$$$$
Chloroxylenol.cdx
csChFnd80/10101813162D

 10 10  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
    0.0000    1.4000    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
    2.4249    0.0000    0.0000 Cl  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
  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
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (240)
2733

>  <Formula> (240)
C8H9ClO

>  <MolWeight> (240)
156.60946

>  <Item Name> (240)
Chloroxylenol

>  <Catalog Number> (240)
S4518

>  <Synonyms> (240)
N/A

>  <Target> (240)
Antifection

>  <Form> (240)
Free Base

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

>  <CAS Number> (240)
88-04-0

$$$$
Cefotaxime sodium.cdx
csChFnd80/10101813162D

 32 33  0  0  0  0  0  0  0  0999 V2000
    9.7458    4.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7458    5.6329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9570    3.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3343    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3343    5.6329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9620    6.3353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1824    4.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9570    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444    3.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444    6.6228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1849    5.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3948    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1657    1.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7408    1.4234    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9921    6.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3948    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0021    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6297    4.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6054    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    6.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6054    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8168    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349    7.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762    5.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7168    8.9651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6298    5.7022    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2159    1.2189    0.0000 Na  0  3  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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 31  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  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
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (241)
2734

>  <Formula> (241)
C16H16N5NaO7S2

>  <MolWeight> (241)
477.44731

>  <Item Name> (241)
Cefotaxime sodium

>  <Catalog Number> (241)
S4517

>  <Synonyms> (241)
N/A

>  <Target> (241)
Antifection

>  <Form> (241)
Sodium Salt

>  <URL> (241)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (241)
64485-93-4

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/10101813162D

 95 96  0  0  0  0  0  0  0  0999 V2000
    9.9572    8.0861    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4725    8.2744    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2081    6.7736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9472    9.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7725    9.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0030    7.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9517    6.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9632   10.0187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3675    9.4869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7443    4.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7083   11.4312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2783    9.6613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   10.6438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7241    8.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7170   12.3410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3841   11.8857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2732   10.5090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2823   10.6486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3910   11.8562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790    8.2200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4241    7.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1175   11.8812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4457   13.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3285   10.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (242)
2740

>  <Formula> (242)
C42H88N14O36S3

>  <MolWeight> (242)
1461.41532

>  <Item Name> (242)
Dihydrostreptomycin sulfate

>  <Catalog Number> (242)
S4523

>  <Synonyms> (242)
N/A

>  <Target> (242)
Antifection

>  <Form> (242)
1.5Sulfate

>  <URL> (242)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (242)
5490-27-7

$$$$
Furazolidone.cdx
csChFnd80/10101813162D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    8.1836    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    3.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5733    4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5638    2.9338    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2473    2.3649    0.0000 N   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  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  5  7  2  0  0  0  0
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M  END
>  <Mol_ID> (243)
2750

>  <Formula> (243)
C8H7N3O5

>  <MolWeight> (243)
225.15828

>  <Item Name> (243)
Furazolidone

>  <Catalog Number> (243)
S4528

>  <Synonyms> (243)
N/A

>  <Target> (243)
Antifection

>  <Form> (243)
Free Base

>  <URL> (243)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (243)
67-45-8

$$$$
Ethylparaben.cdx
csChFnd80/10101813162D

 12 12  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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  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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  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (244)
2753

>  <Formula> (244)
C9H10O3

>  <MolWeight> (244)
166.1739

>  <Item Name> (244)
Ethylparaben

>  <Catalog Number> (244)
S4525

>  <Synonyms> (244)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (244)
Antifection

>  <Form> (244)
Free Base

>  <URL> (244)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (244)
120-47-8

$$$$
Nitrofurantoin.cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6116    2.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4561    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0852    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    4.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    6.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2674    5.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6590    5.4267    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5015    6.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2217    4.1448    0.0000 O   0  5  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
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
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M  END
>  <Mol_ID> (245)
2755

>  <Formula> (245)
C8H6N4O5

>  <MolWeight> (245)
238.15704

>  <Item Name> (245)
Nitrofurantoin

>  <Catalog Number> (245)
S4536

>  <Synonyms> (245)
Macrodantin, Furadantine, Furadonine

>  <Target> (245)
Antifection

>  <Form> (245)
Free Base

>  <URL> (245)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (245)
67-20-9

$$$$
Dehydroacetic acid.cdx
csChFnd80/10101813162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  3  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 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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    4.8497    0.0000    0.0000 O   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    4.2000    0.0000 O   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
    0.0000    0.0000    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  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  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (246)
2757

>  <Formula> (246)
C8H8O4

>  <MolWeight> (246)
168.14672

>  <Item Name> (246)
Dehydroacetic acid

>  <Catalog Number> (246)
S4522

>  <Synonyms> (246)
Biocide 470F, Methylacetopyronone

>  <Target> (246)
Antifection

>  <Form> (246)
Free Base

>  <URL> (246)
http://www.selleckchem.com/products/dehydroacetic-acid.html

>  <CAS Number> (246)
520-45-6

$$$$
DEET.cdx
csChFnd80/10101813162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4322    3.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199    2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    5.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    3.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694    3.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0936    1.4067    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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (247)
2758

>  <Formula> (247)
C12H17NO

>  <MolWeight> (247)
191.26948

>  <Item Name> (247)
DEET

>  <Catalog Number> (247)
S4521

>  <Synonyms> (247)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (247)
Antifection

>  <Form> (247)
Free Base

>  <URL> (247)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (247)
134-62-3

$$$$
Resorcinol.cdx
csChFnd80/10101813162D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4183    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    2.0859    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
    3.6276    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    2.7913    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (248)
2765

>  <Formula> (248)
C6H6O2

>  <MolWeight> (248)
110.11064

>  <Item Name> (248)
Resorcinol

>  <Catalog Number> (248)
S4579

>  <Synonyms> (248)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (248)
Antifection

>  <Form> (248)
Free Base

>  <URL> (248)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (248)
108-46-3

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/10101813162D

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.6248    2.6912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    3.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991    3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    2.6914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    4.7916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152    0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    2.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2629    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4739    2.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8082    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6579    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8703    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6579    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0828    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8703    2.8000    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
  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  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (249)
2768

>  <Formula> (249)
C16H29N3O8

>  <MolWeight> (249)
391.41676

>  <Item Name> (249)
Diethylcarbamazine (citrate)

>  <Catalog Number> (249)
S4564

>  <Synonyms> (249)
N/A

>  <Target> (249)
Antifection

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (249)
1642-54-2

$$$$
m-Tolyl acetate.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6334    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    0.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.1008    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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (250)
2785

>  <Formula> (250)
C9H10O2

>  <MolWeight> (250)
150.1745

>  <Item Name> (250)
m-Tolyl acetate

>  <Catalog Number> (250)
S4573

>  <Synonyms> (250)
3-Methylphenylacetate, m-Cresyl acetate, Acetic acid m-tolyl ester

>  <Target> (250)
Others

>  <Form> (250)
Free Base

>  <URL> (250)
http://www.selleckchem.com/products/m-tolyl-acetate.html

>  <CAS Number> (250)
122-46-3

$$$$
Carsalam.cdx
csChFnd80/10101813162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4043    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    0.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.1325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    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
  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  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (251)
2792

>  <Formula> (251)
C8H5NO3

>  <MolWeight> (251)
163.1302

>  <Item Name> (251)
Carsalam

>  <Catalog Number> (251)
S4555

>  <Synonyms> (251)
Carbonylsalicylamide

>  <Target> (251)
Antifection

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (251)
2037-95-8

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/10101813162D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6213    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    3.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    1.3791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    3.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    5.5870    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4099    0.0000 I   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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  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 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (252)
2797

>  <Formula> (252)
C9H5I2NO

>  <MolWeight> (252)
396.95104

>  <Item Name> (252)
Diiodohydroxyquinoline

>  <Catalog Number> (252)
S4565

>  <Synonyms> (252)
Iodoquinol

>  <Target> (252)
Antifection

>  <Form> (252)
Free Base

>  <URL> (252)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (252)
83-73-8

$$$$
S4559 Cloxiquine.cdx
csChFnd80/10101813162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    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
    1.2124    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   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
    1.2124    5.6000    0.0000 Cl  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    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    2.1000    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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (253)
2798

>  <Formula> (253)
C9H6ClNO

>  <MolWeight> (253)
179.60304

>  <Item Name> (253)
Cloxiquine

>  <Catalog Number> (253)
S4559

>  <Synonyms> (253)
5-Chloro-8-quinolinol, Dermofungin|

>  <Target> (253)
Antifection

>  <Form> (253)
Free Base

>  <URL> (253)
http://www.selleckchem.com/products/cloxiquine.html

>  <CAS Number> (253)
130-16-5

$$$$
S4553 Bronopol.cdx
csChFnd80/10101813162D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.3422    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3523    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    1.3523    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    2.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (254)
2801

>  <Formula> (254)
C3H6BrNO4

>  <MolWeight> (254)
199.98804

>  <Item Name> (254)
Bronopol

>  <Catalog Number> (254)
S4553

>  <Synonyms> (254)
N/A

>  <Target> (254)
Antifection

>  <Form> (254)
Free Base

>  <URL> (254)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (254)
52-51-7

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/10101813162D

 11 12  0  0  0  0  0  0  0  0999 V2000
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    3.2383    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
M  END
>  <Mol_ID> (255)
2807

>  <Formula> (255)
C10H16O

>  <MolWeight> (255)
152.23344

>  <Item Name> (255)
(+)-Camphor

>  <Catalog Number> (255)
S4516

>  <Synonyms> (255)
N/A

>  <Target> (255)
TRPV

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (255)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/10101813162D

 27 28  0  0  0  0  0  0  0  0999 V2000
    8.3513    2.8738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3743    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5865    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1811    0.0000    0.0000 Na  0  3  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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 10 15  1  0  0  0  0
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 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (256)
2808

>  <Formula> (256)
C16H15N2NaO6S2

>  <MolWeight> (256)
418.41987

>  <Item Name> (256)
Cephalothin

>  <Catalog Number> (256)
S4594

>  <Synonyms> (256)
Cefalotin

>  <Target> (256)
Antifection

>  <Form> (256)
Free Base

>  <URL> (256)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (256)
58-71-9

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/10101813162D

 16 17  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
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    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
    4.8497    2.1000    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
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    0.0000    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
    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
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M  END
>  <Mol_ID> (257)
2821

>  <Formula> (257)
C14H12O2

>  <MolWeight> (257)
212.24388

>  <Item Name> (257)
Benzyl benzoate

>  <Catalog Number> (257)
S4599

>  <Synonyms> (257)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (257)
Others

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (257)
120-51-4

$$$$
S4596 Cefixime.cdx
csChFnd80/10101813162D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6620    2.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6698    4.2109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8680    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2673    2.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2687    4.2187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8919    4.9017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0893    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8680    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    1.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (258)
2823

>  <Formula> (258)
C16H15N5O7S2

>  <MolWeight> (258)
453.4496

>  <Item Name> (258)
Cefixime

>  <Catalog Number> (258)
S4596

>  <Synonyms> (258)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (258)
Antifection

>  <Form> (258)
Free Base

>  <URL> (258)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (258)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/10101813162D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.6425    3.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (259)
2824

>  <Formula> (259)
C14H13N8NaO4S3

>  <MolWeight> (259)
476.48899

>  <Item Name> (259)
Cefazolin Sodium

>  <Catalog Number> (259)
S4595

>  <Synonyms> (259)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (259)
Antifection

>  <Form> (259)
Sodium Salt

>  <URL> (259)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (259)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/10101813162D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  3  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    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    2.1000    0.0000 C   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
    2.4249    6.3000    0.0000 O   0  5  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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (260)
2825

>  <Formula> (260)
C9H6N2O3

>  <MolWeight> (260)
190.15554

>  <Item Name> (260)
Nitroxoline

>  <Catalog Number> (260)
S4591

>  <Synonyms> (260)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (260)
Topoisomerase

>  <Form> (260)
Free Base

>  <URL> (260)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (260)
4008-48-4

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/10101813162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6711    7.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1497    9.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6129    6.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7025    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4621    9.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3015    4.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3006   10.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845    8.6138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6015    3.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464   10.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6338    9.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    2.4246    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  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
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 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
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (261)
2828

>  <Formula> (261)
C13H13N3O5S2

>  <MolWeight> (261)
355.38942

>  <Item Name> (261)
Succinylsulfathiazole

>  <Catalog Number> (261)
S4585

>  <Synonyms> (261)
Succinylsulphathiazole

>  <Target> (261)
Antifection

>  <Form> (261)
Free Base

>  <URL> (261)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (261)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/10101813162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6474    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    2.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    4.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818    2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7057    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177    2.1213    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  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (262)
2829

>  <Formula> (262)
C11H14O3

>  <MolWeight> (262)
194.22706

>  <Item Name> (262)
Butylparaben

>  <Catalog Number> (262)
S4584

>  <Synonyms> (262)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (262)
Antifection

>  <Form> (262)
Free Base

>  <URL> (262)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (262)
94-26-8

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6356    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474    2.8040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    3.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5472    1.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479    4.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9227    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7065    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    4.9097    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
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
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 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> (263)
2832

>  <Formula> (263)
C13H12N2O3S

>  <MolWeight> (263)
276.31098

>  <Item Name> (263)
Sulfabenzamide

>  <Catalog Number> (263)
S4576

>  <Synonyms> (263)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (263)
Antifection

>  <Form> (263)
Free Base

>  <URL> (263)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (263)
127-71-9

$$$$
Cefuroxime sodium.cdx
csChFnd80/10101813162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.2743    6.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    6.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0626    3.9651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    4.6654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6742    4.6654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6738    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    8.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    8.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640    8.8543    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6713    7.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6591    3.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0188    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3812    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6464    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2941    1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2627    4.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6230    3.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469    6.7594    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  8  1  0  0  0  0
  1  6  1  0  0  0  0
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  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
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 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  6 31  1  6  0  0  0
M  END
>  <Mol_ID> (264)
2834

>  <Formula> (264)
C16H15N4NaO8S

>  <MolWeight> (264)
446.36707

>  <Item Name> (264)
Cefuroxime sodium

>  <Catalog Number> (264)
S4620

>  <Synonyms> (264)
N/A

>  <Target> (264)
Antifection

>  <Form> (264)
Sodium Salt

>  <URL> (264)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (264)
56238-63-2

$$$$
Sisomicin sulfate.cdx
csChFnd80/10101813162D

 87 86  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.2884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (265)
2837

>  <Formula> (265)
C38H84N10O34S5

>  <MolWeight> (265)
1385.44516

>  <Item Name> (265)
Sisomicin sulfate

>  <Catalog Number> (265)
S4540

>  <Synonyms> (265)
N/A

>  <Target> (265)
Antifection

>  <Form> (265)
2.5Sulfate

>  <URL> (265)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (265)
53179-09-2

$$$$
S4592 SBE-¦Â-CD.cdx
csChFnd80/10101813162D

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n
M  END
>  <Mol_ID> (266)
2840

>  <Formula> (266)
C50H82Na2O41RS2

>  <MolWeight> (266)
1449.27102

>  <Item Name> (266)
Captisol (SBE-¦Â-CD)

>  <Catalog Number> (266)
S4592

>  <Synonyms> (266)
Sulfobutylether-¦Â-Cyclodextrin

>  <Target> (266)
Others

>  <Form> (266)
Free Base

>  <URL> (266)
http://www.selleckchem.com/products/sbe-b-cd.html

>  <CAS Number> (266)
182410-00-0

$$$$
S4612 Dapson.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (267)
2857

>  <Formula> (267)
C12H12N2O2S

>  <MolWeight> (267)
248.30088

>  <Item Name> (267)
Dapson

>  <Catalog Number> (267)
S4612

>  <Synonyms> (267)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (267)
Antifection

>  <Form> (267)
Free Base

>  <URL> (267)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (267)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (268)
2858

>  <Formula> (268)
C16H13N3O3

>  <MolWeight> (268)
295.29272

>  <Item Name> (268)
Mebendazole

>  <Catalog Number> (268)
S4610

>  <Synonyms> (268)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (268)
Antifection

>  <Form> (268)
Free Base

>  <URL> (268)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (268)
31431-39-7

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (269)
2870

>  <Formula> (269)
C32H35ClN18O10S6

>  <MolWeight> (269)
1059.5779

>  <Item Name> (269)
Cefmenoxime hydrochloride

>  <Catalog Number> (269)
S4647

>  <Synonyms> (269)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

>  <Target> (269)
Antifection

>  <Form> (269)
hydrochloride

>  <URL> (269)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

>  <CAS Number> (269)
75738-58-8

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/10101813162D

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  3  9  1  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (270)
2880

>  <Formula> (270)
C17H16FN6O6P

>  <MolWeight> (270)
450.3177042

>  <Item Name> (270)
Tedizolid Phosphate

>  <Catalog Number> (270)
S4641

>  <Synonyms> (270)
TR-701FA

>  <Target> (270)
Antifection

>  <Form> (270)
Free Base

>  <URL> (270)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (270)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6463    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587    2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    2.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6463    0.6998    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  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  1  0  0  0  0
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  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
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 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (271)
2881

>  <Formula> (271)
C10H9N4NaO2S

>  <MolWeight> (271)
272.25883

>  <Item Name> (271)
Sodium sulfadiazine

>  <Catalog Number> (271)
S4634

>  <Synonyms> (271)
Sulfadiazin-natrium

>  <Target> (271)
Antifection

>  <Form> (271)
Sodium salt

>  <URL> (271)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (271)
547-32-0

$$$$
S4602 Acetohydroxamic acid.cdx
csChFnd80/10101813162D

  5  4  0  0  0  0  0  0  0  0999 V2000
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
    3.6373    0.7000    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
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (272)
2884

>  <Formula> (272)
C2H5NO2

>  <MolWeight> (272)
75.0666

>  <Item Name> (272)
Acetohydroxamic acid

>  <Catalog Number> (272)
S4602

>  <Synonyms> (272)
N-Hydroxyacetamide, Methylhydroxamic acid, Acetic acid|oxime, Lithostat

>  <Target> (272)
Antifection

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/acetohydroxamic-acid.html

>  <CAS Number> (272)
546-88-3

$$$$
Triclosan.cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4289    1.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  2  0  0  0  0
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 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (273)
2885

>  <Formula> (273)
C12H7Cl3O2

>  <MolWeight> (273)
289.54178

>  <Item Name> (273)
Triclosan

>  <Catalog Number> (273)
S4541

>  <Synonyms> (273)
Irgasan, Cloxifenolum

>  <Target> (273)
Antifection

>  <Form> (273)
Free Base

>  <URL> (273)
http://www.selleckchem.com/products/triclosan.html

>  <CAS Number> (273)
3380-34-5

$$$$
S4550 Azelaic acid.cdx
csChFnd80/10101813162D

 13 12  0  0  0  0  0  0  0  0999 V2000
    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
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    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
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  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
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (274)
2891

>  <Formula> (274)
C9H16O4

>  <MolWeight> (274)
188.22094

>  <Item Name> (274)
Azelaic acid

>  <Catalog Number> (274)
S4550

>  <Synonyms> (274)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (274)
Antifection

>  <Form> (274)
Free Base

>  <URL> (274)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (274)
123-99-9

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/10101813162D

 41 43  0  0  0  0  0  0  0  0999 V2000
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    3.6977    3.5031    0.0000 C   0  0  2  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
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  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
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  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 39  1  6  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
 10 18  1  6  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 19  2  0  0  0  0
 12 14  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  0  0  0  0
 15 40  1  6  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  6  0  0  0
 22 26  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  2  0  0  0  0
 25 31  1  0  0  0  0
 25 32  2  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (275)
2920

>  <Formula> (275)
C31H47NaO6

>  <MolWeight> (275)
538.69105

>  <Item Name> (275)
Fusidate Sodium

>  <Catalog Number> (275)
S4663

>  <Synonyms> (275)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (275)
Antifection

>  <Form> (275)
sodium salt

>  <URL> (275)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (275)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/10101813162D

 13 14  0  0  0  0  0  0  0  0999 V2000
    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    1.4000    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
    4.8497    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
    2.4249    0.0000    0.0000 O   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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 Cl  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
    0.0000    1.4000    0.0000 I   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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  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 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (276)
2921

>  <Formula> (276)
C9H5ClINO

>  <MolWeight> (276)
305.49957

>  <Item Name> (276)
Clioquinol

>  <Catalog Number> (276)
S4601

>  <Synonyms> (276)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (276)
Antifection

>  <Form> (276)
Free Base

>  <URL> (276)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (276)
130-26-7

$$$$
S4671 Cefradine.cdx
csChFnd80/10101813162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.7806    2.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    4.2086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4050    2.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4050    4.2086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9888    4.9012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    1.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2213    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    5.1986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2218    4.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4338    2.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7710    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1959    0.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0628    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0728    5.8262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7004    3.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205    5.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4352    7.1785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218    6.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    4.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    6.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9884    3.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4204    5.5615    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  6  0  0  0
  3  7  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (277)
2935

>  <Formula> (277)
C16H19N3O4S

>  <MolWeight> (277)
349.40476

>  <Item Name> (277)
Cefradine

>  <Catalog Number> (277)
S4671

>  <Synonyms> (277)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (277)
Antifection

>  <Form> (277)
Free Base

>  <URL> (277)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (277)
38821-53-3

$$$$
Atazanavir.cdx
csChFnd80/10101813162D

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    4.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5577    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    7.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9725    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9725    9.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559   10.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    9.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3268    7.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1850   10.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4016    9.6011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6183   10.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6183   11.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4016   12.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1850   11.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    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
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 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
  6 14  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 10 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 11 25  1  1  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  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 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 35 41  1  0  0  0  0
 13 41  1  0  0  0  0
 38 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 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 42  1  0  0  0  0
 28 48  1  1  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
M  END
>  <Mol_ID> (278)
2938

