RAPAMYCIN.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (1)
27

>  <Formula> (1)
C51H79NO13

>  <MolWeight> (1)
914.17186

>  <Cat> (1)
S1039

>  <Name> (1)
Rapamycin (AY-22989)

>  <Synonyms> (1)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (1)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (1)
free base

>  <CAS> (1)
53123-88-9

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

$$$$
untitled.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (2)
83

>  <Formula> (2)
C31H43N3O8

>  <MolWeight> (2)
585.68842

>  <Cat> (2)
S1141

>  <Name> (2)
Tanespimycin (17-AAG)

>  <Synonyms> (2)
CP127374, NSC-330507, KOS 953

>  <Target> (2)
Apoptosis related,Autophagy,HSP (HSP90),Mitophagy

>  <Form> (2)
free base

>  <CAS> (2)
75747-14-7

>  <URL> (2)
http://selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
Paclitaxel.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (3)
91

>  <Formula> (3)
C47H51NO14

>  <MolWeight> (3)
853.90614

>  <Cat> (3)
S1150

>  <Name> (3)
Paclitaxel (NSC 125973)

>  <Synonyms> (3)
PTX, Taxol, Onxal, Abraxane,NSC 125973

>  <Target> (3)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Microtubule Associated

>  <Form> (3)
free base

>  <CAS> (3)
33069-62-4

>  <URL> (3)
http://selleckchem.com/products/Paclitaxel(Taxol).html

$$$$
Aprepitant.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (4)
114

>  <Formula> (4)
C23H21F7N4O3

>  <MolWeight> (4)
534.4266624

>  <Cat> (4)
S1189

>  <Name> (4)
Aprepitant (MK-0869)

>  <Synonyms> (4)
MK-0869, L-754030, Emend

>  <Target> (4)
CSF-1R,HIV,Interleukins,Neurokinin Receptor,TNF-alpha

>  <Form> (4)
free base

>  <CAS> (4)
170729-80-3

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

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (5)
124

>  <Formula> (5)
C27H30ClNO11

>  <MolWeight> (5)
579.9802

>  <Cat> (5)
S1208

>  <Name> (5)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (5)
NSC 123127, DOX, Doxorubicin hydrochloride, Hydroxydaunorubicin HCl,Adriamycin HCl

>  <Target> (5)
ADC Cytotoxin,AMPK,Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,HIV,Mitophagy,Topoisomerase

>  <Form> (5)
Hydrochloride

>  <CAS> (5)
25316-40-9

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

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/08212509252D

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    9.6995    4.4110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    5.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9077    3.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8393    8.2685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8293    7.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1816    7.6409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5439    8.9932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5540    9.9831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2017    9.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8494    9.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9151   11.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8915    9.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1681    6.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 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 17  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  2  0  0  0  0
 22 29  1  1  0  0  0
 24 30  1  1  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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  1  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  1  0  0  0
M  END
>  <Mol_ID> (6)
132

>  <Formula> (6)
C27H30ClNO11

>  <MolWeight> (6)
579.9802

>  <Cat> (6)
S1223

>  <Name> (6)
Epirubicin (IMI 28) HCl

>  <Synonyms> (6)
Ellence, Pharmorubicin, Epirubicin Ebewe,IMI 28, NSC?256942, 4'-epidoxorubicin,Epirubicin hydrochloride

>  <Target> (6)
Apoptosis related,Topoisomerase

>  <Form> (6)
Hydrochloride

>  <CAS> (6)
56390-09-1

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

$$$$
Etoposide.cdx
csChFnd80/08212509252D

 47 53  0  0  0  0  0  0  0  0999 V2000
    6.0538    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    6.2878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    5.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0579    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    8.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7223    8.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7223    5.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912    9.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9079    9.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   12.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   12.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   13.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   12.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9079    4.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  1  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    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4103    3.1328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    0.7428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  2  1  0  0  0  0
 14 17  2  0  0  0  0
  1 18  1  1  0  0  0
  6 19  1  6  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
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 30  1  6  0  0  0
  3 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 32 38  1  6  0  0  0
 37 39  1  6  0  0  0
 36 40  1  1  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 35  1  0  0  0  0
 34 45  1  6  0  0  0
 35 46  1  1  0  0  0
 43 47  1  6  0  0  0
M  END
>  <Mol_ID> (7)
133

>  <Formula> (7)
C29H32O13

>  <MolWeight> (7)
588.55658

>  <Cat> (7)
S1225

>  <Name> (7)
Etoposide?(VP-16)

>  <Synonyms> (7)
VP-16213,Vepesid,VP-16

>  <Target> (7)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Mitophagy,Topoisomerase

>  <Form> (7)
free base

>  <CAS> (7)
33419-42-0

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

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/08212509252D

 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
  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  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> (8)
189

>  <Formula> (8)
C6H9N3O3

>  <MolWeight> (8)
171.15396

>  <Cat> (8)
S1907

>  <Name> (8)
Metronidazole

>  <Synonyms> (8)
N/A

>  <Target> (8)
Antineoplastic and Immunosuppressive Antibiotics,DNA/RNA Synthesis

>  <Form> (8)
free base

>  <CAS> (8)
443-48-1

>  <URL> (8)
http://selleckchem.com/products/Metronidazole(Flagyl).html

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/08212509252D

 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> (9)
192

>  <Formula> (9)
C10H11N3O3S

>  <MolWeight> (9)
253.27764

>  <Cat> (9)
S1915

>  <Name> (9)
Sulfamethoxazole

>  <Synonyms> (9)
Ro 4-2130

>  <Target> (9)
Antibiotics,Bacterial

>  <Form> (9)
free base

>  <CAS> (9)
723-46-6

>  <URL> (9)
http://selleckchem.com/products/Sulfamethoxazole.html

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/08212509252D

 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> (10)
193

>  <Formula> (10)
C11H13N3O3S

>  <MolWeight> (10)
267.30422

>  <Cat> (10)
S1916

>  <Name> (10)
Sulfisoxazole

>  <Synonyms> (10)
NU-445

>  <Target> (10)
Bacterial

>  <Form> (10)
free base

>  <CAS> (10)
127-69-5

>  <URL> (10)
http://selleckchem.com/products/Sulfisoxazole.html

$$$$
Dexamethasone.cdx
csChFnd80/08212509252D

 30 33  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  2  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
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    6.0580    3.4951    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
    7.4162    5.5875    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
    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
   10.8248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919    6.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2261    6.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8650    8.3190    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  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
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  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
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  2  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (11)
212

>  <Formula> (11)
C22H29FO5

>  <MolWeight> (11)
392.4610632

>  <Cat> (11)
S1322

>  <Name> (11)
Dexamethasone (MK-125)

>  <Synonyms> (11)
NSC 34521, Hexadecadrol, Prednisolone F,MK-125

>  <Target> (11)
Autophagy,Complement System,COVID-19,Glucocorticoid Receptor,IL Receptor,Mitophagy

>  <Form> (11)
free base

>  <CAS> (11)
50-02-2

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

$$$$
Fluconazole.cdx
csChFnd80/08212509252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1000    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    9.4777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.6364    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    5.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6841    4.7670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6209    5.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    7.0198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5515    6.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  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  7  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 10 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 18  1  0  0  0  0
M  END
>  <Mol_ID> (12)
215

>  <Formula> (12)
C13H12F2N6O

>  <MolWeight> (12)
306.2707864

>  <Cat> (12)
S1331

>  <Name> (12)
Fluconazole (UK 49858)

>  <Synonyms> (12)
Diflucan, Trican, Alfumet,UK 49858

>  <Target> (12)
Fungal,P450 (e.g. CYP17)

>  <Form> (12)
free base

>  <CAS> (12)
86386-73-4

>  <URL> (12)
http://selleckchem.com/products/Fluconazole.html

$$$$
Gatifloxacin.cdx
csChFnd80/08212509252D

 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
    4.8455    2.0951    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
    8.4828    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1828    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7828    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 12  2  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 11 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 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (13)
219

>  <Formula> (13)
C19H22FN3O4

>  <MolWeight> (13)
375.3940832

>  <Cat> (13)
S1340

>  <Name> (13)
Gatifloxacin

>  <Synonyms> (13)
AM-1155, CG5501, BMS-206584

>  <Target> (13)
Topoisomerase

>  <Form> (13)
free base

>  <CAS> (13)
112811-59-3

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

$$$$
EpothiloneB.cdx
csChFnd80/08212509252D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.4000    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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 O   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
    7.2704    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    8.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    9.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    9.8471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573   10.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4929    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2454    0.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5143    5.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0324    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    4.0431    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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
  6  2  1  0  0  0  0
 10 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 23 26  1  0  0  0  0
 14 27  2  0  0  0  0
  8 28  1  6  0  0  0
 11 29  1  1  0  0  0
 12 30  1  1  0  0  0
 15 31  2  0  0  0  0
 17 32  1  6  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
  2 35  1  6  0  0  0
M  END
>  <Mol_ID> (14)
230