>  <Formula> (278)
C38H52N6O7

>  <MolWeight> (278)
704.85548

>  <Item Name> (278)
Atazanavir

>  <Catalog Number> (278)
S4662

>  <Synonyms> (278)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (278)
HIV Protease

>  <Form> (278)
Free Base

>  <URL> (278)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (278)
198904-31-3

$$$$
Kanamycin sulfate.cdx
csChFnd80/10101813162D

 40 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8413    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    5.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (279)
2939

>  <Formula> (279)
C18H38N4O15S

>  <MolWeight> (279)
582.57712

>  <Item Name> (279)
Kanamycin sulfate

>  <Catalog Number> (279)
S2315

>  <Synonyms> (279)
Kanamycin monosulfate

>  <Target> (279)
Antifection

>  <Form> (279)
sulfate

>  <URL> (279)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (279)
25389-94-0

$$$$
Polymyxin B sulphate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (280)
2942

>  <Formula> (280)
C56H100N16O17S

>  <MolWeight> (280)
1301.5552

>  <Item Name> (280)
Polymyxin B sulphate

>  <Catalog Number> (280)
S1395

>  <Synonyms> (280)
Aerosporin, PMB, Poly-RX

>  <Target> (280)
Antifection

>  <Form> (280)
sulfate

>  <URL> (280)
http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

>  <CAS Number> (280)
1405-20-5, 4135-11-9 (free base)

$$$$
Tazobactam.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (281)
2954

>  <Formula> (281)
C10H12N4O5S

>  <MolWeight> (281)
300.29108

>  <Item Name> (281)
Tazobactam

>  <Catalog Number> (281)
S3077

>  <Synonyms> (281)
N/A

>  <Target> (281)
Antifection

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (281)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
Shikonin.cdx
csChFnd80/10101813162D

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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    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
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 10  5  1  0  0  0  0
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 10  9  1  0  0  0  0
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  7 13  2  0  0  0  0
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 18 20  1  0  0  0  0
 15 21  1  6  0  0  0
M  END
>  <Mol_ID> (282)
2997

>  <Formula> (282)
C16H16O5

>  <MolWeight> (282)
288.29524

>  <Item Name> (282)
Shikonin

>  <Catalog Number> (282)
S8279

>  <Synonyms> (282)
N/A

>  <Target> (282)
Others

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/shikonin.html

>  <CAS Number> (282)
517-89-5

$$$$
ZK756326.cdx
csChFnd80/10101813162D

 28 28  0  0  0  0  0  0  0  0999 V2000
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   19.0467    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   28.3257    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (283)
3014

>  <Formula> (283)
C21H30Cl2N2O3

>  <MolWeight> (283)
429.3805

>  <Item Name> (283)
ZK756326 2HCl

>  <Catalog Number> (283)
S8324

>  <Synonyms> (283)
N/A

>  <Target> (283)
CXCR

>  <Form> (283)
Dihydrochloride

>  <URL> (283)
http://www.selleckchem.com/products/zk756326.html

>  <CAS Number> (283)
874911-96-3

$$$$
S4737 Psoralen.cdx
csChFnd80/10101813162D

 14 16  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 O   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    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  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
    7.3937    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    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
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  4  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  2 14  2  0  0  0  0
M  END
>  <Mol_ID> (284)
3102

>  <Formula> (284)
C11H6O3

>  <MolWeight> (284)
186.16354

>  <Item Name> (284)
Psoralen

>  <Catalog Number> (284)
S4737

>  <Synonyms> (284)
psoralene, Ficusin, Furocoumarin

>  <Target> (284)
DNA/RNA Synthesis

>  <Form> (284)
Free Base

>  <URL> (284)
http://www.selleckchem.com/products/psoralen.html

>  <CAS Number> (284)
66-97-7

$$$$
S4750 Sulfacetamide sodium salt hydrate.cdx
csChFnd80/10101813162D

 16 15  0  0  0  0  0  0  0  0999 V2000
    5.6000    3.5355    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.1355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.3231    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    5.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349    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  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (285)
3138

>  <Formula> (285)
C8H11N2NaO4S

>  <MolWeight> (285)
254.23871

>  <Item Name> (285)
Sulfacetamide Sodium salt hydrate

>  <Catalog Number> (285)
S4750

>  <Synonyms> (285)
N/A

>  <Target> (285)
Autophagy

>  <Form> (285)
sodium salt hyd

>  <URL> (285)
http://www.selleckchem.com/products/sulfacetamide-sodium-salt-hydrate.html

>  <CAS Number> (285)
6209-17-2

$$$$
S4678 Povidone iodine.cdx
csChFnd80/10101813162D

 12 10  0  0  0  0  0  0  0  0999 V2000
    0.0756    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3409    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.0779    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    2.4063    0.0000 R   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  1  1  0  0  0  0
  3  6  2  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
  7 10  1  0  0  0  0
A   11
n
A   12
xI2
M  END
>  <Mol_ID> (286)
3168

>  <Formula> (286)
C8H15NOR2

>  <MolWeight> (286)
141.2108

>  <Item Name> (286)
Povidone iodine

>  <Catalog Number> (286)
S4678

>  <Synonyms> (286)
Betadine, PVP iodine, PVP-I, Isodine

>  <Target> (286)
Antifection

>  <Form> (286)
iodine

>  <URL> (286)
http://www.selleckchem.com/products/povidone-iodine.html

>  <CAS Number> (286)
25655-41-8

$$$$
S1499 Cefaclor.cdx
csChFnd80/10101813162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.7728    4.9875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7728    3.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9853    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1977    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1977    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9853    5.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728    4.9875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3728    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4059    2.8899    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9853    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3422    4.8861    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
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  2  0  0  0  0
  1 14  1  6  0  0  0
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 24 19  1  0  0  0  0
 18 25  1  1  0  0  0
M  END
>  <Mol_ID> (287)
3187

>  <Formula> (287)
C15H16ClN3O5S

>  <MolWeight> (287)
385.82264

>  <Item Name> (287)
Cefaclor

>  <Catalog Number> (287)
S1499

>  <Synonyms> (287)
Cefachlor, Cefaclorum

>  <Target> (287)
Antifection

>  <Form> (287)
monohydrate

>  <URL> (287)
http://www.selleckchem.com/products/Cefaclor-(Ceclor).html

>  <CAS Number> (287)
70356-03-5

$$$$
Stavudine.cdx
csChFnd80/10101813162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.1480    3.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8672    4.1918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0251    5.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3999    5.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0939    4.6458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4840    4.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3134    5.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559    3.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    3.5119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    1.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447    2.0927    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
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  2  8  1  1  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (288)
3211

>  <Formula> (288)
C10H12N2O4

>  <MolWeight> (288)
224.21328

>  <Item Name> (288)
Stavudine

>  <Catalog Number> (288)
S1398

>  <Synonyms> (288)
BMY-27857, Sanilvudine, NSC 163661

>  <Target> (288)
Reverse Transcriptase

>  <Form> (288)
free base

>  <URL> (288)
http://selleckchem.com/products/Stavudine.html

>  <CAS Number> (288)
3056-17-5

$$$$
S3618 Acetylspiramycin.cdx
csChFnd80/10101813162D

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   11.9672    8.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9915    1.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449   10.3245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8794    4.1376    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7634    5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230    9.6831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1386    3.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1386    2.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7686    2.0023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   17.0825    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
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  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
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 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  6  0  0  0
 14 21  2  0  0  0  0
 15 22  1  0  0  0  0
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 17 26  2  0  0  0  0
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 18 28  2  0  0  0  0
 19 29  1  6  0  0  0
 19 30  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  1  0  0  0
 24 33  1  1  0  0  0
 24 31  1  0  0  0  0
 25 34  1  0  0  0  0
 35 29  1  1  0  0  0
 30 36  2  0  0  0  0
 31 37  1  6  0  0  0
 32 38  1  0  0  0  0
 32 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  6  0  0  0
 35 42  1  0  0  0  0
 35 43  1  0  0  0  0
 36 44  1  0  0  0  0
 45 37  1  1  0  0  0
 40 46  1  0  0  0  0
 42 47  1  0  0  0  0
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 44 46  2  0  0  0  0
 45 49  1  0  0  0  0
 45 50  1  0  0  0  0
 47 51  1  0  0  0  0
 47 52  1  1  0  0  0
 48 51  1  0  0  0  0
 49 53  1  0  0  0  0
 50 54  1  0  0  0  0
 51 55  1  6  0  0  0
 53 56  1  0  0  0  0
 53 57  1  0  0  0  0
 53 58  1  1  0  0  0
 54 59  1  6  0  0  0
 54 56  1  0  0  0  0
 55 60  1  0  0  0  0
 55 61  1  0  0  0  0
 56 62  1  1  0  0  0
M  END
>  <Mol_ID> (289)
3279

>  <Formula> (289)
C45H76N2O15

>  <MolWeight> (289)
885.08934

>  <Item Name> (289)
Acetylspiramycin (ASPM)

>  <Catalog Number> (289)
S3618

>  <Synonyms> (289)
Spiramycin II, Foromacidin B

>  <Target> (289)
Others

>  <Form> (289)
free base

>  <URL> (289)
http://www.selleckchem.com/products/acetylspiramycin.html

>  <CAS Number> (289)
24916-51-6

$$$$
S3605 Borneol.cdx
csChFnd80/10101813162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.6382    1.8442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7767    3.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    1.1012    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963    2.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9219    4.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    4.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8439    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4154    1.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7698    3.5671    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  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
M  END
>  <Mol_ID> (290)
3281

>  <Formula> (290)
C10H18O

>  <MolWeight> (290)
154.24932

>  <Item Name> (290)
Borneol

>  <Catalog Number> (290)
S3605

>  <Synonyms> (290)
N/A

>  <Target> (290)
TRPM8

>  <Form> (290)
free base

>  <URL> (290)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (290)
507-70-0

$$$$
S3691 4-Chlorosalicylic acid.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6385    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    2.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0014    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
    1.2137    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    2.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8522    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0028    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  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (291)
3285

>  <Formula> (291)
C7H5ClO3

>  <MolWeight> (291)
172.5658

>  <Item Name> (291)
4-Chloro-2-hydroxybenzoic acid

>  <Catalog Number> (291)
S3691

>  <Synonyms> (291)
4-chloro salicylic acid

>  <Target> (291)
Others

>  <Form> (291)
free base

>  <URL> (291)
http://www.selleckchem.com/products/4-chlorosalicylic-acid.html

>  <CAS Number> (291)
5106-98-9

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/10101813162D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8376    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0440    3.9451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    3.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504    4.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336    5.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7543    2.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    0.0000    0.0000 Cl  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
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (292)
3288

>  <Formula> (292)
C7H11ClN2O2S

>  <MolWeight> (292)
222.69244

>  <Item Name> (292)
Mafenide hydrochloride

>  <Catalog Number> (292)
S3697

>  <Synonyms> (292)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (292)
carbonic anhydrase

>  <Form> (292)
hydrochloride

>  <URL> (292)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (292)
138-37-4

$$$$
S3703 Phenethyl alcohol.cdx
csChFnd80/10101813162D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    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
    2.1000    2.4249    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
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    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
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (293)
3293

>  <Formula> (293)
C8H10O

>  <MolWeight> (293)
122.1644

>  <Item Name> (293)
Phenethyl alcohol

>  <Catalog Number> (293)
S3703

>  <Synonyms> (293)
2-phenylethanol, 2-Phenylethyl alcohol, Benzeneethanol, Phenylethanol

>  <Target> (293)
Others

>  <Form> (293)
free base

>  <URL> (293)
http://www.selleckchem.com/products/phenethyl-alcohol.html

>  <CAS Number> (293)
60-12-8

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/10101813162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  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    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   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
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M  END
>  <Mol_ID> (294)
3300

>  <Formula> (294)
C3Cl3N3O3

>  <MolWeight> (294)
232.4094

>  <Item Name> (294)
Trichloroisocyanuric acid

>  <Catalog Number> (294)
S3632

>  <Synonyms> (294)
N/A

>  <Target> (294)
Others

>  <Form> (294)
free base

>  <URL> (294)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

>  <CAS Number> (294)
87-90-1

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/10101813162D

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 31  2  1  0  0  0  0
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 19  4  1  0  0  0  0
 33  4  1  0  0  0  0
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 16  5  1  0  0  0  0
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 17  6  1  0  0  0  0
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 18  7  1  0  0  0  0
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M  END
>  <Mol_ID> (295)
3302

>  <Formula> (295)
C42H68N2O16

>  <MolWeight> (295)
856.99312

>  <Item Name> (295)
Diammonium Glycyrrhizinate

>  <Catalog Number> (295)
S3622

>  <Synonyms> (295)
N/A

>  <Target> (295)
Others

>  <Form> (295)
ammonium salt 

>  <URL> (295)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (295)
79165-06-3

$$$$
S3629 Syringic acid.cdx
csChFnd80/10101813162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8440    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (296)
3307

>  <Formula> (296)
C9H10O5

>  <MolWeight> (296)
198.1727

>  <Item Name> (296)
Syringic acid

>  <Catalog Number> (296)
S3629

>  <Synonyms> (296)
3,5-dimethyl ether Gallic Acid, 3,5-dimethoxy-4-hydroxy Benzoic Acid, NSC 2129, SYRA

>  <Target> (296)
Others

>  <Form> (296)
free base

>  <URL> (296)
http://www.selleckchem.com/products/syringic-acid.html

>  <CAS Number> (296)
530-57-4

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/10101813162D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (297)
3311

>  <Formula> (297)
C17H19FN2O7S

>  <MolWeight> (297)
414.4053632

>  <Item Name> (297)
Pazufloxacin mesylate

>  <Catalog Number> (297)
S3621

>  <Synonyms> (297)
T-3762, Pazucross

>  <Target> (297)
Antifection

>  <Form> (297)
methanesulfonate

>  <URL> (297)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (297)
163680-77-1

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/10101813162D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    2.3820    6.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048    5.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099    7.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7370    8.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3697    8.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9902    0.8330    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    9.2280    5.5993    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
  2 26  1  6  0  0  0
M  END
>  <Mol_ID> (298)
3324

>  <Formula> (298)
C16H17KN2O5S

>  <MolWeight> (298)
388.47988

>  <Item Name> (298)
Penicillin V potassium salt

>  <Catalog Number> (298)
S3650

>  <Synonyms> (298)
Phenoxymethylpenicillin potassium salt

>  <Target> (298)
Antifection

>  <Form> (298)
potassium salt

>  <URL> (298)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (298)
132-98-9

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/10101813162D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    5.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4044    2.5401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    3.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    3.5301    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9612    3.5679    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  7  6  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
  3 18  1  1  0  0  0
  2 19  1  0  0  0  0
 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (299)
3325

>  <Formula> (299)
C7H10N3NaO6S

>  <MolWeight> (299)
287.22557

>  <Item Name> (299)
Avibactam sodium

>  <Catalog Number> (299)
S3732

>  <Synonyms> (299)
AVE-1330A, NXL104

>  <Target> (299)
 ¦Â-lactamase

>  <Form> (299)
sodium salt

>  <URL> (299)
http://www.selleckchem.com/products/avibactam-sodium.html

>  <CAS Number> (299)
1192491-61-4

$$$$
S3645 Kitasamycin.cdx
csChFnd80/10101813162D

 55 57  0  0  0  0  0  0  0  0999 V2000
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  1  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
    3.6373    7.0000    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
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  3  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
    6.0622    2.8000    0.0000 C   0  0  2  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    2.1000    0.0000 O   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
    1.2124    2.8000    0.0000 C   0  0  1  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
    2.4249    2.1000    0.0000 O   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
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  3  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
   12.1244    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0180    6.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    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    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  3  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
   18.1865    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1828    9.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9220    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9019    9.3900    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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  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  6  0  0  0
 14 17  1  0  0  0  0
  6 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 23 24  2  0  0  0  0
 11 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 30  1  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 28 33  1  0  0  0  0
 27 34  1  0  0  0  0
 33 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 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 37 43  1  0  0  0  0
 38 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
  9 51  1  6  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END
>  <Mol_ID> (300)
3326

>  <Formula> (300)
C40H67NO14

>  <MolWeight> (300)
785.95828

>  <Item Name> (300)
Kitasamycin

>  <Catalog Number> (300)
S3645

>  <Synonyms> (300)
leucomycin

>  <Target> (300)
Antifection

>  <Form> (300)
free base

>  <URL> (300)
http://www.selleckchem.com/products/kitasamycin.html

>  <CAS Number> (300)
1392-21-8

$$$$
S3646 Thimerosal.cdx
csChFnd80/10101813162D

 14 13  0  0  0  0  0  0  0  0999 V2000
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 Hg  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
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  5  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
    6.0752    2.1502    0.0000 Na  0  3  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
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (301)
3327

>  <Formula> (301)
C9H9HgNaO2S

>  <MolWeight> (301)
404.81133

>  <Item Name> (301)
Thimerosal

>  <Catalog Number> (301)
S3646

>  <Synonyms> (301)
Thiomersalate, Mercurothiolate

>  <Target> (301)
Antifection

>  <Form> (301)
sodium salt

>  <URL> (301)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (301)
54-64-8

$$$$
S3676 Carbendazim.cdx
csChFnd80/10101813162D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4531    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    0.3077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    2.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5972    1.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9970    1.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6817    2.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0799    2.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9643    3.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7634    3.9449    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  7  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (302)
3330

>  <Formula> (302)
C9H9N3O2

>  <MolWeight> (302)
191.18666

>  <Item Name> (302)
Carbendazim

>  <Catalog Number> (302)
S3676

>  <Synonyms> (302)
Mercarzole, Carbendazole

>  <Target> (302)
Others

>  <Form> (302)
free base

>  <URL> (302)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (302)
10605-21-7

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10101813162D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    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
    3.6373    4.2000    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
    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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   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
    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
    6.0622    4.2000    0.0000 O   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
  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
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  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (303)
3332

>  <Formula> (303)
C11H8O3

>  <MolWeight> (303)
188.17942

>  <Item Name> (303)
2-Methoxy-1,4-naphthoquinone

>  <Catalog Number> (303)
S3661

>  <Synonyms> (303)
N/A

>  <Target> (303)
PKC

>  <Form> (303)
free base

>  <URL> (303)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

>  <CAS Number> (303)
2348-82-5

$$$$
S3667 Imipenem.cdx
csChFnd80/10101813162D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.5166    2.8041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8537    2.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6800    3.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8584    4.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154    4.2026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1059    4.2026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1059    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2842    1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8809    5.9088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2898    5.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9851    7.1131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7059    4.2026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2964    5.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9990    2.1463    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
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  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
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  2  8  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
  6 18  1  0  0  0  0
  6 21  1  1  0  0  0
  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (304)
3335

>  <Formula> (304)
C12H19N3O5S

>  <MolWeight> (304)
317.36136

>  <Item Name> (304)
Imipenem

>  <Catalog Number> (304)
S3667

>  <Synonyms> (304)
N/A

>  <Target> (304)
AmpC ¦Â-lactamase

>  <Form> (304)
hydrate

>  <URL> (304)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (304)
74431-23-5

$$$$
S3670 Cefsulodin (sodium).cdx
csChFnd80/10101813162D

 38 40  0  0  0  0  0  0  0  0999 V2000
    8.7949    2.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    4.2722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0166    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3699    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3725    4.2895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0203    4.9956    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2752    2.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0166    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3800    1.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825    5.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2754    4.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4877    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2318    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   17.3108    6.3019    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
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  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
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 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 17 22  1  1  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
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 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 30  2  0  0  0  0
 25 31  1  0  0  0  0
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 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
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 33 36  2  0  0  0  0
  2 38  1  6  0  0  0
M  END
>  <Mol_ID> (305)
3336

>  <Formula> (305)
C22H19N4NaO8S2

>  <MolWeight> (305)
554.52803

>  <Item Name> (305)
Cefsulodin sodium

>  <Catalog Number> (305)
S3670

>  <Synonyms> (305)
Sulcephalosporin

>  <Target> (305)
mPTPB

>  <Form> (305)
sodium salt

>  <URL> (305)
http://www.selleckchem.com/products/cefsulodin-sodium.html

>  <CAS Number> (305)
52152-93-9

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/10101813162D

 38 39  0  0  0  0  0  0  0  0999 V2000
   15.9036   10.1746    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.2786    7.2579    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.7920    4.3631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0022    5.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2195    4.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2241    2.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0054    2.2529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7811    2.9545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3877    2.9501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3832    4.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9977    6.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2144    7.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7896    7.1563    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.4231    5.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (306)
3337

>  <Formula> (306)
C18H16N6Na2O8S3

>  <MolWeight> (306)
586.52958

>  <Item Name> (306)
Cefonicid sodium

>  <Catalog Number> (306)
S3672

>  <Synonyms> (306)
Cefonicid sodium

>  <Target> (306)
Antifection

>  <Form> (306)
disodium salt

>  <URL> (306)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (306)
61270-78-8

$$$$
S3713 Moxidectin.cdx
csChFnd80/10101813162D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (307)
3346

>  <Formula> (307)
C37H53NO8

>  <MolWeight> (307)
639.81862

>  <Item Name> (307)
Moxidectin

>  <Catalog Number> (307)
S3713

>  <Synonyms> (307)
milbemycin B

>  <Target> (307)
Antifection

>  <Form> (307)
free base

>  <URL> (307)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (307)
113507-06-5

$$$$
S3728 Grazoprevir.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (308)
3350

>  <Formula> (308)
C38H50N6O9S

>  <MolWeight> (308)
766.9034

>  <Item Name> (308)
Grazoprevir

>  <Catalog Number> (308)
S3728

>  <Synonyms> (308)
MK5172

>  <Target> (308)
Hepatitis C Virus NS3/4A Protease

>  <Form> (308)
free base

>  <URL> (308)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (308)
1350514-68-9

$$$$
S3636 Cefadroxil (hydrate).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (309)
3354

>  <Formula> (309)
C16H19N3O6S

>  <MolWeight> (309)
381.40356

>  <Item Name> (309)
Cefadroxil hydrate

>  <Catalog Number> (309)
S3636

>  <Synonyms> (309)
N/A

>  <Target> (309)
Antifection

>  <Form> (309)
hydrate

>  <URL> (309)
http://www.selleckchem.com/products/cefadroxil-hydrate.html

>  <CAS Number> (309)
66592-87-8

$$$$
S3637 Cefpirome (sulfate).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (310)
3355

>  <Formula> (310)
C22H24N6O9S3

>  <MolWeight> (310)
612.65576

>  <Item Name> (310)
Cefpirome sulfate

>  <Catalog Number> (310)
S3637

>  <Synonyms> (310)
N/A

>  <Target> (310)
Antifection

>  <Form> (310)
sulfate

>  <URL> (310)
http://www.selleckchem.com/products/cefpirome-sulfate.html

>  <CAS Number> (310)
98753-19-6

$$$$
S3638 Cefamandole (nafate).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (311)
3356

>  <Formula> (311)
C19H17N6NaO6S2

>  <MolWeight> (311)
512.49465

>  <Catalog Number> (311)
S3638

>  <Synonyms> (311)
N/A

>  <Target> (311)
penicillin-binding proteins

>  <Form> (311)
sodium salt

>  <URL> (311)
http://www.selleckchem.com/products/cefamandole-nafate.html

>  <CAS Number> (311)
42540-40-9

$$$$
S3641 Osalmid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (312)
3358

>  <Formula> (312)
C13H11NO3

>  <MolWeight> (312)
229.23134

>  <Item Name> (312)
Osalmid

>  <Catalog Number> (312)
S3641

>  <Synonyms> (312)
N/A

>  <Target> (312)
ribonucleotide reductase

>  <Form> (312)
free base

>  <URL> (312)
http://www.selleckchem.com/products/osalmid.html

>  <CAS Number> (312)
526-18-1

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (313)
3359

>  <Formula> (313)
C11H12N4O3S

>  <MolWeight> (313)
280.30298

>  <Item Name> (313)
Sulfamonomethoxine

>  <Catalog Number> (313)
S3644

>  <Synonyms> (313)
N/A

>  <Target> (313)
Antifection

>  <Form> (313)
free base

>  <URL> (313)
http://www.selleckchem.com/products/sulfamonomethoxine.html

>  <CAS Number> (313)
1220-83-3

$$$$
S3649 Ceftazidime.cdx
csChFnd80/10101813162D

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 27 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
>  <Mol_ID> (314)
3362

>  <Formula> (314)
C22H22N6O7S2

>  <MolWeight> (314)
546.57608

>  <Item Name> (314)
Ceftazidime

>  <Catalog Number> (314)
S3649

>  <Synonyms> (314)
N/A

>  <Target> (314)
Antifection

>  <Form> (314)
inner salt

>  <URL> (314)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (314)
72558-82-8

$$$$
S3651 4-Amino-5-imidazolecarboxamide.cdx
csChFnd80/10101813162D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.0885    2.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    3.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    0.6656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908    4.6430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7565    0.6906    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  9  1  0  0  0  0
M  END
>  <Mol_ID> (315)
3363

>  <Formula> (315)
C4H6N4O

>  <MolWeight> (315)
126.11664

>  <Item Name> (315)
4-Amino-5-imidazolecarboxamide

>  <Catalog Number> (315)
S3651

>  <Synonyms> (315)
N/A

>  <Target> (315)
Others

>  <Form> (315)
free base

>  <URL> (315)
http://www.selleckchem.com/products/4-amino-5-imidazolecarboxamide.html

>  <CAS Number> (315)
360-97-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/10101813162D

 36 36  0  0  0  0  0  0  0  0999 V2000
    8.3107    2.7987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3107    4.1953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5236    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    2.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    4.1953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5241    4.8937    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7408    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5236    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9162    1.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9162    5.1852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7413    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9533    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    0.0004    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5639    4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1650    2.7975    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5740    5.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2016    3.4706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3414    3.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5006    3.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7326    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363    7.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    5.4505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1652    5.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4999    4.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    8.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2452    7.6699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8593    4.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8254    9.4287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    9.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070    3.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647    9.9492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9493    5.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7991    6.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.7737    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.7737    0.0000 Cl  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  1  0  0  0  0
  2 33  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  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
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 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
 17 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (316)
3365

>  <Formula> (316)
C19H28Cl2N6O6S2

>  <MolWeight> (316)
571.49822

>  <Item Name> (316)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (316)
S3655

>  <Synonyms> (316)
N/A

>  <Target> (316)
Antifection

>  <Form> (316)
dihydrochloride hydrate

>  <URL> (316)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (316)
123171-59-5

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/10101813162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.4337    4.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2995    5.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    5.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1227    6.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    5.5344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2323    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    4.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592    6.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4541    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055    7.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401    6.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029    8.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    7.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    8.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4406    0.0000 N   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
  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  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 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
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (317)
3372

>  <Formula> (317)
C15H14N4O2S

>  <MolWeight> (317)
314.36226

>  <Item Name> (317)
Sulfaphenazole

>  <Catalog Number> (317)
S3673

>  <Synonyms> (317)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (317)
CYP2C9

>  <Form> (317)
free base

>  <URL> (317)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (317)
526-08-9

$$$$
S3705 Chlorobutanol.cdx
csChFnd80/10101813162D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 Cl  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  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
>  <Mol_ID> (318)
3382

>  <Formula> (318)
C4H7Cl3O

>  <MolWeight> (318)
177.45678

>  <Item Name> (318)
Chlorobutanol

>  <Catalog Number> (318)
S3705

>  <Synonyms> (318)
Chlorbutol, Chloreton, Chloretone, Chlortran|

>  <Target> (318)
Antifection

>  <Form> (318)
free base

>  <URL> (318)
http://www.selleckchem.com/products/chlorobutanol.html

>  <CAS Number> (318)
57-15-8

$$$$
S3722 Isavuconazole.cdx
csChFnd80/10101813162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.3607    6.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859    4.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6040    3.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9969    3.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    5.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7536    6.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    4.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6672    6.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0379    6.2478    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    5.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8971    4.2908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1769    4.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3894    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5996    4.8510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9003    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3894    2.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3003    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7003    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4003    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7003    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3003    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4003    4.8497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8120    5.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2837    8.7904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0713    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309    8.5536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9927    7.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  3  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
  9 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11  5  1  0  0  0  0
 14 17  1  1  0  0  0
 15 18  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
 23 18  2  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  0  0  0  0
 15 26  1  1  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  1  0  0  0  0
 16 30  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (319)
3389

>  <Formula> (319)
C22H17F2N5OS

>  <MolWeight> (319)
437.4650864

>  <Item Name> (319)
Isavuconazole

>  <Catalog Number> (319)
S3722

>  <Synonyms> (319)
BAL-4815, RO-0094815

>  <Target> (319)
Antifection

>  <Form> (319)
free base

>  <URL> (319)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (319)
241479-67-4

$$$$
S3724 Velpatasvir.cdx
csChFnd80/10101813162D

 65 73  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.8239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.2239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (320)
3391

>  <Formula> (320)
C49H54N8O8

>  <MolWeight> (320)
883.00186

>  <Item Name> (320)
Velpatasvir

>  <Catalog Number> (320)
S3724

>  <Synonyms> (320)
GS-5816

>  <Target> (320)
NS5A

>  <Form> (320)
free base

>  <URL> (320)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (320)
1377049-84-7

$$$$
S3746 Lumefantrine.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (321)
3396

>  <Formula> (321)
C30H32Cl3NO

>  <MolWeight> (321)
528.94018

>  <Item Name> (321)
Lumefantrine

>  <Catalog Number> (321)
S3746

>  <Synonyms> (321)
benflumetol

>  <Target> (321)
Antifection

>  <Form> (321)
free base

>  <URL> (321)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (321)
82186-77-4

$$$$
S3689 Ethidium bromide.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (322)
3399

>  <Formula> (322)
C21H20BrN3

>  <MolWeight> (322)
394.3076

>  <Item Name> (322)
Ethidium bromide

>  <Catalog Number> (322)
S3689

>  <Synonyms> (322)
Homidium bromide, EtBr, EB

>  <Target> (322)
Others

>  <Form> (322)
bromide

>  <URL> (322)
http://www.selleckchem.com/products/ethidium-bromide.html

>  <CAS Number> (322)
1239-45-8

$$$$
S3707 Ethopabate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (323)
3401

>  <Formula> (323)
C12H15NO4

>  <MolWeight> (323)
237.2518

>  <Item Name> (323)
Ethopabate

>  <Catalog Number> (323)
S3707

>  <Synonyms> (323)
Ethyl pabate

>  <Target> (323)
Antifection

>  <Form> (323)
free base

>  <URL> (323)
http://www.selleckchem.com/products/ethopabate.html

>  <CAS Number> (323)
59-06-3

$$$$
S3708 Sulfachloropyridazine.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (324)
3402

>  <Formula> (324)
C10H9ClN4O2S

>  <MolWeight> (324)
284.72206

>  <Item Name> (324)
Sulfachloropyridazine

>  <Catalog Number> (324)
S3708

>  <Synonyms> (324)
N/A

>  <Target> (324)
Antifection

>  <Form> (324)
free base

>  <URL> (324)
http://www.selleckchem.com/products/sulfachloropyridazine.html

>  <CAS Number> (324)
80-32-0

$$$$
S3709 Furagin.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.3854    2.7360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1990    2.1450    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
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M  END
>  <Mol_ID> (325)
3403

>  <Formula> (325)
C10H8N4O5

>  <MolWeight> (325)
264.19432

>  <Item Name> (325)
Furagin

>  <Catalog Number> (325)
S3709

>  <Synonyms> (325)
NF-416, F-35, Akritoin, Furazidin, Furazidine

>  <Target> (325)
Antifection

>  <Form> (325)
free base

>  <URL> (325)
http://www.selleckchem.com/products/furagin.html

>  <CAS Number> (325)
1672-88-4

$$$$
S3712 Tulathromycin A.cdx
csChFnd80/10101813162D

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (326)
3410

>  <Formula> (326)
C41H79N3O12

>  <MolWeight> (326)
806.07886

>  <Item Name> (326)
Tulathromycin A

>  <Catalog Number> (326)
S3712

>  <Synonyms> (326)
N/A

>  <Target> (326)
Antifection

>  <Form> (326)
free base

>  <URL> (326)
http://www.selleckchem.com/products/tulathromycin-a.html

>  <CAS Number> (326)
217500-96-4

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/10101813162D

 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (327)
3415

>  <Formula> (327)
C27H45N5O5

>  <MolWeight> (327)
519.6767

>  <Item Name> (327)
Boceprevir

>  <Catalog Number> (327)
S3733

>  <Synonyms> (327)
N/A

>  <Target> (327)
hepatitis C virus (HCV) protease

>  <Form> (327)
free base

>  <URL> (327)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (327)
394730-60-0

$$$$
S3750 Sodium benzoate.cdx
csChFnd80/10101813162D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2300    2.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0217    4.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    4.8855    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008    4.9819    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (328)
3418

>  <Formula> (328)
C7H5NaO2

>  <MolWeight> (328)
144.10317

>  <Item Name> (328)
Sodium benzoate

>  <Catalog Number> (328)
S3750

>  <Synonyms> (328)
Benzoic acid sodium salt

>  <Target> (328)
Antifection

>  <Form> (328)
sodium salt

>  <URL> (328)
http://www.selleckchem.com/products/sodium-benzoate.html

>  <CAS Number> (328)
532-32-1

$$$$
S3741 Benznidazole.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9726    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    3.6202    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.6102    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6010    2.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8093    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    2.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2352    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2357    4.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4482    2.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4479    3.8819    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  1  0  0  0  0
  2  5  2  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  7  1  0  0  0  0
  6  9  2  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (329)
3432

>  <Formula> (329)
C12H12N4O3

>  <MolWeight> (329)
260.24868

>  <Item Name> (329)
Benznidazole

>  <Catalog Number> (329)
S3741

>  <Synonyms> (329)
Radanil

>  <Target> (329)
Antifection

>  <Form> (329)
free base

>  <URL> (329)
http://www.selleckchem.com/products/benznidazole.html

>  <CAS Number> (329)
22994-85-0

$$$$
Cinchonine.cdx
csChFnd80/10101813162D

 24 27  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
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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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    3.8087    5.0754    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    4.6610    6.1861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.6610    7.5861    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.2361    7.5861    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
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  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  7 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
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
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 19 24  1  1  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (330)
3437

>  <Formula> (330)
C19H22N2O

>  <MolWeight> (330)
294.39078

>  <Catalog Number> (330)
S2283

>  <Synonyms> (330)
N/A

>  <Target> (330)
Others

>  <Form> (330)
free base

>  <URL> (330)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (330)
118-10-5

$$$$
S3643 Amitraz.cdx
csChFnd80/10101813162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6464    2.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8599    2.8247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094    2.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    4.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094    0.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2841    2.8252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0255    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
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 10 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 18  2  0  0  0  0
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 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (331)
3442

>  <Formula> (331)
C19H23N3

>  <MolWeight> (331)
293.40602

>  <Item Name> (331)
Amitraz

>  <Catalog Number> (331)
S3643

>  <Synonyms> (331)
NSC 324552

>  <Target> (331)
¦Á2 adrenergic receptor

>  <Form> (331)
free base

>  <URL> (331)
http://www.selleckchem.com/products/amitraz.html

>  <CAS Number> (331)
33089-61-1

$$$$
S3788 Carvacrol.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    3.6373    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
  1  6  2  0  0  0  0
  2  7  1  0  0  0  0
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  8 10  1  0  0  0  0
  5  8  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (332)
3537

>  <Formula> (332)
C10H14O

>  <MolWeight> (332)
150.21756

>  <Item Name> (332)
Carvacrol

>  <Catalog Number> (332)
S3788

>  <Synonyms> (332)
cymophenol

>  <Target> (332)
Others

>  <Form> (332)
free base

>  <URL> (332)
http://www.selleckchem.com/products/carvacrol.html

>  <CAS Number> (332)
499-75-2

$$$$
S3787 Picroside I.cdx
csChFnd80/10101813162D

 38 42  0  0  0  0  0  0  0  0999 V2000
   15.8873    5.8563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7069    6.9896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5571    6.2863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2798    5.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5998    4.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8844    8.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5571    7.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    5.5857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3143    9.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    8.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    4.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1261    6.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1468    7.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1282    3.4866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9238    4.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3406    2.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3712    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  6  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  4  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  6  0  0  0
  6  9  1  6  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
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  8 11  1  6  0  0  0
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 10 13  2  0  0  0  0
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 14 15  1  0  0  0  0
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 17 20  1  0  0  0  0
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 18 22  1  1  0  0  0
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 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
  5 27  1  0  0  0  0
 14 28  1  6  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 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 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (333)
3544

>  <Formula> (333)
C24H28O11

>  <MolWeight> (333)
492.47252

>  <Item Name> (333)
Picroside I

>  <Catalog Number> (333)
S3787

>  <Synonyms> (333)
6'-Cinnamoylcatalpol

>  <Target> (333)
Antifection

>  <Form> (333)
free base

>  <URL> (333)
http://www.selleckchem.com/products/picroside-i.html

>  <CAS Number> (333)
27409-30-9

$$$$
S3911 Veratramine.cdx
csChFnd80/10101813162D

 33 37  0  0  0  0  0  0  0  0999 V2000
    4.8426    2.8419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0383    2.1630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6410    2.1210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1191    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417    3.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0383    0.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    2.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    3.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4770    4.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4416    3.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018    2.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2820    5.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2828    4.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018    0.7210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6820    5.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173    6.8013    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
    9.4391    6.5608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8389    6.4828    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8020    7.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4396    5.2813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5178    7.6423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7975    5.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7186    4.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9177    7.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5607    6.3207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9605    6.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    1.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0383    3.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    7.9008    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 31  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 32  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  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  1  1  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  6  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 33  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  1  1  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (334)
3546

>  <Formula> (334)
C27H39NO2

>  <MolWeight> (334)
409.60406

>  <Item Name> (334)
Veratramine

>  <Catalog Number> (334)
S3911

>  <Synonyms> (334)
NSC 17821, NSC 23880

>  <Target> (334)
Sodium Channel

>  <Form> (334)
free base

>  <URL> (334)
http://www.selleckchem.com/products/veratramine.html

>  <CAS Number> (334)
60-70-8

$$$$
S3757 2'-Deoxyinosine.cdx
csChFnd80/10101813162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.7417    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    5.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    3.8724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5849    6.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    4.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    2.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    7.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    7.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    1.6064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4829    2.0314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0163    7.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    9.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115    1.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  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  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (335)
3557

>  <Formula> (335)
C10H12N4O4

>  <MolWeight> (335)
252.22668

>  <Item Name> (335)
2'-Deoxyinosine

>  <Catalog Number> (335)
S3757

>  <Synonyms> (335)
Guanine deoxyriboside, Deoxyinosine

>  <Target> (335)
Others

>  <Form> (335)
free base

>  <URL> (335)
http://www.selleckchem.com/products/2-deoxyinosine.html

>  <CAS Number> (335)
890-38-0

$$$$
S3860 Allicin.cdx
csChFnd80/10101813162D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.7322    0.8980    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    4.8638    0.1715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322    2.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619    0.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3278    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5877    0.5768    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
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (336)
3559

>  <Formula> (336)
C6H10OS2

>  <MolWeight> (336)
162.273

>  <Item Name> (336)
Allicin

>  <Catalog Number> (336)
S3860

>  <Synonyms> (336)
diallyl thiosulfinate

>  <Target> (336)
Others

>  <Form> (336)
free base

>  <URL> (336)
http://www.selleckchem.com/products/allicin.html

>  <CAS Number> (336)
539-86-6

$$$$
S4766 Gibberellic acid.cdx
csChFnd80/10101813162D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.0513    4.4188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4356    4.5089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7071    3.0620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3133    5.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    3.2067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3077    5.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.3267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3503    2.6905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7139    4.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    3.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    1.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    0.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    3.6720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0100    4.6769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2159    4.1022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4036    2.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5729    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6003    1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960    1.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733    5.8612    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  6  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  9 16  1  0  0  0  0
  9 10  1  6  0  0  0
  9 26  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  1  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  6  0  0  0
 18 19  1  1  0  0  0
 19 24  2  0  0  0  0
  2 27  1  1  0  0  0
M  CFW  22 BOND_GSTEREO 5
M  END
>  <Mol_ID> (337)
3568

>  <Formula> (337)
C19H22O6

>  <MolWeight> (337)
346.37438

>  <Item Name> (337)
Gibberellic acid

>  <Catalog Number> (337)
S4766

>  <Synonyms> (337)
Gibberellin, Gibberellin A3, GA3

>  <Target> (337)
Others

>  <Form> (337)
free base

>  <URL> (337)
http://www.selleckchem.com/products/gibberellic-acid.html

>  <CAS Number> (337)
77-06-5

$$$$
S3948 Spermine.cdx
csChFnd80/10101813162D

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4125    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 N   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
    4.8497    0.7000    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 N   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  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 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
M  END
>  <Mol_ID> (338)
3569

>  <Formula> (338)
C10H26N4

>  <MolWeight> (338)
202.34024

>  <Item Name> (338)
Spermine

>  <Catalog Number> (338)
S3948

>  <Synonyms> (338)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (338)
Others

>  <Form> (338)
free base

>  <URL> (338)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (338)
71-44-3

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/10101813162D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.8345    2.1470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2345    2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808    0.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    3.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    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  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (339)
3572

>  <Formula> (339)
C3H6N2O2

>  <MolWeight> (339)
102.09194

>  <Item Name> (339)
L-Cycloserine

>  <Catalog Number> (339)
S3945

>  <Synonyms> (339)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (339)
3-ketodihydrosphingosine synthetase

>  <Form> (339)
free base

>  <URL> (339)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (339)
339-72-0

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/10101813162D

 27 24  0  0  0  0  0  0  0  0999 V2000
   14.4179    1.7498    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   13.3505    3.0039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1744    3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9389    3.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1744    5.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272    3.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    3.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2805    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0570    3.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8573    3.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    3.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3400    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1638    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9284    0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1638    2.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  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
 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  2  0  0  0  0
M  END
>  <Mol_ID> (340)
3575

>  <Formula> (340)
C22H38O4Zn

>  <MolWeight> (340)
431.92472

>  <Item Name> (340)
Zinc Undecylenate

>  <Catalog Number> (340)
S3979

>  <Synonyms> (340)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (340)
Antifection

>  <Form> (340)
zinc salt

>  <URL> (340)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (340)
557-08-4

$$$$
S3778 Patchouli alcohol.cdx
csChFnd80/10101813162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.8974    2.2469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7063    4.1351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2171    1.6063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2324    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400    3.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    4.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    4.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011    0.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    2.5051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8667    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    1.3982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3043    3.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4005    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    4.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0822    2.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648    1.2439    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  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 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  1  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  1  0  0  0
  1 17  1  6  0  0  0
  3 18  1  6  0  0  0
M  END
>  <Mol_ID> (341)
3612