>  <Formula> (14)
C27H41NO6S

>  <MolWeight> (14)
507.68254

>  <Cat> (14)
S1364

>  <Name> (14)
Patupilone (Epothilone B)

>  <Synonyms> (14)
EPO906

>  <Target> (14)
Microtubule Associated

>  <Form> (14)
free base

>  <CAS> (14)
152044-54-7

>  <URL> (14)
http://selleckchem.com/products/Epothilone-B.html

$$$$
Meropenem.cdx
csChFnd80/08212509252D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6554    6.2206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6554    4.8157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0603    4.8157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0603    6.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3193    6.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4935    5.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3193    4.3815    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0502    7.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0502    3.8257    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6879    2.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4025    4.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867    7.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (15)
238

>  <Formula> (15)
C17H25N3O5S

>  <MolWeight> (15)
383.4625

>  <Cat> (15)
S1381

>  <Name> (15)
Meropenem

>  <Synonyms> (15)
SM 7338

>  <Target> (15)
Antibiotics

>  <Form> (15)
free base

>  <CAS> (15)
96036-03-2

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

$$$$
resveratrol.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (16)
247

>  <Formula> (16)
C14H12O3

>  <MolWeight> (16)
228.24328

>  <Cat> (16)
S1396

>  <Name> (16)
Resveratrol (SRT501)

>  <Synonyms> (16)
trans-Resveratrol,SRT501

>  <Target> (16)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (16)
free base

>  <CAS> (16)
501-36-0

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

$$$$
Tigecycline.cdx
csChFnd80/08212509252D

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>  <Mol_ID> (17)
252

>  <Formula> (17)
C29H39N5O8

>  <MolWeight> (17)
585.64866

>  <Cat> (17)
S1403

>  <Name> (17)
Tigecycline (GAR-936)

>  <Synonyms> (17)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (17)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Bacterial

>  <Form> (17)
free base

>  <CAS> (17)
220620-09-7

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

$$$$
Linezolid.cdx
csChFnd80/08212509252D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (18)
256

>  <Formula> (18)
C16H20FN3O4

>  <MolWeight> (18)
337.3461032

>  <Cat> (18)
S1408

>  <Name> (18)
Linezolid (PNU-100766)

>  <Synonyms> (18)
Zyvoxid, Zyvoxam,PNU-100766

>  <Target> (18)
Antibiotics

>  <Form> (18)
free base

>  <CAS> (18)
165800-03-3

>  <URL> (18)
http://selleckchem.com/products/Linezolid(Zyvox).html

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/08212509252D

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 10  5  1  0  0  0  0
 10 11  2  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 12  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 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 21  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 23 30  1  1  0  0  0
 24 31  1  1  0  0  0
M  END
>  <Mol_ID> (19)
285

>  <Formula> (19)
C21H25ClFN3O4

>  <MolWeight> (19)
437.8923032

>  <Cat> (19)
S1465

>  <Name> (19)
Moxifloxacin (BAY12-8039) HCl

>  <Synonyms> (19)
Avelox, Avalox,BAY12-8039 HCl

>  <Target> (19)
Topoisomerase

>  <Form> (19)
Hydrochloride

>  <CAS> (19)
186826-86-8

>  <URL> (19)
https://www.selleckchem.com/products/Moxifloxacin-hcl.html

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/08212509252D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.5792    3.3765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5792    1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    1.9765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    3.3765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5927    4.3630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657    4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657    0.9900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9557    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9523    1.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    5.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.7794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2854    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6806    5.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2854    7.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    4.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    3.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7328    6.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428    5.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6854    7.9877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1180    9.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9854   10.1420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528    9.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4449    9.7503    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  1  1  0  0  0  0
  1  5  1  1  0  0  0
  4  6  1  6  0  0  0
  2  7  2  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
  8 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 17 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 17  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (20)
307