>  <Formula> (341)
C15H26O

>  <MolWeight> (341)
222.36634

>  <Item Name> (341)
Patchouli alcohol

>  <Catalog Number> (341)
S3778

>  <Synonyms> (341)
(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor

>  <Target> (341)
Immunology & Inflammation related

>  <Form> (341)
free base

>  <URL> (341)
http://www.selleckchem.com/products/patchouli-alcohol.html

>  <CAS Number> (341)
5986-55-0

$$$$
S3926 Forsythin.cdx
csChFnd80/10101813162D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9853    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    7.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    5.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    8.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4101    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    7.5942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    9.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6220    2.8036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6209    4.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8350    2.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8328    4.9046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0470    2.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8362    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0459    4.2055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8317    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2600    2.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2578    4.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0436    7.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    3.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4047    6.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9863    0.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7744    0.0000    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  1  0  0  0  0
  1 37  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 22  1  6  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  1  0  0  0
 29 32  1  0  0  0  0
 29 33  1  6  0  0  0
 30 34  1  6  0  0  0
 30 32  1  0  0  0  0
 32 35  1  1  0  0  0
 33 36  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (342)
3642

>  <Formula> (342)
C27H34O11

>  <MolWeight> (342)
534.55226

>  <Item Name> (342)
Forsythin

>  <Catalog Number> (342)
S3926

>  <Synonyms> (342)
Phillyrin

>  <Target> (342)
Others

>  <Form> (342)
free base

>  <URL> (342)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (342)
487-41-2

$$$$
S3910 4',7-Dimethoxyisoflavone.cdx
csChFnd80/10101813162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    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
    6.0622    2.1000    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    4.9000    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
    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
    2.4249    2.8000    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    4.2000    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
    1.2124    4.9000    0.0000 O   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
    8.4871    0.7000    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
   10.9119    2.1000    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
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  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
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (343)
3655

>  <Formula> (343)
C17H14O4

>  <MolWeight> (343)
282.29066

>  <Item Name> (343)
4',7-Dimethoxyisoflavone

>  <Catalog Number> (343)
S3910

>  <Synonyms> (343)
N/A

>  <Target> (343)
Others

>  <Form> (343)
free base

>  <URL> (343)
http://www.selleckchem.com/products/4-7-dimethoxyisoflavone.html

>  <CAS Number> (343)
1157-39-7

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10101813162D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0787    3.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    5.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2868    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2092    2.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1172    4.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4255    6.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1280    6.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    4.0681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9054    6.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    6.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    6.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975    4.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9011    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  1  6  0  0  0
  3  9  1  1  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  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
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (344)
3683

>  <Formula> (344)
C20H16N2O5

>  <MolWeight> (344)
364.35144

>  <Item Name> (344)
Hydroxy Camptothecine

>  <Catalog Number> (344)
S3898

>  <Synonyms> (344)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (344)
DNA topoisomerase I

>  <Form> (344)
free base

>  <URL> (344)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (344)
64439-81-2

$$$$
S4781 Xanthoxyline.cdx
csChFnd80/10101813162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    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    0.0000    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
    3.6373    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
    2.4249    0.7000    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
    2.4249    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
    7.2746    2.1000    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
    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
  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
  5  9  1  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  9  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (345)
3726

>  <Formula> (345)
C10H12O4

>  <MolWeight> (345)
196.19988

>  <Item Name> (345)
Xanthoxyline

>  <Catalog Number> (345)
S4781

>  <Synonyms> (345)
Brevifolin

>  <Target> (345)
Others

>  <Form> (345)
free base

>  <URL> (345)
http://www.selleckchem.com/products/xanthoxyline.html

>  <CAS Number> (345)
90-24-4

$$$$
S3978 5-Phenyl-2,4-pentadienoic acid.cdx
csChFnd80/10101813162D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8465    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456    2.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    0.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814    1.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    4.0386    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  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (346)
3798

>  <Formula> (346)
C11H10O2

>  <MolWeight> (346)
174.1959

>  <Item Name> (346)
5-Phenyl-2,4-pentadienoic acid

>  <Catalog Number> (346)
S3978

>  <Synonyms> (346)
5-Phenylpenta-2,4-dienoic acid

>  <Target> (346)
Others

>  <Form> (346)
free base

>  <URL> (346)
http://www.selleckchem.com/products/5-phenyl-2-4-pentadienoic-acid.html

>  <CAS Number> (346)
1552-94-9

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/10101813162D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.3817    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    1.6481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    4.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6230    3.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    5.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    7.9359    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4106    8.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8271    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9817    2.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    2.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    3.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    5.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0395    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9942    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700    2.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    0.2466    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  1  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  4  1  0  0  0  0
  1  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 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  2  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
 12 31  2  0  0  0  0
 12 32  1  0  0  0  0
 16 33  1  0  0  0  0
 28 34  1  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 28  2  0  0  0  0
M  END
>  <Mol_ID> (347)
3800

>  <Formula> (347)
C20H22N4O10S

>  <MolWeight> (347)
510.47448

>  <Item Name> (347)
Cefuroxime axetil

>  <Catalog Number> (347)
S4813

>  <Synonyms> (347)
N/A

>  <Target> (347)
Antifection

>  <Form> (347)
free base

>  <URL> (347)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (347)
64544-07-6

$$$$
S4843 Potassium acetate.cdx
csChFnd80/10101813162D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <Mol_ID> (348)
3803

>  <Formula> (348)
C2H3KO2

>  <MolWeight> (348)
98.14232

>  <Item Name> (348)
Potassium acetate

>  <Catalog Number> (348)
S4843

>  <Synonyms> (348)
Diuretic salt, Potassium ethanoate

>  <Target> (348)
Others

>  <Form> (348)
potassium salt

>  <URL> (348)
http://www.selleckchem.com/products/potassium-acetate.html

>  <CAS Number> (348)
127-08-2

$$$$
S4844 Cefcapene Pivoxil Hydrochloride.cdx
csChFnd80/10101813162D

 41 41  0  0  0  0  0  0  0  0999 V2000
    9.8469    3.9919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8469    5.3985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0326    3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    3.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    5.3985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0326    6.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    3.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    3.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2176    6.2751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5073    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2405    1.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8469    1.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    5.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633    4.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4703    1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    6.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7224    1.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837    5.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5439    6.1939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8714    6.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    4.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611    6.0616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    8.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1823    1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    3.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062    3.8298    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331    5.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3826    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6003    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8837    6.6799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352    0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7052    1.6925    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    9.7223    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  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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M  END
>  <Mol_ID> (349)
3804

>  <Formula> (349)
C23H32ClN5O9S2

>  <MolWeight> (349)
622.11128

>  <Item Name> (349)
Cefcapene Pivoxil Hydrochloride

>  <Catalog Number> (349)
S4844

>  <Synonyms> (349)
N/A

>  <Target> (349)
Others

>  <Form> (349)
hydrochloride, hydrate

>  <URL> (349)
http://www.selleckchem.com/products/cefcapene-pivoxil-hydrochloride.html

>  <CAS Number> (349)
147816-24-8

$$$$
S5005 Cefotiam hydrochloride.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (350)
3805

>  <Formula> (350)
C18H25Cl2N9O4S3

>  <MolWeight> (350)
598.55

>  <Item Name> (350)
Cefotiam hydrochloride

>  <Catalog Number> (350)
S5005

>  <Synonyms> (350)
Cefotiam dihydrochloride, Halospor, Pansporin, Pansporine

>  <Target> (350)
Antifection

>  <Form> (350)
dihydrochloride

>  <URL> (350)
http://www.selleckchem.com/products/cefotiam-hydrochloride.html

>  <CAS Number> (350)
66309-69-1

$$$$
S5009 Brivudine.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9299    3.2877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (351)
3806

>  <Formula> (351)
C11H13BrN2O5

>  <MolWeight> (351)
333.13532

>  <Item Name> (351)
Brivudine

>  <Catalog Number> (351)
S5009

>  <Synonyms> (351)
BVDU

>  <Target> (351)
Antifection

>  <Form> (351)
free base

>  <URL> (351)
http://www.selleckchem.com/products/brivudine.html

>  <CAS Number> (351)
69304-47-8

$$$$
S3999 ¦Á-santonin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (352)
3825

>  <Formula> (352)
C15H18O3

>  <MolWeight> (352)
246.30162

>  <Item Name> (352)
¦Á-santonin

>  <Catalog Number> (352)
S3999

>  <Synonyms> (352)
N/A

>  <Target> (352)
Others

>  <Form> (352)
free base

>  <URL> (352)
http://www.selleckchem.com/products/alpha-santonin.html

>  <CAS Number> (352)
481-06-1

$$$$
S4812 Ceftizoxime.cdx
csChFnd80/10101813162D

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 13  5  2  0  0  0  0
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 16  6  2  0  0  0  0
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M  END
>  <Mol_ID> (353)
3826

>  <Formula> (353)
C13H13N5O5S2

>  <MolWeight> (353)
383.40282

>  <Item Name> (353)
Ceftizoxime

>  <Catalog Number> (353)
S4812

>  <Synonyms> (353)
N/A

>  <Target> (353)
Others

>  <Form> (353)
free base

>  <URL> (353)
http://www.selleckchem.com/products/ceftizoxime.html

>  <CAS Number> (353)
68401-81-0

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (354)
3829

>  <Formula> (354)
C36H35BrN2O6

>  <MolWeight> (354)
671.5769

>  <Item Name> (354)
Bedaquiline fumarate

>  <Catalog Number> (354)
S4854

>  <Synonyms> (354)
TMC-207

>  <Target> (354)
Antifection

>  <Form> (354)
fumarate

>  <URL> (354)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

>  <CAS Number> (354)
845533-86-0

$$$$
S5007 Delamanid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (355)
3834

>  <Formula> (355)
C25H25F3N4O6

>  <MolWeight> (355)
534.4844096

>  <Item Name> (355)
Delamanid

>  <Catalog Number> (355)
S5007

>  <Synonyms> (355)
OPC-67683

>  <Target> (355)
Others

>  <Form> (355)
free base

>  <URL> (355)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (355)
681492-22-8

$$$$
S4978 Azathramycin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (356)
3840

>  <Formula> (356)
C37H70N2O12

>  <MolWeight> (356)
734.9579

>  <Item Name> (356)
Azathramycin

>  <Catalog Number> (356)
S4978

>  <Synonyms> (356)
Azaerythromycin A, Azaerythromycin

>  <Target> (356)
Anti-infection

>  <URL> (356)
http://selleckchem.com/products/azathramycin.html

>  <CAS Number> (356)
76801-85-9

$$$$
S5033 Terconazole.cdx
csChFnd80/10101813162D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    4.8401    3.5155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8270    4.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3495    9.9605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    2.1022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7801   11.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0967    9.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6290    6.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7637    3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0526    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    6.3375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6264    4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8465    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    3.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2534    7.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0462    5.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1332    3.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4576    4.1456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6841    6.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5658    5.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    5.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8946    5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2561    6.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    4.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0699    2.6469    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  1  0  0  0
  4  1  1  0  0  0  0
  7  1  1  0  0  0  0
  1  2  1  6  0  0  0
  9  2  1  0  0  0  0
 14  2  2  0  0  0  0
  5  3  1  0  0  0  0
 17  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
  6 13  2  0  0  0  0
  6 12  1  0  0  0  0
 22  7  1  0  0  0  0
  8 16  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 15  9  2  0  0  0  0
 27  9  1  0  0  0  0
 12 10  2  0  0  0  0
 11 21  1  0  0  0  0
 26 11  1  0  0  0  0
 20 11  1  0  0  0  0
 29 14  1  0  0  0  0
 15 25  1  0  0  0  0
 16 23  1  0  0  0  0
 24 16  2  0  0  0  0
 17 31  1  1  0  0  0
 17 22  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 23 33  2  0  0  0  0
 24 32  1  0  0  0  0
 25 29  2  0  0  0  0
 34 25  1  0  0  0  0
 26 35  1  0  0  0  0
 26 36  1  0  0  0  0
 28 31  1  0  0  0  0
 30 28  1  0  0  0  0
 32 30  2  0  0  0  0
 33 30  1  0  0  0  0
M  END
>  <Mol_ID> (357)
3843

>  <Formula> (357)
C26H31Cl2N5O3

>  <MolWeight> (357)
532.46204

>  <Item Name> (357)
Terconazole

>  <Catalog Number> (357)
S5033

>  <Synonyms> (357)
Terazol 3, Terazol 7, Triaconazole, Gyno-Terazol 

>  <Target> (357)
Anti-infection

>  <Form> (357)
free base

>  <URL> (357)
http://selleckchem.com/products/terconazole.html

>  <CAS Number> (357)
67915-31-5

$$$$
S5025 Efinaconazole.cdx
csChFnd80/10101813162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.8724    4.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2803    6.0564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394    7.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    8.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5769    7.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    6.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1812    2.8128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8921    1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    0.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5524    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5133    3.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8575    3.2058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1444    3.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2937    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3145    5.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    3.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    4.6187    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    1.9508    0.0000 O   0  0  0  0  0  0  0  0  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
  2  6  1  0  0  0  0
  1  2  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  1  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
  7 14  1  0  0  0  0
 13  1  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  1  0  0  0
 17 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  6  0  0  0
M  END
>  <Mol_ID> (358)
3856

>  <Formula> (358)
C18H22F2N4O

>  <MolWeight> (358)
348.3902864

>  <Item Name> (358)
Efinaconazole

>  <Catalog Number> (358)
S5025

>  <Synonyms> (358)
KP-103

>  <Target> (358)
Anti-infection

>  <Form> (358)
free base

>  <URL> (358)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (358)
164650-44-6

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/10101813162D

 22 24  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
    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 N   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 N   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
   12.1244    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
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    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
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    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598    1.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397    1.1101    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  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
  1 11  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
 14 15  2  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 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 12 21  2  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (359)
3858

>  <Formula> (359)
C14H11N4NaO2S

>  <MolWeight> (359)
322.31751

>  <Item Name> (359)
Sulfaquinoxaline sodium

>  <Catalog Number> (359)
S5031

>  <Synonyms> (359)
SQ-Na

>  <Target> (359)
Anti-infection

>  <Form> (359)
sodium salt

>  <URL> (359)
http://selleckchem.com/products/sulfaquinoxaline-sodium.html

>  <CAS Number> (359)
967-80-6

$$$$
S5036 Nisin.cdx
csChFnd80/10101813162D

229236  0  0  0  0  0  0  0  0999 V2000
   34.4708   13.4816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.4840   14.9094    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   33.2151   12.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9688   13.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7266   15.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2286   15.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9728   13.5080    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   33.2151   11.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.9688   14.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9728   14.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2286   17.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9065   10.2435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.7301   12.8078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   30.7301   15.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1492    9.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4745   13.5080    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.7301   11.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4745   14.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   34.3521   10.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   32.1047    7.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.9764   13.5080    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.1047    6.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2240    8.3268    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.7341   12.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0740    6.0007    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   33.1492    6.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.2552    7.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7473   11.3804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4784   13.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0740    4.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0563    6.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2552    6.5821    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.5049   10.6931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.1047    4.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0563    7.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1975    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2992    6.0007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5049    9.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2626   11.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1047    3.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1492    4.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0122    8.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0740    8.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2240    4.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1934    6.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.3434    6.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2756    8.5780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7606    8.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2361   12.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1492    2.4980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.0740    2.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1934    4.2563    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   39.3875    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3434    7.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2756    7.1506    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.9934   13.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1934    3.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4932    3.0269    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   40.4187    6.5821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.3875    4.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0599    6.4369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.5179    6.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9804   14.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2240    2.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5638    3.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4799    1.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (360)
3859

>  <Formula> (360)
C143H230N42O37S7

>  <MolWeight> (360)
3354.0705

>  <Item Name> (360)
Nisin

>  <Catalog Number> (360)
S5036

>  <Synonyms> (360)
Ambicin N

>  <Target> (360)
Anti-infection

>  <URL> (360)
http://selleckchem.com/products/nisin.html

>  <CAS Number> (360)
1414-45-5

$$$$
S5055 Milbemycin Oxime.cdx
csChFnd80/10101813162D

 44 47  0  0  0  0  0  0  0  0999 V2000
    6.0419    4.8818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8015    4.1615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8015    2.7210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0419    6.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024    4.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4029   10.4437    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2024    2.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4407    2.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6412    4.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024    6.9224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    9.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4029    9.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024   11.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024    8.3229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0419    0.6804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9237   10.5236    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6412    6.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8015   11.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 41  1  1  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
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 10  2  1  0  0  0  0
  2 26  1  6  0  0  0
  3  4  1  0  0  0  0
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 16  4  2  0  0  0  0
 11  5  1  0  0  0  0
 20  5  2  0  0  0  0
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 14  7  1  0  0  0  0
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 35  8  1  0  0  0  0
 17  9  1  0  0  0  0
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 15 11  1  0  0  0  0
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 29 21  2  0  0  0  0
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 37 22  1  0  0  0  0
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 30 27  1  0  0  0  0
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 28 38  1  6  0  0  0
 34 29  1  0  0  0  0
 31 34  1  0  0  0  0
 34 39  1  6  0  0  0
A   36
R
A   44
R=CH3(80%);R=CH2CH3(20%)
M  END
>  <Mol_ID> (361)
3861

>  <Formula> (361)
C30H40NO7R2

>  <MolWeight> (361)
526.6411

>  <Item Name> (361)
Milbemycin Oxime

>  <Catalog Number> (361)
S5055

>  <Synonyms> (361)
N/A

>  <Target> (361)
Anti-infection

>  <URL> (361)
http://selleckchem.com/products/milbemycin-oxime.html

>  <CAS Number> (361)
129496-10-2

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/10101813162D

 77 78  0  0  0  0  0  0  0  0999 V2000
   10.6352   18.8763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2313   19.0881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1219   20.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6352   17.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7778   17.7738    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8567   16.7713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4030   17.5093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.0957   17.4767    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8598   15.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1105   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (362)
3865

>  <Formula> (362)
C52H90CaO20

>  <MolWeight> (362)
1075.337

>  <Item Name> (362)
Mupirocin calcium

>  <Catalog Number> (362)
S5070

>  <Synonyms> (362)
pseudomonic acid A

>  <Target> (362)
Anti-infection

>  <Form> (362)
calcium salt dihydrate

>  <URL> (362)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (362)
115074-43-6

$$$$
S5086 p-Anisaldehyde.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    0.0000    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
  2  3  2  0  0  0  0
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M  END
>  <Mol_ID> (363)
3869

>  <Formula> (363)
C8H8O2

>  <MolWeight> (363)
136.14792

>  <Item Name> (363)
p-Anisaldehyde

>  <Catalog Number> (363)
S5086

>  <Synonyms> (363)
4-Methoxybenzaldehyde, Anisaldehyde, Anisic aldehyde, P-Methoxybenzaldehyde, 4-Anisaldehyde

>  <Target> (363)
Anti-infection

>  <Form> (363)
free base

>  <URL> (363)
http://selleckchem.com/products/p-anisaldehyde.html

>  <CAS Number> (363)
123-11-5

$$$$
S5094 Maduramycin Ammonium.cdx
csChFnd80/10101813162D

 72 77  0  0  0  0  0  0  0  0999 V2000
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   10.9835    6.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6575    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6062    8.6269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6365    7.3361    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6182    9.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 70  1  1  0  0  0
 43 71  1  1  0  0  0
M  END
>  <Mol_ID> (364)
3873

>  <Formula> (364)
C47H83NO17

>  <MolWeight> (364)
934.15842

>  <Item Name> (364)
Maduramycin Ammonium

>  <Catalog Number> (364)
S5094

>  <Synonyms> (364)
N/A

>  <Target> (364)
Anti-infection

>  <URL> (364)
http://selleckchem.com/products/maduramycin-ammonium.html

>  <CAS Number> (364)
84878-61-5

$$$$
S5096 SulfadiMethoxine sodiuM.cdx
csChFnd80/10101813162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5220    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3096    3.7009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5220    1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (365)
3874

>  <Formula> (365)
C12H13N4NaO4S

>  <MolWeight> (365)
332.31079

>  <Item Name> (365)
SulfadiMethoxine sodium

>  <Catalog Number> (365)
S5096

>  <Synonyms> (365)
Sulfadimethoxydiazine sodium

>  <Target> (365)
Anti-infection

>  <Form> (365)
sodium salt

>  <URL> (365)
http://selleckchem.com/products/sulfadiMethoxine-sodium.html

>  <CAS Number> (365)
1037-50-9

$$$$
S5099 4-Aminophenylarsonic acid.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
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  7  9  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (366)
3875

>  <Formula> (366)
C6H8AsNO3

>  <MolWeight> (366)
217.05422

>  <Item Name> (366)
4-Aminophenylarsonic acid

>  <Catalog Number> (366)
S5099

>  <Synonyms> (366)
Arsanilic acid, p-arsanilic acid

>  <Target> (366)
Anti-infection

>  <Form> (366)
free base

>  <URL> (366)
http://selleckchem.com/products/4-aminophenylarsonic-acid.html

>  <CAS Number> (366)
98-50-0

$$$$
S5200 Diaveridine.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8587    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0719    2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587    0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4957    2.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851    0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    2.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4957    4.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4946    0.0055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0048    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7191    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307    0.0000    0.0000 N   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
  2  5  1  0  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  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (367)
3876

>  <Formula> (367)
C13H16N4O2

>  <MolWeight> (367)
260.29174

>  <Item Name> (367)
Diaveridine

>  <Catalog Number> (367)
S5200

>  <Synonyms> (367)
AI3-23935, CCRIS-3784

>  <Target> (367)
DHFR

>  <Form> (367)
free base

>  <URL> (367)
http://selleckchem.com/products/diaveridine.html

>  <CAS Number> (367)
5355-16-8

$$$$
S5201 Acetylisovaleryltylosin Tartrate.cdx
csChFnd80/10101813162D

 85 87  0  0  0  0  0  0  0  0999 V2000
   13.5799   10.1507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6447   11.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1852   10.8096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7599    9.4576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7411    8.4276    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1306    8.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    7.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4137    9.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4238   10.1527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0615   11.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668   11.5315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5978   10.4475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2837    9.2103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6977    9.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    8.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   10.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    9.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6908   13.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8821   11.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0630   12.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8225    9.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0349   10.2059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3597    9.5134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3169    8.0486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4946    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8432    8.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0783    7.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3788    8.2488    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4319    9.8002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.6443   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8468    9.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0641   10.5088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.4049    9.7577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.6980   10.6626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.6182   12.1283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.2962   12.6652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.0716   11.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1402    7.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1402    5.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9277    5.1902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3526    5.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1473    8.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
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M  END
>  <Mol_ID> (368)
3877

>  <Formula> (368)
C57H93NO25

>  <MolWeight> (368)
1192.34002

>  <Item Name> (368)
Acetylisovaleryltylosin Tartrate

>  <Catalog Number> (368)
S5201

>  <Synonyms> (368)
AK105039

>  <Target> (368)
Anti-infection

>  <Form> (368)
tartrate

>  <URL> (368)
http://selleckchem.com/products/acetylisovaleryltylosin-tartrate.html

>  <CAS Number> (368)
63428-13-7

$$$$
S5202 Quinocetone.cdx
csChFnd80/10101813162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6327    4.2006    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6327    1.3902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 13  4  1  0  0  0  0
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 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (369)
3878

>  <Formula> (369)
C18H14N2O3

>  <MolWeight> (369)
306.31536

>  <Item Name> (369)
Quinocetone

>  <Catalog Number> (369)
S5202

>  <Synonyms> (369)
N/A

>  <Target> (369)
Anti-infection

>  <Form> (369)
free base

>  <URL> (369)
http://selleckchem.com/products/quinocetone.html

>  <CAS Number> (369)
81810-66-4

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/10101813162D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.7096    2.7775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7096    4.1774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0172    2.3289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3648    2.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3663    4.1778    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0489    4.5954    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8924    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4260    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3749    1.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3764    5.1677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9275    2.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9253    4.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4361    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7783    0.6276    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0241    4.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0342    5.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618    3.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819    5.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3264    4.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6864    6.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    3.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3219    6.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    5.5615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0929    0.6259    0.0000 K   0  3  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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 24  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  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 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (370)
3879

>  <Formula> (370)
C16H17KN2O4S

>  <MolWeight> (370)
372.48048

>  <Item Name> (370)
Benzylpenicillin potassium

>  <Catalog Number> (370)
S5206

>  <Synonyms> (370)
Penicillin G potassium

>  <Target> (370)
Anti-infection

>  <Form> (370)
potassium salt

>  <URL> (370)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (370)
113-98-4

$$$$
S5208 Ciprofloxacin hydrochloride hydrate.cdx
csChFnd80/10101813162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0623    3.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    2.6089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    2.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    1.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    3.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    5.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    5.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6488    3.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    4.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    6.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6488    4.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    2.6089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7113    5.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    5.4045    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    1.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2222    3.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9200    4.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7113    6.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2222    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042    0.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042    1.5764    0.0000 Cl  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  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
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (371)
3880

>  <Formula> (371)
C17H21ClFN3O4

>  <MolWeight> (371)
385.8177432

>  <Item Name> (371)
Ciprofloxacin hydrochloride hydrate

>  <Catalog Number> (371)
S5208

>  <Synonyms> (371)
Ciloxan, Ceprimax, Oftacilox

>  <Target> (371)
Anti-infection

>  <Form> (371)
hydrochloride hydrate

>  <URL> (371)
http://selleckchem.com/products/ciprofloxacin-hydrochloride-hydrate.html

>  <CAS Number> (371)
86393-32-0

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/10101813162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0541    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0541    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    4.8912    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9054    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7092    0.4160    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    0.0034    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  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
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
  5 24  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (372)
3881

>  <Formula> (372)
C15H17FN4O3R

>  <MolWeight> (372)
320.3188832

>  <Item Name> (372)
Enoxacin Sesquihydrate

>  <Catalog Number> (372)
S5209

>  <Synonyms> (372)
Enoxacin hydrate

>  <Target> (372)
Anti-infection

>  <Form> (372)
sesquihydrate

>  <URL> (372)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (372)
84294-96-2

$$$$
S5210 Sulfamethazine Sodium Salt.cdx
csChFnd80/10101813162D

 20 21  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    3.5000    0.0000 S   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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.7124    0.0000 O   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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 Na  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
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   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
    8.4870    1.4000    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    4.2000    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
  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
  2  7  2  0  0  0  0
  3  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
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (373)
3882

>  <Formula> (373)
C12H13N4NaO2S

>  <MolWeight> (373)
300.31199

>  <Item Name> (373)
Sulfamethazine Sodium Salt

>  <Catalog Number> (373)
S5210

>  <Synonyms> (373)
Sulfadimethyldiazine Sodium Salt

>  <Target> (373)
Anti-infection

>  <Form> (373)
sodium salt 

>  <URL> (373)
http://selleckchem.com/products/sulfamethazine-sodium-salt.html

>  <CAS Number> (373)
1981-58-4

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1858    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    3.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2216    1.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3486    3.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    2.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3980    0.0000 N   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
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (374)
3883

>  <Formula> (374)
C7H7NO3

>  <MolWeight> (374)
153.13538

>  <Item Name> (374)
4-Aminosalicylic acid

>  <Catalog Number> (374)
S5211

>  <Synonyms> (374)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (374)
Anti-infection

>  <Form> (374)
free base

>  <URL> (374)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (374)
65-49-6

$$$$
S5212 Imidazolidinyl Urea.cdx
csChFnd80/10101813162D

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.5537    2.3555    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2950    2.9025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4090    0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662    3.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922    0.6747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522    0.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    2.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446    4.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1839    3.0537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    0.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4030    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6080    3.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    2.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0330    3.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    0.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2536    2.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5056    2.8844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (375)
3884

>  <Formula> (375)
C11H16N8O8

>  <MolWeight> (375)
388.29354

>  <Item Name> (375)
Imidazolidinyl Urea

>  <Catalog Number> (375)
S5212

>  <Synonyms> (375)
Imidurea

>  <Target> (375)
Anti-infection

>  <Form> (375)
free base

>  <URL> (375)
http://selleckchem.com/products/imidazolidinyl-urea.html

>  <CAS Number> (375)
39236-46-9

$$$$
S4878 Neticonazole Hydrochloride.cdx
csChFnd80/10101813162D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.0922    6.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (376)
3892

>  <Formula> (376)
C17H23ClN2OS

>  <MolWeight> (376)
338.89532

>  <Item Name> (376)
Neticonazole Hydrochloride

>  <Catalog Number> (376)
S4878

>  <Synonyms> (376)
N/A

>  <Target> (376)
Anti-infection

>  <Form> (376)
hydrochloride 

>  <URL> (376)
http://selleckchem.com/products/neticonazole-hydrochloride.html

>  <CAS Number> (376)
130773-02-3

$$$$
S5043 Benorylate.cdx
csChFnd80/10101813162D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (377)
3897

>  <Formula> (377)
C17H15NO5

>  <MolWeight> (377)
313.3047

>  <Item Name> (377)
Benorylate
Benorylate

>  <Catalog Number> (377)
S5043

>  <Synonyms> (377)
Benorilate, Benoral, Benortan

>  <Target> (377)
Immunology & Inflammation related

>  <Form> (377)
free base

>  <URL> (377)
http://selleckchem.com/products/benorylate.html

>  <CAS Number> (377)
5003-48-5

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/10101813162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0619    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4852    4.9095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 11  4  1  0  0  0  0
  7  4  2  0  0  0  0
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 16  5  1  0  0  0  0
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 22  6  1  0  0  0  0
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 24  8  1  0  0  0  0
 23  9  1  0  0  0  0
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 13 10  1  0  0  0  0
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M  END
>  <Mol_ID> (378)
3900

>  <Formula> (378)
C22H24ClFN4

>  <MolWeight> (378)
398.9041632

>  <Item Name> (378)
Revaprazan Hydrochloride

>  <Catalog Number> (378)
S5058

>  <Synonyms> (378)
YH1885

>  <Target> (378)
Proton Pump

>  <URL> (378)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (378)
178307-42-1

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/10101813162D

 56 59  0  0  0  0  0  0  0  0999 V2000
   25.8373    3.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (379)
3901

>  <Formula> (379)
C40H52Cl2N8O6

>  <MolWeight> (379)
811.79688

>  <Item Name> (379)
Daclatasvir Digydrochloride

>  <Catalog Number> (379)
S5062

>  <Synonyms> (379)
N/A

>  <Target> (379)
HCV Protease

>  <Form> (379)
dihydrochloride 

>  <URL> (379)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (379)
1009119-65-6

$$$$
S5092 Febantel.cdx
csChFnd80/10101813162D

 31 32  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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   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
    4.8497    2.1000    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
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   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  5  9  2  0  0  0  0
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  8 13  2  0  0  0  0
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 11 16  1  0  0  0  0
 12 17  1  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  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  1  0  0  0  0
 19 26  2  0  0  0  0
 20 27  2  0  0  0  0
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 25 30  1  0  0  0  0
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 28 31  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <Mol_ID> (380)
3908

>  <Formula> (380)
C20H22N4O6S

>  <MolWeight> (380)
446.47688

>  <Item Name> (380)
Febantel

>  <Catalog Number> (380)
S5092

>  <Synonyms> (380)
Rintal, Combotel, Oratel, Bay Vh 5757, Negabot Plus

>  <Target> (380)
Anti-infection

>  <Form> (380)
free base

>  <URL> (380)
http://selleckchem.com/products/febantel.html

>  <CAS Number> (380)
58306-30-2

$$$$
S5093 Rafoxanide.cdx
csChFnd80/10101813162D

 27 29  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
    4.8497    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   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
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    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
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 Cl  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
   12.1244    5.6000    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
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 Cl  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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 25 26  2  0  0  0  0
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M  END
>  <Mol_ID> (381)
3909

>  <Formula> (381)
C19H11Cl2I2NO3

>  <MolWeight> (381)
626.01048

>  <Item Name> (381)
Rafoxanide

>  <Catalog Number> (381)
S5093

>  <Synonyms> (381)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (381)
Anti-infection

>  <Form> (381)
free base

>  <URL> (381)
http://selleckchem.com/products/rafoxanide.html

>  <CAS Number> (381)
22662-39-1

$$$$
S5214 Imidocarb dipropionate.cdx
csChFnd80/10101813162D

 36 37  0  0  0  0  0  0  0  0999 V2000
    7.0655    4.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    6.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7028    6.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4864    3.3317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4835    0.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6960    0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4835    2.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2711    0.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4885    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7010    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9134    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4885    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  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 15  1  0  0  0  0
 11 15  1  0  0  0  0
  7 11  1  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  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
 22 26  1  0  0  0  0
 18 22  1  0  0  0  0
  1 16  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  2  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (382)
3912

>  <Formula> (382)
C25H32N6O5

>  <MolWeight> (382)
496.55878

>  <Item Name> (382)
Imidocarb dipropionate

>  <Catalog Number> (382)
S5214

>  <Synonyms> (382)
N/A

>  <Target> (382)
Anti-infection

>  <Form> (382)
dipropionate

>  <URL> (382)
http://selleckchem.com/products/Imidocarb-dipropionate.html

>  <CAS Number> (382)
55750-06-6

$$$$
S4848 Dalbavancin.cdx
csChFnd80/10101813162D

128140  0  0  0  0  0  0  0  0999 V2000
   19.3085   10.5973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3933    3.4175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9459    2.1783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1566   11.3651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8519    3.5758    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4936   12.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5244   12.6451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5780   11.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6299    4.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4936   11.3331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2777   10.5973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8934   11.3331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4770   10.5973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8237   18.8400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   19.3085   14.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8097   19.3581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.9089   14.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (383)
3927

>  <Formula> (383)
C88H100Cl2N10O28

>  <MolWeight> (383)
1816.6918

>  <Item Name> (383)
Dalbavancin

>  <Catalog Number> (383)
S4848

>  <Synonyms> (383)
zeven

>  <Target> (383)
Anti-infection

>  <Form> (383)
free base

>  <URL> (383)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (383)
171500-79-1

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (384)
3934

>  <Formula> (384)
C36H64Cl2N4

>  <MolWeight> (384)
623.82616

>  <Item Name> (384)
Octenidine Dihydrochloride

>  <Catalog Number> (384)
S5012

>  <Synonyms> (384)
N/A

>  <Target> (384)
Anti-infection

>  <URL> (384)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (384)
70775-75-6

$$$$
S4869 Sulfamethoxazole sodium.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (385)
3948

>  <Formula> (385)
C10H10N3NaO3S

>  <MolWeight> (385)
275.25947

>  <Item Name> (385)
Sulfamethoxazole sodium

>  <Catalog Number> (385)
S4869

>  <Synonyms> (385)
N/A

>  <Target> (385)
Anti-infection

>  <URL> (385)
http://selleckchem.com/products/sulfamethoxazole-sodium.html

>  <CAS Number> (385)
4563-84-2

$$$$
S4876 Robenidine Hydrochoride.cdx
csChFnd80/10101813162D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6176    3.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    4.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    5.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (386)
3949

>  <Formula> (386)
C15H14Cl3N5

>  <MolWeight> (386)
370.66416

>  <Item Name> (386)
Robenidine Hydrochoride

>  <Catalog Number> (386)
S4876

>  <Synonyms> (386)
Dexium, Nugatex, Rasexinium, Toraxine

>  <Target> (386)
Anti-infection

>  <Form> (386)
hydrochloride 

>  <URL> (386)
http://selleckchem.com/products/robenidine-hydrochoride.html

>  <CAS Number> (386)
25875-50-7

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/10101813162D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    2.4249    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (387)
3967

>  <Formula> (387)
C34H30N2O6S

>  <MolWeight> (387)
594.6768

>  <Item Name> (387)
Pyrantel Pamoate 

>  <Catalog Number> (387)
S2501

>  <Synonyms> (387)
Pyrantel Embonate

>  <Target> (387)
Anti-infection

>  <Form> (387)
salt

>  <URL> (387)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (387)
22204-24-6

$$$$
S4874 Cefazedone.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (388)
3990

>  <Formula> (388)
C18H15Cl2N5O5S3

>  <MolWeight> (388)
548.4432

>  <Item Name> (388)
Cefazedone

>  <Catalog Number> (388)
S4874

>  <Synonyms> (388)
Refosporen, Cefazedonum 

>  <Target> (388)
Anti-infection

>  <Form> (388)
free base

>  <URL> (388)
http://selleckchem.com/products/cefazedone.html

>  <CAS Number> (388)
56187-47-4

$$$$
S4875 Cephapirin Benzathine.cdx
csChFnd80/10101813162D

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    9.7300   12.7405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (389)
3991

>  <Formula> (389)
C50H54N8O12S4

>  <MolWeight> (389)
1087.27016

>  <Item Name> (389)
Cephapirin Benzathine

>  <Catalog Number> (389)
S4875

>  <Synonyms> (389)
N/A

>  <Target> (389)
Anti-infection

>  <Form> (389)
salt

>  <URL> (389)
http://selleckchem.com/products/cephapirin-benzathine.html

>  <CAS Number> (389)
97468-37-6

$$$$
S4882 Resorantel.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (390)
3992

>  <Formula> (390)
C13H10BrNO3

>  <MolWeight> (390)
308.1274

>  <Item Name> (390)
Resorantel

>  <Catalog Number> (390)
S4882

>  <Synonyms> (390)
N/A

>  <Target> (390)
Anti-infection

>  <Form> (390)
free base

>  <URL> (390)
http://selleckchem.com/products/resorantel.html

>  <CAS Number> (390)
20788-07-2

$$$$
S4885 Taurolidine.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (391)
3994

>  <Formula> (391)
C7H16N4O4S2

>  <MolWeight> (391)
284.35634

>  <Item Name> (391)
Taurolidine

>  <Catalog Number> (391)
S4885

>  <Synonyms> (391)
Taurolin, Tauroline, Tauroflex

>  <Target> (391)
Anti-infection

>  <Form> (391)
free base

>  <URL> (391)
http://selleckchem.com/products/taurolidine.html

>  <CAS Number> (391)
19388-87-5

$$$$
S4894 D-Glucurone.cdx
csChFnd80/10101813162D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  CFW   6 BOND_GSTEREO 4
M  END
>  <Mol_ID> (392)
3998

>  <Formula> (392)
C6H8O6

>  <MolWeight> (392)
176.12412

>  <Item Name> (392)
D-Glucurone

>  <Catalog Number> (392)
S4894

>  <Synonyms> (392)
N/A

>  <Target> (392)
Others

>  <Form> (392)
free base

>  <URL> (392)
http://selleckchem.com/products/d-glucurone.html

>  <CAS Number> (392)
32449-92-6

$$$$
S4898 Sulfalozine sodium.cdx
csChFnd80/10101813162D

 18 19  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    3.5000    0.0000 S   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
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.2876    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
    2.4249    0.7000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   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
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    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 N   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    0.0000    0.0000 Cl  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
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 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
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (393)
4000

>  <Formula> (393)
C10H9ClN4O2S

>  <MolWeight> (393)
284.72206

>  <Item Name> (393)
Sulfalozine sodium

>  <Catalog Number> (393)
S4898

>  <Synonyms> (393)
sulfaclozine sodium, sulfachlopryrazine sodium

>  <Target> (393)
Anti-infection

>  <Form> (393)
free base

>  <URL> (393)
http://selleckchem.com/products/sulfalozine-sodium.html

>  <CAS Number> (393)
102-65-8

$$$$
S4942 4-Hydroxy-3,5-dimethoxybenzyl alcohol.cdx
csChFnd80/10101813162D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4268    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    2.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8338    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    4.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4223    4.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2535    0.6986    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  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  1  0  0  0  0
M  END
>  <Mol_ID> (394)
4005

>  <Formula> (394)
C9H12O4

>  <MolWeight> (394)
184.18918

>  <Item Name> (394)
4-Hydroxy-3,5-dimethoxybenzyl alcohol

>  <Catalog Number> (394)
S4942

>  <Synonyms> (394)
Syringic alcohol, Syringyl alcohol

>  <Target> (394)
Anti-infection

>  <Form> (394)
free base

>  <URL> (394)
http://selleckchem.com/products/4-hydroxy-3-5-dimethoxybenzyl-alcohol.html

>  <CAS Number> (394)
530-56-3

$$$$
S4959 Skatole.cdx
csChFnd80/10101813162D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4298    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628    2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548    0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    1.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7043    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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (395)
4009

>  <Formula> (395)
C9H9N

>  <MolWeight> (395)
131.17446

>  <Item Name> (395)
Skatole

>  <Catalog Number> (395)
S4959

>  <Synonyms> (395)
3-methylindole, Scatole

>  <Target> (395)
Anti-infection

>  <URL> (395)
http://selleckchem.com/products/skatole.html

>  <CAS Number> (395)
83-34-1

$$$$
S5017 Oxyclozanide.cdx
csChFnd80/10101813162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6446    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0695    3.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    5.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    1.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274    5.6026    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2819    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4275    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9126    3.5029    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    7.6970    0.0000 Cl  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
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 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
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (396)
4020

>  <Formula> (396)
C13H6Cl5NO3

>  <MolWeight> (396)
401.45664

>  <Item Name> (396)
Oxyclozanide

>  <Catalog Number> (396)
S5017

>  <Synonyms> (396)
Oxiclozanidum, Zanil, Oxyclozanid, Zanilox

>  <Target> (396)
Anti-infection

>  <Form> (396)
free base

>  <URL> (396)
http://selleckchem.com/products/oxyclozanide.html

>  <CAS Number> (396)
2277-92-1

$$$$
S4847 Faropenem Sodium.cdx
csChFnd80/10101813162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.8090    3.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    2.0886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1651    3.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    3.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    2.0886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1651    1.6567    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9614    2.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5819    5.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    4.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    1.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3627    2.8059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6428    6.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9494    5.5707    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    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
  2 20  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  6  0  0  0
  6  7  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  6  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 11 23  1  6  0  0  0
M  END
>  <Mol_ID> (397)
4026

>  <Formula> (397)
C12H14NNaO5S

>  <MolWeight> (397)
307.29803

>  <Item Name> (397)
Faropenem Sodium

>  <Catalog Number> (397)
S4847

>  <Synonyms> (397)
N/A

>  <Target> (397)
Anti-infection

>  <URL> (397)
http://selleckchem.com/products/faropenem-sodium.html

>  <CAS Number> (397)
122547-49-3

$$$$
S4870 Cefodizime Sodium.cdx
csChFnd80/10101813162D

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.0171    2.3096    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   19.8464    0.0413    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.4364    5.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6509    4.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8613    5.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8571    6.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6426    7.1613    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4323    6.4577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0323    6.4536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0364    5.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6551    2.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8696    2.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0758    4.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2861    5.0721    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3441    7.6949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9284   11.6764    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818   11.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3592    9.9202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0537    9.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 20  1  0  0  0  0
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 15 17  1  0  0  0  0
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  5 14  1  0  0  0  0
 27 28  2  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 30  2  0  0  0  0
 33 34  1  0  0  0  0
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 29 36  1  0  0  0  0
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  9 26  1  1  0  0  0
  8 39  1  6  0  0  0
 10 40  2  0  0  0  0
M  END
>  <Mol_ID> (398)
4027

>  <Formula> (398)
C20H18N6Na2O7S4

>  <MolWeight> (398)
628.63246

>  <Item Name> (398)
Cefodizime Sodium

>  <Catalog Number> (398)
S4870

>  <Synonyms> (398)
N/A

>  <Target> (398)
Anti-infection

>  <Form> (398)
disodium salt

>  <URL> (398)
http://selleckchem.com/products/cefodizime-sodium.html

>  <CAS Number> (398)
86329-79-5

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/10101813162D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7334    4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7281    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  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  2  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 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  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
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 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (399)
4030