>  <Formula> (20)
C13H17N5O8S2

>  <MolWeight> (20)
435.43278

>  <Cat> (20)
S1505

>  <Name> (20)
Aztreonam

>  <Synonyms> (20)
SQ 26776

>  <Target> (20)
Antibiotics,Bacterial

>  <Form> (20)
free base

>  <CAS> (20)
78110-38-0

>  <URL> (20)
http://selleckchem.com/products/Aztreonam(Azactam).html

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/08212509252D

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.4291    9.8219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4291    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8624    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    9.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458   10.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    7.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    9.8219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    9.8219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9246   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    9.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495   10.5219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5619    9.8219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7743   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9868    9.8219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1992   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    9.8219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6241   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    9.8219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    7.7171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    6.3122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4333    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    5.6098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.6199    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6199    7.7146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8365    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0489   10.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    8.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    8.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495   11.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    8.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9868    8.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0489    7.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0489    6.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2614    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    3.5073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.6241    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8407    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0574    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0574    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8407    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2698    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2698    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116   11.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6133    6.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    4.9122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  6  0  0  0
  2  7  1  6  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
 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
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 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 36  1  0  0  0  0
 36 37  2  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 41  1  0  0  0  0
 41 21  1  0  0  0  0
 23 42  1  6  0  0  0
 21 43  1  6  0  0  0
 19 44  1  0  0  0  0
 40 44  1  0  0  0  0
 22 45  1  1  0  0  0
  9 46  1  1  0  0  0
 11 47  1  1  0  0  0
 14 48  1  1  0  0  0
 15 49  1  1  0  0  0
 17 50  1  1  0  0  0
 41 51  1  1  0  0  0
 51 52  1  0  0  0  0
 51 53  2  0  0  0  0
 38 54  1  1  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 55  1  0  0  0  0
 56 61  1  6  0  0  0
 57 62  1  6  0  0  0
 59 63  1  6  0  0  0
 58 64  1  1  0  0  0
 19 65  1  1  0  0  0
 40 66  1  1  0  0  0
 55 67  1  1  0  0  0
M  END
>  <Mol_ID> (21)
330

>  <Formula> (21)
C47H73NO17

>  <MolWeight> (21)
924.07902

>  <Cat> (21)
S1636

>  <Name> (21)
Amphotericin B

>  <Synonyms> (21)
NSC 527017

>  <Target> (21)
Antibiotics,Antibiotics for Mammalian Cell Culture

>  <Form> (21)
free base

>  <CAS> (21)
1397-89-3

>  <URL> (21)
http://selleckchem.com/products/Amphotericin-B(Abelcet).html

$$$$
Clarithromycin.cdx
csChFnd80/08212509252D

 52 54  0  0  0  0  0  0  0  0999 V2000
    1.3523   10.1176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3523    8.7176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5642    8.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5642   10.8207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9911    8.0176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2061    8.7176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2061   10.1176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9911   10.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5673    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    5.9207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9911    6.6176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5673   12.2207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9911   12.2207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7792   12.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6771    5.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0771    8.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6771    8.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9795    9.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7747    9.5080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8333    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2334    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9334    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2334    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8333    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1358    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1458    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1458    3.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1458    4.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1439    6.6250    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
  1  4  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 13  1  0  0  0  0
  4 12  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 14 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 16  2  0  0  0  0
 12 17  1  1  0  0  0
  4 18  1  1  0  0  0
  1 19  1  1  0  0  0
 10 20  1  1  0  0  0
  7 21  1  1  0  0  0
 21 22  1  0  0  0  0
 13 23  1  6  0  0  0
  2 24  1  6  0  0  0
  1 25  1  6  0  0  0
  5 26  1  6  0  0  0
  7 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 33 34  1  6  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 28 37  1  1  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 40  1  0  0  0  0
 45 46  1  1  0  0  0
 42 47  1  1  0  0  0
 43 48  1  6  0  0  0
 41 49  1  6  0  0  0
 43 50  1  1  0  0  0
 50 51  1  0  0  0  0
 11 46  1  6  0  0  0
  6 37  1  6  0  0  0
 24 52  1  0  0  0  0
M  END
>  <Mol_ID> (22)
332

>  <Formula> (22)
C38H69NO13

>  <MolWeight> (22)
747.95336

>  <Cat> (22)
S2555

>  <Name> (22)
Clarithromycin

>  <Synonyms> (22)
A-56268

>  <Target> (22)
P450 (e.g. CYP17)

>  <Form> (22)
free base

>  <CAS> (22)
81103-11-9

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

$$$$
Ampicillin sodium.cdx
csChFnd80/08212509252D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.7413    2.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.2790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2255    4.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    5.2408    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    4.2004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6537    3.5004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9537    2.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    0.9899    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7039    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.3161    0.9357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    6.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561    4.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    2.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3483    3.2351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6336    1.5205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0060    3.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7106    4.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7207    5.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    6.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4353    7.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4253    6.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0629    4.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3382    2.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8036    5.5527    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
  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 12  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 16 19  1  0  0  0  0
 16 25  1  1  0  0  0
  6 18  1  6  0  0  0
  5 26  1  1  0  0  0
M  END
>  <Mol_ID> (23)
336