>  <Formula> (399)
C25H36Cl2N2O3

>  <MolWeight> (399)
483.47094

>  <Item Name> (399)
Tilorone dihydrochloride

>  <Catalog Number> (399)
S5020

>  <Synonyms> (399)
N/A

>  <Target> (399)
Anti-infection

>  <Form> (399)
dihydrochloride 

>  <URL> (399)
http://selleckchem.com/products/tilorone-dihydrochloride.html

>  <CAS Number> (399)
27591-69-1

$$$$
S4866 Nicarbazin.cdx
csChFnd80/10101813162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.6995    2.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6902    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9119    3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.3902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    2.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.7902    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.7540    2.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5223    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9847    2.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7540    4.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9823    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3083    0.0122    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  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 12 15  2  0  0  0  0
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 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (400)
4034

>  <Formula> (400)
C19H18N6O6

>  <MolWeight> (400)
426.38282

>  <Item Name> (400)
Nicarbazin

>  <Catalog Number> (400)
S4866

>  <Synonyms> (400)
N/A

>  <Target> (400)
Anti-infection

>  <Form> (400)
salt

>  <URL> (400)
http://selleckchem.com/products/nicarbazin.html

>  <CAS Number> (400)
330-95-0

$$$$
S5081 Ceforanide.cdx
csChFnd80/10101813162D

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.7712    2.8045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7712    4.2045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0020    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3712    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3712    4.2045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9954    4.9074    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1994    2.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0020    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    1.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    5.1945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1970    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4118    2.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7924    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2172    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    4.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6264    2.8099    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6666    3.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9690    0.7367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3171    4.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0128    1.6358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4019    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2836    0.4470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3685    6.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3666    4.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0328    4.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7290    6.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4104    5.5572    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  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  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
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 22 27  1  0  0  0  0
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 25 27  2  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 32  2  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
M  END
>  <Mol_ID> (401)
4055

>  <Formula> (401)
C20H21N7O6S2

>  <MolWeight> (401)
519.55404

>  <Item Name> (401)
Ceforanide

>  <Catalog Number> (401)
S5081

>  <Synonyms> (401)
N/A

>  <Target> (401)
Anti-infection

>  <Form> (401)
free base

>  <URL> (401)
http://selleckchem.com/products/ceforanide.html

>  <CAS Number> (401)
60925-61-3

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/10101813162D

 33 34  0  0  0  0  0  0  0  0999 V2000
   10.8839    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6201    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    3.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2559    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    3.7756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0963    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3929    2.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9412    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7323    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9494    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3574    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1572    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4586    4.3084    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
 13  1  1  0  0  0  0
  6  2  1  0  0  0  0
 16  2  1  0  0  0  0
  3  4  2  0  0  0  0
 11  3  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
 21  5  1  0  0  0  0
 18  6  2  0  0  0  0
  7 10  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 12  8  1  0  0  0  0
 15  9  1  0  0  0  0
 10 14  1  0  0  0  0
 19 10  2  0  0  0  0
 14 11  1  0  0  0  0
 30 11  1  0  0  0  0
 31 11  1  0  0  0  0
 15 12  2  0  0  0  0
 17 13  1  0  0  0  0
 20 13  2  0  0  0  0
 32 15  1  0  0  0  0
 22 17  1  0  0  0  0
 24 22  1  0  0  0  0
 23 26  1  0  0  0  0
 25 23  1  0  0  0  0
 23 27  2  0  0  0  0
 28 24  1  0  0  0  0
 29 24  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (402)
4061

>  <Formula> (402)
C20H20FKN6O5

>  <MolWeight> (402)
482.5067032

>  <Item Name> (402)
Raltegravir potassium

>  <Catalog Number> (402)
S5245

>  <Synonyms> (402)
N/A

>  <Target> (402)
Integrase,HIV Protease

>  <Form> (402)
potassium salt

>  <URL> (402)
http://selleckchem.com/products/raltegravir-potassium.html

>  <CAS Number> (402)
871038-72-1

$$$$
S5307 2'-deoxy-2'-fluoro-2'-C-methyluridine.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.5635    5.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    4.1921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6268    4.4833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    4.4833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9350    5.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.2708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4579    3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2806    4.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    2.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    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
    0.0000    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  6  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 17  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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (403)
4064

>  <Formula> (403)
C10H13FN2O5

>  <MolWeight> (403)
260.2190232

>  <Item Name> (403)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Catalog Number> (403)
S5307

>  <Synonyms> (403)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Target> (403)
HCV Protease

>  <Form> (403)
free base

>  <URL> (403)
http://selleckchem.com/products/psi-6206-ro-2433-gs-331007.html

>  <CAS Number> (403)
863329-66-2

$$$$
S5035 6-AMinopenicillanic acid.cdx
csChFnd80/10101813162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.3862    2.8551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    4.2489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7221    2.4310    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9891    2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9891    4.2489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7221    4.7048    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    3.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719    1.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7422    4.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7648    2.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    0.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    5.6297    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
M  END
>  <Mol_ID> (404)
4072

>  <Formula> (404)
C8H12N2O3S

>  <MolWeight> (404)
216.25748

>  <Item Name> (404)
 6-AMinopenicillanic acid

>  <Catalog Number> (404)
S5035

>  <Synonyms> (404)
N/A

>  <Target> (404)
Anti-infection

>  <Form> (404)
free base

>  <URL> (404)
http://selleckchem.com/products/6-aminopenicillanic-acid.html

>  <CAS Number> (404)
551-16-6

$$$$
S5048 Fosfomycin Disodium.cdx
csChFnd80/10101813162D

 10  8  0  0  0  0  0  0  0  0999 V2000
    3.8045    1.8981    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    1.2191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9938    3.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744    2.8034    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7948    0.9394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2083    1.2053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    2.8314    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.1954    0.9099    0.0000 Na  0  3  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
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  1  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (405)
4074

>  <Formula> (405)
C3H5Na2O4P

>  <MolWeight> (405)
182.022701

>  <Item Name> (405)
Fosfomycin Disodium

>  <Catalog Number> (405)
S5048

>  <Synonyms> (405)
Phosphonemycin Disodium

>  <Target> (405)
Anti-infection

>  <URL> (405)
http://selleckchem.com/products/fosfomycin-disodium.html

>  <CAS Number> (405)
26016-99-9

$$$$
S5051 Pipemidic acid.cdx
csChFnd80/10101813162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   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    1.4000    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    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
    2.4249    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
    7.2746    2.1000    0.0000 N   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
    8.4870    4.2000    0.0000 N   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
    8.4870    5.6000    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
    0.0000    2.1000    0.0000 O   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
    9.6995    6.3000    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
   10.9119    5.6000    0.0000 N   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
  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
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (406)
4075

>  <Formula> (406)
C14H17N5O3

>  <MolWeight> (406)
303.31648

>  <Item Name> (406)
Pipemidic acid

>  <Catalog Number> (406)
S5051

>  <Synonyms> (406)
Acido pipemidico 

>  <Target> (406)
Anti-infection

>  <Form> (406)
free base

>  <URL> (406)
http://selleckchem.com/products/pipemidic-acid.html

>  <CAS Number> (406)
51940-44-4

$$$$
S5053 Imazalil.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8476    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    2.1016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0587    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    0.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    2.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    0.7036    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0507    4.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    4.2267    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
    8.4733    4.9179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607    5.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    6.3603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7223    6.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    5.0247    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  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
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 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
 10 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 10  1  0  0  0  0
M  END
>  <Mol_ID> (407)
4076

>  <Formula> (407)
C14H14Cl2N2O

>  <MolWeight> (407)
297.17976

>  <Item Name> (407)
Imazalil

>  <Catalog Number> (407)
S5053

>  <Synonyms> (407)
Enilconazole, chloramizole

>  <Target> (407)
Others

>  <Form> (407)
free base

>  <URL> (407)
http://selleckchem.com/products/imazalil.html

>  <CAS Number> (407)
35554-44-0

$$$$
S4880 Cefathiamidine.cdx
csChFnd80/10101813162D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.3323    2.7736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3323    4.2759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4622    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    2.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    4.2759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4729    4.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7182    2.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4622    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514    1.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514    5.2659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7224    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9306    2.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6666    0.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    4.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1369    2.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    5.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    3.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    5.5311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.5633    2.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    0.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    6.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    6.1587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4293    7.8734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4393    8.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (408)
4079

>  <Formula> (408)
C19H28N4O6S2

>  <MolWeight> (408)
472.57882

>  <Item Name> (408)
Cefathiamidine

>  <Catalog Number> (408)
S4880

>  <Synonyms> (408)
N/A

>  <Target> (408)
Anti-infection

>  <Form> (408)
free base

>  <URL> (408)
http://selleckchem.com/products/cefathiamidine.html

>  <CAS Number> (408)
33075-00-2

$$$$
S4890 Bifendate.cdx
csChFnd80/10101813162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (409)
4081

>  <Formula> (409)
C20H18O10

>  <MolWeight> (409)
418.35092

>  <Item Name> (409)
Bifendate

>  <Catalog Number> (409)
S4890

>  <Synonyms> (409)
N/A

>  <Target> (409)
Reverse Transcriptase

>  <Form> (409)
free base

>  <URL> (409)
http://selleckchem.com/products/bifendate.html

>  <CAS Number> (409)
73536-69-3

$$$$
S4999 Avermectin B1.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (410)
4082

>  <Formula> (410)
C48H72O14

>  <MolWeight> (410)
873.07688

>  <Item Name> (410)
Avermectin B1

>  <Catalog Number> (410)
S4999

>  <Synonyms> (410)
abamectin

>  <Target> (410)
Anti-infection

>  <URL> (410)
http://selleckchem.com/products/avermectin.html

>  <CAS Number> (410)
71751-41-2

$$$$
S5227 Erythromycin thiocyanate.cdx
csChFnd80/10101813162D

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    6.1271    2.1256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4260    8.4505    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0094    6.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1234    8.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427   10.5982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4260   12.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3290    1.4217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9531    2.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4260    9.8651    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.9105    9.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4260   11.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2736   10.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 52  1  1  0  0  0
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  2  6  1  6  0  0  0
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  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  4 10  1  1  0  0  0
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 16 11  1  1  0  0  0
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 21 30  1  6  0  0  0
 21 28  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  2  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
 29 36  1  0  0  0  0
 29 37  1  0  0  0  0
 31 38  1  0  0  0  0
 31 39  1  1  0  0  0
 33 40  1  0  0  0  0
 33 41  1  1  0  0  0
 33 42  1  6  0  0  0
 34 43  1  6  0  0  0
 34 40  1  0  0  0  0
 35 44  1  0  0  0  0
 35 45  1  6  0  0  0
 38 46  1  1  0  0  0
 38 44  1  0  0  0  0
 40 47  1  1  0  0  0
 41 48  1  0  0  0  0
 44 49  1  6  0  0  0
 44 50  1  1  0  0  0
 45 51  1  0  0  0  0
 54 55  3  0  0  0  0
 54 56  1  0  0  0  0
M  END
>  <Mol_ID> (411)
4088

>  <Formula> (411)
C38H68N2O13S

>  <MolWeight> (411)
793.01712

>  <Item Name> (411)
Erythromycin thiocyanate

>  <Catalog Number> (411)
S5227

>  <Synonyms> (411)
N/A

>  <Target> (411)
Anti-infection

>  <Form> (411)
thiocyanate 

>  <URL> (411)
http://selleckchem.com/products/erythromycin-thiocyanate.html

>  <CAS Number> (411)
7704-67-8

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10101813162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  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  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (412)
4099

>  <Formula> (412)
C10H16N5O8P

>  <MolWeight> (412)
365.236501

>  <Item Name> (412)
Adenosine 5'-monophosphate monohydrate

>  <Catalog Number> (412)
S5284

>  <Synonyms> (412)
5'-Adenylic acid, 5'-AMP

>  <Target> (412)
AMPK

>  <Form> (412)
hydrate 

>  <URL> (412)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

>  <CAS Number> (412)
18422-05-4

$$$$
S5332 Cefquinome sulfate.cdx
csChFnd80/10101813162D

 42 45  0  0  0  0  0  0  0  0999 V2000
   12.6681    9.3472    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.8813   10.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0819    9.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0819    7.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9061    7.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9061    5.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7385    5.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5729    5.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5729    7.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6681    7.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4657   10.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8230    9.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0310   10.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2300    9.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2300    7.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8202   12.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2450   12.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0940    6.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198    8.6699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4341    6.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443    6.6474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3584    7.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    3.0782    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085    2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243    3.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4886    4.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    4.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291    1.3760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4498    6.5738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8993    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.4993    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4993    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4993    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0993    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  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
  5 10  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
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  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
 17 37  1  1  0  0  0
 18 19  1  0  0  0  0
 18 27  1  6  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 34  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 35  1  0  0  0  0
 32 33  2  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (413)
4109

>  <Formula> (413)
C23H26N6O9S3

>  <MolWeight> (413)
626.68234

>  <Item Name> (413)
Cefquinome sulfate

>  <Catalog Number> (413)
S5332

>  <Synonyms> (413)
N/A

>  <Target> (413)
Anti-infection

>  <URL> (413)
http://selleckchem.com/products/cefquinome-sulfate.html

>  <CAS Number> (413)
118443-89-3

$$$$
S5484 Rimantadine Hydrochloride.cdx
csChFnd80/10101813162D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939    0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663    1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    2.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020    4.4776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5166    5.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    5.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7557    2.6664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
  2  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 11 13  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
>  <Mol_ID> (414)
4112

>  <Formula> (414)
C12H22ClN

>  <MolWeight> (414)
215.76278

>  <Item Name> (414)
Rimantadine Hydrochloride

>  <Catalog Number> (414)
S5484

>  <Synonyms> (414)
N/A

>  <Target> (414)
DNA/RNA Synthesis

>  <Form> (414)
hydrochloride 

>  <URL> (414)
http://selleckchem.com/products/rimantadine-hydrochloride.html

>  <CAS Number> (414)
1501-84-4

$$$$
S5215 Abacavir.cdx
csChFnd80/10101813162D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.8365    7.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8313    6.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1696    8.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1612    5.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    5.7174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    9.9144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    7.8220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9883    7.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889    4.6392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4106    6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   10.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    3.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9130    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1421    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749    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
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
 10  5  1  1  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
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 12 16  1  0  0  0  0
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 13 18  1  0  0  0  0
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 16 17  1  0  0  0  0
 18 20  1  1  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (415)
4114

>  <Formula> (415)
C14H18N6O

>  <MolWeight> (415)
286.33232

>  <Item Name> (415)
Abacavir

>  <Catalog Number> (415)
S5215

>  <Synonyms> (415)
N/A

>  <Target> (415)
Reverse Transcriptase

>  <Form> (415)
free base

>  <URL> (415)
http://selleckchem.com/products/abacavir.html

>  <CAS Number> (415)
136470-78-5

$$$$
S5268 Solithromycin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (416)
4121

>  <Formula> (416)
C43H65FN6O10

>  <MolWeight> (416)
845.0088032

>  <Item Name> (416)
Solithromycin

>  <Catalog Number> (416)
S5268

>  <Synonyms> (416)
CEM-101, OP-1068

>  <Target> (416)
Anti-infection

>  <Form> (416)
free base

>  <URL> (416)
http://selleckchem.com/products/solithromycin.html

>  <CAS Number> (416)
760981-83-7

$$$$
S5246 Entecavir.cdx
csChFnd80/10101813162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9772    5.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7637    3.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (417)
4132

>  <Formula> (417)
C12H15N5O3

>  <MolWeight> (417)
277.2792

>  <Item Name> (417)
Entecavir

>  <Catalog Number> (417)
S5246

>  <Synonyms> (417)
N/A

>  <Target> (417)
Reverse Transcriptase

>  <Form> (417)
free base

>  <URL> (417)
http://selleckchem.com/products/entecavir.html

>  <CAS Number> (417)
142217-69-4

$$$$
S5250 Darunavir.cdx
csChFnd80/10101813162D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (418)
4133

>  <Formula> (418)
C27H37N3O7S

>  <MolWeight> (418)
547.66358

>  <Item Name> (418)
Darunavir

>  <Catalog Number> (418)
S5250

>  <Synonyms> (418)
TMC114

>  <Target> (418)
HIV Protease

>  <Form> (418)
free base

>  <URL> (418)
http://selleckchem.com/products/darunavir.html

>  <CAS Number> (418)
206361-99-1

$$$$
S5289 Ceftezole.cdx
csChFnd80/10101813162D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.2910    2.9274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2910    4.3339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5493    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9046    2.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9046    4.3473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5493    5.0607    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7674    2.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5493    0.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9086    2.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8883    5.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7674    4.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0056    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7270    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2035    2.9274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3137    3.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4080    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2476    5.3838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5361    0.8412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1237    6.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8373    4.0849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6760    1.6891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9290    0.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307    4.0715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2910    5.6663    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 29  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  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  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (419)
4139

>  <Formula> (419)
C13H12N8O4S3

>  <MolWeight> (419)
440.48058

>  <Item Name> (419)
Ceftezole

>  <Catalog Number> (419)
S5289

>  <Synonyms> (419)
Celoslin, Falomesin

>  <Target> (419)
Anti-infection

>  <Form> (419)
free base

>  <URL> (419)
http://selleckchem.com/products/ceftezole.html

>  <CAS Number> (419)
26973-24-0

$$$$
S5291 Sulfisomidin.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8305    5.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    4.8997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    4.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    3.6867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9185    6.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    5.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468    6.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    2.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4627    7.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    0.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    0.0000    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
  2  7  2  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
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (420)
4141

>  <Formula> (420)
C12H14N4O2S

>  <MolWeight> (420)
278.33016

>  <Item Name> (420)
sulfaisodimidine

>  <Catalog Number> (420)
S5291

>  <Synonyms> (420)
sulfamethin, sulfaisodimidine

>  <Target> (420)
Anti-infection

>  <Form> (420)
free base

>  <URL> (420)
http://selleckchem.com/products/sulfaisodimidine.html

>  <CAS Number> (420)
515-64-0

$$$$
S5292 Diazolidinyl urea.cdx
csChFnd80/10101813162D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0674    3.0818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3419    3.6611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2245    1.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    2.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6224    5.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6426    3.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388    5.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    1.4101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1913    0.7459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    2.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9505    5.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    1.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0458    5.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1754    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    3.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5688    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7350    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
  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
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (421)
4142

>  <Formula> (421)
C8H14N4O7

>  <MolWeight> (421)
278.21936

>  <Item Name> (421)
Diazolidinyl urea

>  <Catalog Number> (421)
S5292

>  <Synonyms> (421)
Germall II

>  <Target> (421)
Anti-infection

>  <Form> (421)
free base

>  <URL> (421)
http://selleckchem.com/products/diazolidinyl-urea.html

>  <CAS Number> (421)
78491-02-8

$$$$
S5294 Cephalotin acid.cdx
csChFnd80/10101813162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.3644    2.8017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3644    4.2017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5798    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9697    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591    4.2003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5739    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8020    2.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5798    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9797    1.8104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9692    5.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7791    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0145    2.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7922    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6165    4.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2307    2.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6266    5.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    3.4705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4413    2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743    5.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6546    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4413    0.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7686    4.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015    6.3137    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    5.5540    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 27  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  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  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (422)
4144

>  <Formula> (422)
C16H16N2O6S2

>  <MolWeight> (422)
396.43804

>  <Item Name> (422)
Cephalotin acid

>  <Catalog Number> (422)
S5294

>  <Synonyms> (422)
N/A

>  <Target> (422)
Anti-infection

>  <Form> (422)
free base

>  <URL> (422)
http://selleckchem.com/products/cephalotin-acid.html

>  <CAS Number> (422)
153-61-7

$$$$
S5295 Lincomycin Hydrochloride Monohydrate.cdx
csChFnd80/10101813162D

 29 28  0  0  0  0  0  0  0  0999 V2000
    8.8806    4.2899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6526    4.9716    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0885    4.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604    2.9067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4498    4.2899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    6.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2962    4.2650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0732    2.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6426    2.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    4.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8906    7.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649    7.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2811    2.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5290    4.9465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431    0.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595    4.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2923    6.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990    2.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5139    6.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    4.9064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    2.6663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8694    3.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863    1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5142    2.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5871    4.7065    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  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  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  8 15  1  1  0  0  0
  8 13  1  0  0  0  0
 16 10  1  6  0  0  0
 10 17  2  0  0  0  0
 13 18  1  6  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  1  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (423)
4145

>  <Formula> (423)
C18H37ClN2O7S

>  <MolWeight> (423)
461.01358

>  <Item Name> (423)
Lincomycin Hydrochloride Monohydrate

>  <Catalog Number> (423)
S5295

>  <Synonyms> (423)
N/A

>  <Target> (423)
Anti-infection

>  <Form> (423)
hydrochloride, hydrate

>  <URL> (423)
http://selleckchem.com/products/lincomycin-hydrochloride-monohydrate.html

>  <CAS Number> (423)
7179-49-9

$$$$
S5296 Cephradine monohydrate.cdx
csChFnd80/10101813162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.7829    2.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7860    4.3321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3837    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    2.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3863    4.3358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0017    5.0287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3892    1.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2078    2.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9879    0.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4010    5.3303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2120    4.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4181    2.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1982    0.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    0.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480    4.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609    5.9708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6800    3.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081    5.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4298    7.3226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393    4.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    6.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853    3.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3686    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  1  0  0  0
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  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
  3  5  1  0  0  0  0
  8 11  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  6  0  0  0
M  END
>  <Mol_ID> (424)
4146

>  <Formula> (424)
C16H21N3O5S

>  <MolWeight> (424)
367.42004

>  <Item Name> (424)
Cephradine monohydrate

>  <Catalog Number> (424)
S5296

>  <Synonyms> (424)
N/A

>  <Target> (424)
Anti-infection

>  <Form> (424)
hydrate 

>  <URL> (424)
http://selleckchem.com/products/cephradine-monohydrate.html

>  <CAS Number> (424)
75975-70-1

$$$$
S5298 Amoxicillin trihydrate.cdx
csChFnd80/10101813162D

 29 28  0  0  0  0  0  0  0  0999 V2000
   17.2020    7.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1920    6.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7536    4.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5718    3.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6081    2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6162    4.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7439    2.5076    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4144    2.9461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1883    1.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0089    2.9576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0189    1.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6658    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    1.3523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0382    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3236    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9612    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9813    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3336    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3124    3.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4205    4.3461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0258    4.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0359    5.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5626    6.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   19.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 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 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 15 21  2  0  0  0  0
 12 22  2  0  0  0  0
  3 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  2  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (425)
4148

>  <Formula> (425)
C16H25N3O8S

>  <MolWeight> (425)
419.45

>  <Item Name> (425)
Amoxicillin trihydrate

>  <Catalog Number> (425)
S5298

>  <Synonyms> (425)
Amoxil trihydrate, Amoxipen trihydrate, Moxaline trihydrate 

>  <Target> (425)
Anti-infection

>  <Form> (425)
trihydrate

>  <URL> (425)
http://selleckchem.com/products/amoxicillin-trihydrate.html

>  <CAS Number> (425)
61336-70-7

$$$$
S5299 Tosufloxacin p-Toluenesulfonate Hydrate.cdx
csChFnd80/10101813162D

 41 43  0  0  0  0  0  0  0  0999 V2000
    7.2454   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    7.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    7.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579   13.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828    8.2181    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079   12.4181    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   10.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    5.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951   11.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   13.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    9.1472    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0924    7.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    4.0183    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8316    2.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8269    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    2.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    1.3998    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    2.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3568    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 26 29  1  0  0  0  0
  7 12  1  0  0  0  0
  9 14  1  0  0  0  0
 18 23  2  0  0  0  0
 26 27  1  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  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
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  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
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 31 36  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
>  <Mol_ID> (426)
4149

>  <Formula> (426)
C26H25F3N4O7S

>  <MolWeight> (426)
594.5595096

>  <Item Name> (426)
Tosufloxacin p-Toluenesulfonate Hydrate

>  <Catalog Number> (426)
S5299

>  <Synonyms> (426)
Tosufloxacin Tosylate Hydrate, T-3262 Tosylate Hydrate

>  <Target> (426)
Anti-infection

>  <Form> (426)
4-methylbenzenesulfonate, hy

>  <URL> (426)
http://selleckchem.com/products/tosufloxacin-p-toluenesulfonate-hydrate.html

>  <CAS Number> (426)
1400591-39-0

$$$$
S5331 Ceftezole sodium.cdx
csChFnd80/10101813162D

 30 32  0  0  0  0  0  0  0  0999 V2000
   11.9891    0.0270    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.3455    2.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7648    2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7551    4.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5352    4.9111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3303    4.1980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9303    4.1829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9456    2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7376    0.0053    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.9542    2.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1758    2.8331    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.6895    2.6769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3883    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5030    0.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8638    0.4185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5971    1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9404    5.1728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5978    4.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172    3.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2581    5.4919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938    6.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3265    4.3088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9556    1.7928    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  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
  2  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  3 10  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 19  2  0  0  0  0
 15 19  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
  4 13  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  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
 24 28  1  0  0  0  0
 23 24  1  0  0  0  0
 20 21  1  0  0  0  0
  8 20  1  1  0  0  0
  9 29  2  0  0  0  0
  7 30  1  6  0  0  0
M  END
>  <Mol_ID> (427)
4150

>  <Formula> (427)
C13H11N8NaO4S3

>  <MolWeight> (427)
462.46241

>  <Item Name> (427)
Ceftezole sodium

>  <Catalog Number> (427)
S5331

>  <Synonyms> (427)
Celoslin sodium, Falomesin sodium

>  <Target> (427)
Anti-infection

>  <Form> (427)
sodium salt 

>  <URL> (427)
http://selleckchem.com/products/ceftezole-sodium.html

>  <CAS Number> (427)
41136-22-5 

$$$$
S5333 Sulbenicillin Sodium.cdx
csChFnd80/10101813162D

 30 30  0  0  0  0  0  0  0  0999 V2000
    9.5848    2.9222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5848    4.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9219    2.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1651    2.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1651    4.3033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9072    4.7359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7289    3.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4177    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    1.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927    5.3290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9104    4.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    2.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4940    0.0488    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.8424    0.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8216    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8249    5.9563    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4180    3.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2173    7.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5627    5.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401    8.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3685    5.1667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1382    6.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    4.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9353    8.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6325    9.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   10.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0934    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.2478    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.3642    5.7002    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
  2 30  1  6  0  0  0
M  END
>  <Mol_ID> (428)
4151

>  <Formula> (428)
C16H16N2Na2O7S2

>  <MolWeight> (428)
458.41698

>  <Item Name> (428)
Sulbenicillin Sodium

>  <Catalog Number> (428)
S5333

>  <Synonyms> (428)
Sulfocillin, Sulfobenzylpenicillin

>  <Target> (428)
Anti-infection

>  <Form> (428)
sodium salt

>  <URL> (428)
http://selleckchem.com/products/sulbenicillin-sodium.html

>  <CAS Number> (428)
28002-18-8 

$$$$
S5420 Clindamycin alcoholate.cdx
csChFnd80/10101813162D

 30 29  0  0  0  0  0  0  0  0999 V2000
    8.9564    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9503    5.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1738    7.1276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3791    5.0258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3794    6.4225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7451    7.1312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3155    7.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336    6.4295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1617    4.3277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8331    6.9856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8799    5.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155    8.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519    5.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7451    8.5279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1589    2.9221    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    4.7546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5880    4.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1742    8.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6026    7.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485    8.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5338    9.2296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    3.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3670    2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9565    9.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758    3.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694    1.7434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9564    7.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  6  1  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3 19  1  6  0  0  0
  4  5  1  0  0  0  0
  4 18  1  1  0  0  0
  9  4  1  0  0  0  0
  5 20  1  6  0  0  0
  6  8  1  6  0  0  0
 15  6  1  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  6  0  0  0
 13  7  2  0  0  0  0
  9 16  1  1  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 21 10  1  0  0  0  0
 14 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 15 22  1  1  0  0  0
 25 15  1  0  0  0  0
 24 16  1  0  0  0  0
 17 23  1  1  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
  1 29  1  1  0  0  0
M  END
>  <Mol_ID> (429)
4166

>  <Formula> (429)
C18H36Cl2N2O6S

>  <MolWeight> (429)
479.45924

>  <Item Name> (429)
Clindamycin alcoholate

>  <Catalog Number> (429)
S5420

>  <Synonyms> (429)
N/A

>  <Target> (429)
Anti-infection

>  <Form> (429)
hydrochloride, monohydrate

>  <URL> (429)
http://selleckchem.com/products/clindamycin-alcoholate.html

>  <CAS Number> (429)
58207-19-5

$$$$
S5421 Fluoroquinolonic Acid.cdx
csChFnd80/10101813162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8876    2.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    1.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5893    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3508    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    6.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5753    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5612    4.7332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3508    6.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4174    0.0000 F   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
  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  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (430)
4167

>  <Formula> (430)
C13H9ClFNO3

>  <MolWeight> (430)
281.6668632

>  <Item Name> (430)
Fluoroquinolonic Acid

>  <Catalog Number> (430)
S5421

>  <Synonyms> (430)
Ciprofloxacin Impurity A, Q-Acid 

>  <Target> (430)
Anti-infection

>  <Form> (430)
free base

>  <URL> (430)
http://selleckchem.com/products/fluoroquinolonic-acid.html

>  <CAS Number> (430)
86393-33-1

$$$$
S5492 Econazole.cdx
csChFnd80/10101813162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    3.7835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4866    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7023    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5832    0.0000 Cl  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  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
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 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> (431)
4175

>  <Formula> (431)
C18H15Cl3N2O

>  <MolWeight> (431)
381.6835

>  <Item Name> (431)
Econazole

>  <Catalog Number> (431)
S5492

>  <Synonyms> (431)
N/A

>  <Target> (431)
Anti-infection

>  <Form> (431)
free base

>  <URL> (431)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (431)
27220-47-9

$$$$
S5499 Amantadine.cdx
csChFnd80/10101813162D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.3187    3.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915    2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525    4.5017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933    1.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050    1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118    0.8475    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  1  0  0  0  0
  1  5  1  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
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (432)
4178

>  <Formula> (432)
C10H17N

>  <MolWeight> (432)
151.24868

>  <Item Name> (432)
Amantadine

>  <Catalog Number> (432)
S5499

>  <Synonyms> (432)
1-Adamantanamine, 1-Adamantylamine, 1-Aminoadamantane

>  <Target> (432)
Anti-infection

>  <Form> (432)
free base

>  <URL> (432)
http://selleckchem.com/products/amantadine.html

>  <CAS Number> (432)
768-94-5

$$$$
S5515 Penicillin G Procaine.cdx
csChFnd80/10101813162D

 42 43  0  0  0  0  0  0  0  0999 V2000
   11.7008    8.9381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292    8.4963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8599    9.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0450   10.7615    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7105   10.3381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3140   10.3513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2974    8.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4525    7.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5085    6.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1200    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 41  1  0  0  0  0
M  END
>  <Mol_ID> (433)
4181

>  <Formula> (433)
C29H40N4O7S

>  <MolWeight> (433)
588.7155

>  <Item Name> (433)
Penicillin G Procaine

>  <Catalog Number> (433)
S5515

>  <Synonyms> (433)
Procaine benzylpenicillin

>  <Target> (433)
Anti-infection

>  <Form> (433)
salt

>  <URL> (433)
http://selleckchem.com/products/penicillin-g-procaine.html

>  <CAS Number> (433)
6130-64-9

$$$$
S3971 Fusidine.cdx
csChFnd80/10101813162D

 40 43  0  0  0  0  0  0  0  0999 V2000
    6.1524    3.5219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.3766    5.6312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6948    3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952    2.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    3.5031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (434)
4202

>  <Formula> (434)
C31H48O6

>  <MolWeight> (434)
516.70922

>  <Item Name> (434)
Fusidine

>  <Catalog Number> (434)
S3971

>  <Synonyms> (434)
Fusidic Acid

>  <Target> (434)
Anti-infection

>  <Form> (434)
free base

>  <URL> (434)
http://selleckchem.com/products/fusidine.html

>  <CAS Number> (434)
6990-06-3

$$$$
S4833 Cefoxitin sodium.cdx
csChFnd80/10101813162D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.6520    4.7120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2522    4.7335    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6736    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0519    4.6904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6305    3.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    6.1334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    4.0523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6787    7.0864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    3.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4074    2.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    6.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8276    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (435)
4205

>  <Formula> (435)
C16H16N3NaO7S2

>  <MolWeight> (435)
449.43391

>  <Item Name> (435)
Cefoxitin sodium

>  <Catalog Number> (435)
S4833

>  <Synonyms> (435)
N/A

>  <Target> (435)
Anti-infection

>  <Form> (435)
sodium salt

>  <URL> (435)
http://selleckchem.com/products/cefoxitin-sodium.html

>  <CAS Number> (435)
33564-30-6

$$$$
S4846 Meropenem Trihydrate.cdx
csChFnd80/10101813162D

 31 30  0  0  0  0  0  0  0  0999 V2000
   11.7775    2.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 28  1  6  0  0  0
M  END
>  <Mol_ID> (436)
4207

>  <Formula> (436)
C17H31N3O8S

>  <MolWeight> (436)
437.50834

>  <Item Name> (436)
Meropenem Trihydrate

>  <Catalog Number> (436)
S4846

>  <Synonyms> (436)
N/A

>  <Target> (436)
Anti-infection

>  <Form> (436)
trihydrate 

>  <URL> (436)
http://selleckchem.com/products/meropenem-trihydrate.html

>  <CAS Number> (436)
119478-56-7

$$$$
S4850 Flucloxacillin sodium.cdx
csChFnd80/10101813162D

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.8576    5.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8576    3.7026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1894    5.5683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (437)
4208

>  <Formula> (437)
C19H16ClFN3NaO5S

>  <MolWeight> (437)
475.8536132

>  <Item Name> (437)
Flucloxacillin sodium

>  <Catalog Number> (437)
S4850

>  <Synonyms> (437)
floxacillin sodium

>  <Target> (437)
Anti-infection

>  <Form> (437)
sodium salt 

>  <URL> (437)
http://selleckchem.com/products/flucloxacillin-sodium.html

>  <CAS Number> (437)
1847-24-1

$$$$
S4865 Cefetamet pivoxil hydrochloride.cdx
csChFnd80/10101813162D

 37 38  0  0  0  0  0  0  0  0999 V2000
    7.2826    4.8124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2826    6.2123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4916    4.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8767    4.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    6.2123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4989    6.9145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    2.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875    3.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4873    6.2123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7189    6.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9062    4.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6535    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7658    2.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 34  1  0  0  0  0
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M  END
>  <Mol_ID> (438)
4210

>  <Formula> (438)
C20H26ClN5O7S2

>  <MolWeight> (438)
548.03274

>  <Item Name> (438)
Cefetamet pivoxil hydrochloride

>  <Catalog Number> (438)
S4865

>  <Synonyms> (438)
N/A

>  <Target> (438)
Anti-infection

>  <Form> (438)
hydrochloride 

>  <URL> (438)
http://selleckchem.com/products/cefetamet-pivoxil-hydrochloride.html

>  <CAS Number> (438)
111696-23-2

$$$$
S4996 AN-2690.cdx
csChFnd80/10101813162D

 11 12  0  0  0  0  0  0  0  0999 V2000
    5.7916    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4013    3.8639    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  5  1  0  0  0  0
  2  3  1  0  0  0  0
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  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (439)
4214

>  <Formula> (439)
C7H6BFO2

>  <MolWeight> (439)
151.9307432

>  <Item Name> (439)
Tavaborole (AN-2690)

>  <Catalog Number> (439)
S4996

>  <Synonyms> (439)
N/A

>  <Target> (439)
Anti-infection

>  <Form> (439)
free base

>  <URL> (439)
http://selleckchem.com/products/tavaborole-an-2690.html

>  <CAS Number> (439)
174671-46-6

$$$$
S5213 Piroctone Olamine.cdx
csChFnd80/10101813162D

 21 20  0  0  0  0  0  0  0  0999 V2000
    6.0623    3.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    3.3462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2915    5.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (440)
4234

>  <Formula> (440)
C16H30N2O3

>  <MolWeight> (440)
298.421

>  <Item Name> (440)
Piroctone Olamine

>  <Catalog Number> (440)
S5213

>  <Synonyms> (440)
piroctone ethanolamine

>  <Target> (440)
Anti-infection

>  <URL> (440)
http://selleckchem.com/products/piroctone-olamine.html

>  <CAS Number> (440)
68890-66-4

$$$$
S5350 Cefpodoxime proxetil.cdx
csChFnd80/10101813162D

 38 40  0  0  0  0  0  0  0  0999 V2000
    9.6757    4.9764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8857    2.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4737    8.4497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9284    7.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917    7.0742    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    4.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196    7.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1166    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5172    2.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  4  1  0  0  0  0
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 13  5  2  0  0  0  0
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 16  6  2  0  0  0  0
 17  7  1  0  0  0  0
 24  7  2  0  0  0  0
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 22  8  2  0  0  0  0
 14  9  2  0  0  0  0
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 29 13  1  0  0  0  0
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 36 32  1  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (441)
4244

>  <Formula> (441)
C21H27N5O9S2

>  <MolWeight> (441)
557.59718

>  <Item Name> (441)
Cefpodoxime proxetil

>  <Catalog Number> (441)
S5350

>  <Synonyms> (441)
N/A

>  <Target> (441)
Anti-infection

>  <Form> (441)
free base

>  <URL> (441)
http://selleckchem.com/products/cefpodoxime-proxetil.html

>  <CAS Number> (441)
87239-81-4

$$$$
S5355 Piperaquine phosphate.cdx
csChFnd80/10101813162D

 42 46  0  0  0  0  0  0  0  0999 V2000
   14.5492    6.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    6.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.1059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (442)
4245

>  <Formula> (442)
C29H35Cl2N6O4P

>  <MolWeight> (442)
633.505761

>  <Item Name> (442)
Piperaquine phosphate

>  <Catalog Number> (442)
S5355

>  <Synonyms> (442)
N/A

>  <Target> (442)
Anti-infection

>  <Form> (442)
phosphate 

>  <URL> (442)
http://selleckchem.com/products/piperaquine-phosphate.html

>  <CAS Number> (442)
85547-56-4

$$$$
S5359 Butoconazole.cdx
csChFnd80/10101813162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.7834    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (443)
4246

>  <Formula> (443)
C19H17Cl3N2S

>  <MolWeight> (443)
411.77568

>  <Item Name> (443)
Butoconazole

>  <Catalog Number> (443)
S5359

>  <Synonyms> (443)
N/A

>  <Target> (443)
Anti-infection

>  <Form> (443)
free base

>  <URL> (443)
http://selleckchem.com/products/butoconazole.html

>  <CAS Number> (443)
64872-76-0

$$$$
S5366 Fipronil.cdx
csChFnd80/10101813162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.3103    6.9989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1797    7.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4326    7.8212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0909    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
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  7 14  1  0  0  0  0
  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Mol_ID> (444)
4250

>  <Formula> (444)
C12H4Cl2F6N4OS

>  <MolWeight> (444)
437.1477792

>  <Item Name> (444)
Fipronil

>  <Catalog Number> (444)
S5366

>  <Synonyms> (444)
Fluocyanobenpyrazole, Termidor

>  <Target> (444)
Anti-infection

>  <Form> (444)
free base

>  <URL> (444)
http://selleckchem.com/products/fipronil.html

>  <CAS Number> (444)
120068-37-3

$$$$
S5390 N-(Hytroxymethy)micotinamide.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4340    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8589    2.0947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    4.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2837    2.0947    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
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  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (445)
4264

>  <Formula> (445)
C7H8N2O2

>  <MolWeight> (445)
152.15062

>  <Item Name> (445)
N-(Hytroxymethy)micotinamide

>  <Catalog Number> (445)
S5390

>  <Synonyms> (445)
Nikomethamide, Bilamid, N-hydroxymethylnicotinamide

>  <Target> (445)
Anti-infection

>  <Form> (445)
free base

>  <URL> (445)
http://selleckchem.com/products/n-hytroxymethy-micotinamide.html

>  <CAS Number> (445)
3569-99-1

$$$$
S5410 Chloramphenicol sodium succinate.cdx
csChFnd80/10101813162D

 28 27  0  0  0  0  0  0  0  0999 V2000
    7.2579    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0455    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2579    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0455    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    4.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    2.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    4.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6474    2.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1077    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4121    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3201    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    2.0478    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5325    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7405    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5325    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7450    4.9000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.1493    4.9559    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  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
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (446)
4269

>  <Formula> (446)
C15H15Cl2N2NaO8

>  <MolWeight> (446)
445.18397

>  <Item Name> (446)
Chloramphenicol sodium succinate

>  <Catalog Number> (446)
S5410

>  <Synonyms> (446)
N/A

>  <Target> (446)
Anti-infection

>  <Form> (446)
sodium salt

>  <URL> (446)
http://selleckchem.com/products/chloramphenicol-sodium-succinate.html

>  <CAS Number> (446)
982-57-0

$$$$
S5440 Berberine Sulfate.cdx
csChFnd80/10101813162D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    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 N   0  3  0  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
    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
    6.0622    2.1000    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
    4.8497    4.2000    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    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
    4.8497    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
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    8.3694    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    7.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.5157    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
    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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    2.5311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5300    2.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    1.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    3.9311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7300    2.5311    0.0000 O   0  5  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  2  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  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 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  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  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
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (447)
4288

>  <Formula> (447)
C20H19NO8S

>  <MolWeight> (447)
433.43176

>  <Item Name> (447)
Berberine Sulfate

>  <Catalog Number> (447)
S5440

>  <Synonyms> (447)
Umbellatine Sulfate

>  <Target> (447)
Anti-infection

>  <Form> (447)
sulfate 

>  <URL> (447)
http://selleckchem.com/products/berberine-sulfate.html

>  <CAS Number> (447)
633-66-9

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/10101813162D

 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> (448)
4299

>  <Formula> (448)
C20H20O4

>  <MolWeight> (448)
324.3704

>  <Item Name> (448)
Isobavachalcone

>  <Catalog Number> (448)
S5456

>  <Synonyms> (448)
Corylifolinin

>  <Target> (448)
Anti-infection

>  <Form> (448)
free base

>  <URL> (448)
http://selleckchem.com/products/isobavachalcone.html

>  <CAS Number> (448)
20784-50-3

$$$$
S5459 Aucubin.cdx
csChFnd80/10101813162D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.0753    6.9721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2715    6.2815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0753    8.3993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7964    6.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855    6.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    8.8749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2416    9.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290    7.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659    5.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    4.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4855    8.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056   10.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    2.7902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6924    4.8756    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6945    2.0898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8905    4.1838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6924    6.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9096    2.7914    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6945    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1090    4.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1093    2.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110    5.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873    9.7879    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 25  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  1  0  0  0
  4  9  2  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  1  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  6  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 22  1  1  0  0  0
 18 20  1  0  0  0  0
 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (449)
4302

>  <Formula> (449)
C15H22O9

>  <MolWeight> (449)
346.32978

>  <Item Name> (449)
Aucubin

>  <Catalog Number> (449)
S5459

>  <Synonyms> (449)
Rhinanthin

>  <Target> (449)
Immunology & Inflammation related

>  <Form> (449)
free base

>  <URL> (449)
http://selleckchem.com/products/aucubin.html

>  <CAS Number> (449)
479-98-1

$$$$
S5473 Pivmecillinam hydrochloride.cdx
csChFnd80/10101813162D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.1010    2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1010    4.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4329    2.4474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7179    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179    4.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4329    4.6720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3447    3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346    1.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8065    1.9631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6472    5.0735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3962    4.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3962    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2177    0.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0187    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5254    4.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2403    1.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    5.1563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5240    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    6.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287    4.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640    2.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0651    7.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6501    4.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9359    1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2325    3.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6821    7.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1010    5.7173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1059    0.2502    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9589    2.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2522    0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2882    1.3948    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  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 28  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 27  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  1  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (450)
4314

>  <Formula> (450)
C21H34ClN3O5S

>  <MolWeight> (450)
476.02976

>  <Item Name> (450)
Pivmecillinam hydrochloride

>  <Catalog Number> (450)
S5473

>  <Synonyms> (450)
N/A

>  <Target> (450)
Anti-infection

>  <Form> (450)
hydrochloride 

>  <URL> (450)
http://selleckchem.com/products/pivmecillinam-hydrochloride.html

>  <CAS Number> (450)
32887-03-9

$$$$
S5541 Dimetridazole.cdx
csChFnd80/10101813162D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4276    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    1.5129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716    3.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.3968    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    2.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9568    0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    3.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0984    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0372    2.3704    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  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (451)
4339

>  <Formula> (451)
C5H7N3O2

>  <MolWeight> (451)
141.12798

>  <Item Name> (451)
Dimetridazole

>  <Catalog Number> (451)
S5541

>  <Synonyms> (451)
N/A

>  <Target> (451)
Anti-infection

>  <Form> (451)
free base

>  <URL> (451)
http://selleckchem.com/products/dimetridazole.html

>  <CAS Number> (451)
551-92-8

$$$$
S5553 Kasugamycin hydrochloride.cdx
csChFnd80/10101813162D

 27 27  0  0  0  0  0  0  0  0999 V2000
    9.6927    2.4320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4808    1.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    1.7279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6927    3.8349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2689    2.4320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1356    2.4343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9121    0.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    4.5390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4847    4.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    1.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2689    3.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    3.8310    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3447    1.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    5.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    0.3388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560    4.5416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3384    4.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    3.8514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0560    5.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    3.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    2.4475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  8 14  1  1  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  1  0  0  0
 11 17  1  0  0  0  0
 12 18  1  6  0  0  0
 15 19  1  0  0  0  0
 17 20  1  1  0  0  0
 17 19  1  0  0  0  0
 19 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (452)
4347

>  <Formula> (452)
C14H26ClN3O9

>  <MolWeight> (452)
415.82394

>  <Item Name> (452)
Kasugamycin hydrochloride

>  <Catalog Number> (452)
S5553

>  <Synonyms> (452)
N/A

>  <Target> (452)
Anti-infection

>  <Form> (452)
hydrochloride 

>  <URL> (452)
http://selleckchem.com/products/kasugamycin-hydrochloride.html

>  <CAS Number> (452)
19408-46-9

$$$$
S5557 Aklomide.cdx
csChFnd80/10101813162D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2262    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    2.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2301    0.7034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4327    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    0.0068    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2183    4.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    4.9102    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    6.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    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
  3  6  2  0  0  0  0
  4  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
  6  9  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
M  END
>  <Mol_ID> (453)
4351

>  <Formula> (453)
C7H5ClN2O3

>  <MolWeight> (453)
200.5792

>  <Item Name> (453)
Aklomide

>  <Catalog Number> (453)
S5557

>  <Synonyms> (453)
2-Chloro-4-nitrobenzamide

>  <Target> (453)
Anti-infection

>  <Form> (453)
free base

>  <URL> (453)
http://selleckchem.com/products/aklomide.html

>  <CAS Number> (453)
3011-89-0

$$$$
S5573 Tilmicosin phosphate.cdx
csChFnd80/10101813162D

 67 69  0  0  0  0  0  0  0  0999 V2000
    8.2441    5.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    4.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    5.5652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3423    6.6439    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    3.1896    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5506    3.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7729    6.6440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4450   10.0273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4450    8.6394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6793    7.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9087    8.6394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9087   10.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   10.7187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6650   12.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    7.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202   10.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6600    6.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2243    5.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6556    3.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1227    5.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9909    3.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9009    9.7705    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.8959   11.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 33 61  1  0  0  0  0
  9 15  1  1  0  0  0
 56 62  1  0  0  0  0
 26 31  1  0  0  0  0
 21  1  1  1  0  0  0
  8  9  1  0  0  0  0
 25 32  2  0  0  0  0
  8 16  1  6  0  0  0
 29 33  1  6  0  0  0
  3 34  1  6  0  0  0
 10 17  1  6  0  0  0
 34 35  1  0  0  0  0
  2  3  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 11 18  1  6  0  0  0
  3  4  1  0  0  0  0
 11 19  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 63 66  2  0  0  0  0
 63 67  1  0  0  0  0
M  END
>  <Mol_ID> (454)
4360

>  <Formula> (454)
C46H83N2O17P

>  <MolWeight> (454)
967.128181

>  <Item Name> (454)
Tilmicosin phosphate

>  <Catalog Number> (454)
S5573

>  <Synonyms> (454)
N/A

>  <Target> (454)
Anti-infection

>  <Form> (454)
phosphate 

>  <URL> (454)
http://selleckchem.com/products/tilmicosin-phosphate.html

>  <CAS Number> (454)
137330-13-3

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/10101813162D

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.3521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6944    4.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6250    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0477    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    7.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    8.3279    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  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  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 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (455)
4394

>  <Formula> (455)
C18H34Cl2N2O5S

>  <MolWeight> (455)
461.44396

>  <Item Name> (455)
Clindamycin HCl 

>  <Catalog Number> (455)
S2457

>  <Target> (455)
50S ribosomal 

>  <Form> (455)
hydrochloride

>  <URL> (455)
http://www.selleckchem.com/products/Clindamycin-

>  <CAS Number> (455)
21462-39-5 

$$$$
spiramycin.cdx
csChFnd80/10101813162D

 59 62  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 35 50  1  1  0  0  0
 46 51  1  0  0  0  0
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 54 55  1  0  0  0  0
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 52 58  1  1  0  0  0
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M  END
>  <Mol_ID> (456)
4399

>  <Formula> (456)
C43H74N2O14

>  <MolWeight> (456)
843.05266

>  <Item Name> (456)
spiramycin

>  <Catalog Number> (456)
S4082

>  <Synonyms> (456)
Formacidine

>  <Target> (456)
Anti-infection

>  <URL> (456)
http://selleckchem.com/products/spiramycin.html

>  <CAS Number> (456)
8025-81-8

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10101813162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6999    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (457)
4401

>  <Formula> (457)
C20H18O6

>  <MolWeight> (457)
354.35332

>  <Item Name> (457)
Acetyl Resveratrol

>  <Catalog Number> (457)
S3934

>  <Synonyms> (457)
N/A

>  <Target> (457)
Sirt12

>  <Form> (457)
free base

>  <URL> (457)
http://selleckchem.com/products/.html

>  <CAS Number> (457)
42206-94-0

$$$$
S3966 Nifuratel.cdx
csChFnd80/10101813162D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    2.4244    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2120    3.1480    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    1.2120    4.5486    0.0000 O   0  5  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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  5  9  1  0  0  0  0
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 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (458)
4405

>  <Formula> (458)
C10H11N3O5S

>  <MolWeight> (458)
285.27644

>  <Item Name> (458)
Nifuratel

>  <Catalog Number> (458)
S3966

>  <Synonyms> (458)
N/A

>  <Target> (458)
Antibacterial

>  <Form> (458)
free base

>  <URL> (458)
http://selleckchem.com/products/.html

>  <CAS Number> (458)
4936-47-4

$$$$
S4998 2-Aminobenzenesulfonamide.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4306    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4382    0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    2.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    2.8006    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    0.0123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    4.0162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3413    1.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8555    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0123    0.6734    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
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (459)
4408

>  <Formula> (459)
C6H8N2O2S

>  <MolWeight> (459)
172.20492

>  <Item Name> (459)
2-Aminobenzenesulfonamide

>  <Catalog Number> (459)
S4998

>  <Synonyms> (459)
Orthanilamide

>  <Target> (459)
DHPS

>  <URL> (459)
http://selleckchem.com/products/.html

>  <CAS Number> (459)
3306-62-5

$$$$
S5351 Cefmetazole sodium.cdx
csChFnd80/10101813162D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.7133    4.4389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1181    4.4389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7133    3.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    4.7549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8353    5.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1181    3.0340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3348    5.1413    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7233    2.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6885    6.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3348    2.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5513    4.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    4.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5473    0.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1224    0.2316    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1449    3.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9762    3.0340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    3.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1886    2.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3356    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4722    2.9054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7096    0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2953    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4121    1.8613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7558    5.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7966    0.2383    0.0000 Na  0  3  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  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 31  1  6  0  0  0
  3  8  2  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 15 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
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  3  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (460)
4421

>  <Formula> (460)
C15H16N7NaO5S3

>  <MolWeight> (460)
493.51621

>  <Item Name> (460)
Cefmetazole sodium

>  <Catalog Number> (460)
S5351

>  <Synonyms> (460)
Sodium cefmetazole

>  <Target> (460)
others

>  <Form> (460)
sodium salt

>  <URL> (460)
http://selleckchem.com/products/.html

>  <CAS Number> (460)
56796-39-5

$$$$
S5394 Tizoxanide.cdx
csChFnd80/10101813162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3410    2.2305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2084    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6700    3.1246    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.2395    1.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4928    4.2571    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  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
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  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
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (461)
4446

>  <Formula> (461)
C10H7N3O4S

>  <MolWeight> (461)
265.24528

>  <Item Name> (461)
 Tizoxanide

>  <Catalog Number> (461)
S5394

>  <Target> (461)
HCV Protease

>  <Form> (461)
free base

>  <URL> (461)
http://selleckchem.com/products/tizoxanide.html

>  <CAS Number> (461)
173903-47-4

$$$$
S5500 Amodiaquine hydrochloride.cdx
csChFnd80/10101813162D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    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
    4.8497    4.2000    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
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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    7.0000    0.0000 N   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
    7.2746    2.8000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.0000    0.0000 C   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
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  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  7  1  1  0  0  0  0
  2 10  2  0  0  0  0
 11  2  1  0  0  0  0
  2  9  1  0  0  0  0
  5  3  1  0  0  0  0
 16  3  1  0  0  0  0
  6  4  1  0  0  0  0
  8  4  2  0  0  0  0
 12  5  1  0  0  0  0
  6 14  2  0  0  0  0
 17  7  2  0  0  0  0
 18  8  1  0  0  0  0
  9 13  2  0  0  0  0
 21  9  1  0  0  0  0
 10 12  1  0  0  0  0
 15 11  1  0  0  0  0
 19 12  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 20 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  1  0  0  0  0
 16 18  2  0  0  0  0
 25 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (462)
4455

>  <Formula> (462)
C20H24Cl3N3O

>  <MolWeight> (462)
428.78306

>  <Item Name> (462)
Amodiaquine hydrochloride

>  <Catalog Number> (462)
S5500

>  <Synonyms> (462)
N/A

>  <Target> (462)
HnMT

>  <Form> (462)
dihydrochloride 

>  <URL> (462)
http://selleckchem.com/products/.html

>  <CAS Number> (462)
69-44-3

$$$$
S5560 Midecamycin.cdx
csChFnd80/10101813162D

 57 59  0  0  0  0  0  0  0  0999 V2000
    6.0681    9.8144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0681    8.4104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8559   10.5129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2803   10.5129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    7.7117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2803    7.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559   11.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4993    9.8144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8559    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    6.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2803    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367   12.6156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2122   12.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1360   10.5129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (463)
4461

>  <Formula> (463)
C41H67NO15

>  <MolWeight> (463)
813.96838

>  <Item Name> (463)
Midecamycin

>  <Catalog Number> (463)
S5560

>  <Form> (463)
free base

>  <CAS Number> (463)
35457-80-8

$$$$
S5623 Bedaquiline.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (464)
4465

>  <Formula> (464)
C32H31BrN2O2

>  <MolWeight> (464)
555.50474

>  <Item Name> (464)
Bedaquiline

>  <Catalog Number> (464)
S5623

>  <Synonyms> (464)
TMC207; R207910

>  <Target> (464)
tuberculosis

>  <Form> (464)
free base

>  <URL> (464)
http://selleckchem.com/products/.html

>  <CAS Number> (464)
843663-66-1

$$$$
S5626 Benzalkonium chloride.cdx
csChFnd80/10101813162D

 18 16  0  0  0  0  0  0  0  0999 V2000
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A   18
2-7
M  END
>  <Mol_ID> (465)
4467

>  <Formula> (465)
C15H26ClNR

>  <MolWeight> (465)
255.82664

>  <Item Name> (465)
Benzalkonium chloride

>  <Catalog Number> (465)
S5626

>  <Synonyms> (465)
N/A

>  <Target> (465)
Immunology & Inflammation related

>  <Form> (465)
free base

>  <URL> (465)
http://selleckchem.com/products/.html

>  <CAS Number> (465)
63449-41-2

$$$$
S4986 Latamoxef sodium.cdx
csChFnd80/10101813162D

 39 40  0  0  0  0  0  0  0  0999 V2000
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 13  7  2  0  0  0  0
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 12 11  2  0  0  0  0
  4 39  1  1  0  0  0
M  END
>  <Mol_ID> (466)
4478

>  <Formula> (466)
C20H18N6Na2O9S

>  <MolWeight> (466)
564.43626

>  <Item Name> (466)
Latamoxef sodium

>  <Catalog Number> (466)
S4986

>  <Synonyms> (466)
Moxalactam sodium salt

>  <Target> (466)
Antibacterial

>  <URL> (466)
http://selleckchem.com/products/.html

>  <CAS Number> (466)
64953-12-4

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/10101813162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 F   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  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
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 13 23  1  0  0  0  0
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M  END
>  <Mol_ID> (467)
4511

>  <Formula> (467)
C21H20ClF2N3O3

>  <MolWeight> (467)
435.8516064

>  <Item Name> (467)
Difloxacin hydrochloride

>  <Catalog Number> (467)
S5041

>  <Synonyms> (467)
N/A

>  <Target> (467)
Anti-infection

>  <Form> (467)
hydrochloride 

>  <URL> (467)
http://selleckchem.com/products/difloxacin-hydrochloride.html

>  <CAS Number> (467)
91296-86-5

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813162D

 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
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    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
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  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
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 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> (468)
4513

>  <Formula> (468)
C15H14O6

>  <MolWeight> (468)
290.26806

>  <Item Name> (468)
(+)-Catechin

>  <Catalog Number> (468)
S4722

>  <Synonyms> (468)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (468)
Others

>  <Form> (468)
Free Base

>  <URL> (468)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (468)
154-23-4

$$$$
S5531 Doripenem.cdx
csChFnd80/10101813162D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.1569    2.7479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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  5 29  1  1  0  0  0
  6 11  1  1  0  0  0
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  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  1  0  0  0
 17 12  1  1  0  0  0
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 24 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (469)
4922

>  <Formula> (469)
C15H24N4O6S2

>  <MolWeight> (469)
420.50426

>  <Item Name> (469)
Doripenem

>  <Catalog Number> (469)
S5531

>  <Target> (469)
Bacterial

>  <Form> (469)
free base

>  <URL> (469)
http://selleckchem.com/products/.html

>  <CAS Number> (469)
148016-81-3

$$$$
S5278 Tedizolid.cdx
csChFnd80/10101813162D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4116    0.8229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7431    0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (470)
4928

>  <Formula> (470)
C17H15FN6O3

>  <MolWeight> (470)
370.3378032

>  <Item Name> (470)
Tedizolid

>  <Catalog Number> (470)
S5278

>  <Target> (470)
Bacterial

>  <URL> (470)
http://selleckchem.com/products/.html

>  <CAS Number> (470)
856866-72-3

$$$$
S5700 Phthalylsulfathiazole.cdx
csChFnd80/10101813162D

 27 29  0  0  0  0  0  0  0  0999 V2000
   11.9156    3.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9126    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 23  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (471)
4952

>  <Formula> (471)
C17H13N3O5S2

>  <MolWeight> (471)
403.43222

>  <Item Name> (471)
Phthalylsulfathiazole

>  <Catalog Number> (471)
S5700

>  <Target> (471)
Bacterial

>  <Form> (471)
free base

>  <URL> (471)
http://selleckchem.com/products/.html

>  <CAS Number> (471)
85-73-4

$$$$
S3623 Ceftibuten (dihydrate).cdx
csChFnd80/10101813162D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (472)
4976

>  <Formula> (472)
C15H18N4O8S2

>  <MolWeight> (472)
446.45542

>  <Item Name> (472)
Ceftibuten (dihydrate)

>  <Catalog Number> (472)
S3623

>  <Synonyms> (472)
Sch-39720 dihydrate

>  <Target> (472)
Anti-infection

>  <URL> (472)
http://selleckchem.com/products/.html

>  <CAS Number> (472)
118081-34-8

$$$$
S5638 Cefozopran hydrochloride.cdx
csChFnd80/10101813162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    2.7558    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6743    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991    3.7568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737    3.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0109    4.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (473)
4996

>  <Formula> (473)
C19H18ClN9O5S2

>  <MolWeight> (473)
551.98652

>  <Item Name> (473)
Cefozopran hydrochloride

>  <Catalog Number> (473)
S5638

>  <Target> (473)
Others

>  <Form> (473)
free base

>  <URL> (473)
http://selleckchem.com/products/.html

>  <CAS Number> (473)
113981-44-5

$$$$
S5644 Ceftriaxone Sodium.cdx
csChFnd80/10101813162D

 39 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (474)
4998

>  <Formula> (474)
C18H16N8Na2O7S3

>  <MolWeight> (474)
598.54358

>  <Item Name> (474)
Ceftriaxone Sodium

>  <Catalog Number> (474)
S5644

>  <Target> (474)
Others

>  <Form> (474)
free base

>  <URL> (474)
http://selleckchem.com/products/.html

>  <CAS Number> (474)
74578-69-1

$$$$
S5704 Myclobutanil.cdx
csChFnd80/10101813162D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (475)
5010

>  <Formula> (475)
C15H17ClN4

>  <MolWeight> (475)
288.77528

>  <Item Name> (475)
Myclobutanil

>  <Catalog Number> (475)
S5704

>  <Target> (475)
Fungal

>  <Form> (475)
free base

>  <URL> (475)
http://selleckchem.com/products/.html

>  <CAS Number> (475)
88671-89-0

$$$$
S5724 Dichlorophene.cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    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
    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    4.2000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 Cl  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
    1.2124    1.4000    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
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    1.2124    4.2000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 Cl  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  7  1  0  0  0  0
  2  7  2  0  0  0  0
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 10 11  1  0  0  0  0
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 10 17  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (476)
5045

>  <Formula> (476)
C13H10Cl2O2

>  <MolWeight> (476)
269.1233

>  <Item Name> (476)
Dichlorophene

>  <Catalog Number> (476)
S5724

>  <Target> (476)
VDR

>  <Form> (476)
free base

>  <URL> (476)
http://selleckchem.com/products/.html

>  <CAS Number> (476)
97-23-4

$$$$
S5657 Ertapenem sodium.cdx
csChFnd80/10101813162D

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.4800    2.8132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    2.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987    2.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6483    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    4.2317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1046    4.2419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8366    4.6415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2794    1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6644    6.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0483    3.5400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1805    6.9837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    6.3696    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8130    6.1915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6224    5.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1046    1.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4976    6.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1319    4.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7477    4.7577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7046    4.2388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6513    0.7695    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.0805    6.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1997    6.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7834    8.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5035    4.3431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8899    6.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2800    5.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6609    7.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5216    8.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2047    8.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0092    3.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    5.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    5.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    0.7611    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  4  2  2  0  0  0  0
  8  2  1  0  0  0  0
 15  3  2  0  0  0  0
  3  6  1  0  0  0  0
 10  4  1  0  0  0  0
  7  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  5 35  1  6  0  0  0
 19  6  1  0  0  0  0
  6 34  1  1  0  0  0
  7 28  1  1  0  0  0
 20  8  1  0  0  0  0
 24  8  2  0  0  0  0
 12  9  1  6  0  0  0
 13  9  1  0  0  0  0
 23  9  2  0  0  0  0
 18 10  1  6  0  0  0
 11 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 21 13  1  0  0  0  0
 14 16  1  0  0  0  0
 25 14  2  0  0  0  0
 27 14  1  0  0  0  0
 16 22  1  0  0  0  0
 30 16  2  0  0  0  0
 17 18  1  0  0  0  0
 26 18  1  0  0  0  0
 19 29  1  1  0  0  0
 33 19  1  0  0  0  0
 22 21  2  0  0  0  0
 32 21  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (477)
5111

>  <Formula> (477)
C22H24N3NaO7S

>  <MolWeight> (477)
497.49663

>  <Item Name> (477)
Ertapenem sodium

>  <Catalog Number> (477)
S5657

>  <Synonyms> (477)
MK826

>  <Target> (477)
Anti-infection

>  <Form> (477)
sodium salt

>  <URL> (477)
http://selleckchem.com/products/ertapenem-sodium.html

>  <CAS Number> (477)
153773-82-1

$$$$