>  <Formula> (23)
C16H18N3NaO4S

>  <MolWeight> (23)
371.38659

>  <Cat> (23)
S3170

>  <Name> (23)
Ampicillin sodium

>  <Synonyms> (23)
D-(-)-¦Á-Aminobenzylpenicillin sodium salt

>  <Target> (23)
Antibiotics,Antibiotics for Mammalian Cell Culture,Selection Antibiotics for Transfected Cell

>  <Form> (23)
Sodium

>  <CAS> (23)
69-52-3

>  <URL> (23)
http://selleckchem.com/products/ampicillin-sodium.html

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/08212509252D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8404    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8404    2.7927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2652    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2652    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    4.8927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4404    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4735    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6817    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2610    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8446    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538    1.8062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8404    5.5927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    5.5927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    6.2878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (24)
356

>  <Formula> (24)
C14H13N5O5S2

>  <MolWeight> (24)
395.41352

>  <Cat> (24)
S1605

>  <Name> (24)
Cefdinir

>  <Synonyms> (24)
FK 482, PD 134393, CI-983

>  <Target> (24)
Antibiotics,Bacterial

>  <Form> (24)
free base

>  <CAS> (24)
91832-40-5

>  <URL> (24)
http://selleckchem.com/products/Cefdinir(Omnicef).html

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/08212509252D

 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> (25)
357

>  <Formula> (25)
C22H17ClN2

>  <MolWeight> (25)
344.83678

>  <Cat> (25)
S1606

>  <Name> (25)
Clotrimazole

>  <Synonyms> (25)
BAY b 5097, FB 5097

>  <Target> (25)
Antineoplastic and Immunosuppressive Antibiotics,Fungal

>  <Form> (25)
free base

>  <CAS> (25)
23593-75-1

>  <URL> (25)
http://selleckchem.com/products/Clotrimazole(Canesten).html

$$$$
SULLA (sulfameter).cdx
csChFnd80/08212509252D

 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> (26)
365

>  <Formula> (26)
C11H12N4O3S

>  <MolWeight> (26)
280.30298

>  <Cat> (26)
S1618

>  <Name> (26)
Sulfameter

>  <Synonyms> (26)
N/A

>  <Target> (26)
Bacterial

>  <Form> (26)
free base

>  <CAS> (26)
651-06-9

>  <URL> (26)
http://selleckchem.com/products/Sulfameter(Bayrena).html

$$$$
ALBENZA (albendazole).cdx
csChFnd80/08212509252D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    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
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    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  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
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (27)
377

>  <Formula> (27)
C12H15N3O2S

>  <MolWeight> (27)
265.3314

>  <Cat> (27)
S1640

>  <Name> (27)
Albendazole (SKF-62979)

>  <Synonyms> (27)
SKF-62979

>  <Target> (27)
ADC Cytotoxin,Microtubule Associated

>  <Form> (27)
free base

>  <CAS> (27)
54965-21-8

>  <URL> (27)
http://selleckchem.com/products/Albendazole(Albenza).html

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/08212509252D

 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> (28)
380

>  <Formula> (28)
C6H6N4O4

>  <MolWeight> (28)
198.13624

>  <Cat> (28)
S1644

>  <Name> (28)
Nitrofural

>  <Synonyms> (28)
Nitrofurazone

>  <Target> (28)
Anti-infection

>  <Form> (28)
free base

>  <CAS> (28)
59-87-0

>  <URL> (28)
http://selleckchem.com/products/Nitrofurazone(ACTIN-N).html

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/08212509252D

  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> (29)
395

>  <Formula> (29)
C4H4FN3O

>  <MolWeight> (29)
129.0924632

>  <Cat> (29)
S1666

>  <Name> (29)
Flucytosine

>  <Synonyms> (29)
5-Fluorocytosine, 5-FC, NSC 103805, Ro 2-9915

>  <Target> (29)
Fungal

>  <Form> (29)
free base

>  <CAS> (29)
2022-85-7

>  <URL> (29)
http://selleckchem.com/products/Flucytosine(Ancobon).html

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/08212509252D

 35 38  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  0  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
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    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
    7.2704    5.6000    0.0000 C   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
    4.8455    1.4000    0.0000 H   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
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    6.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5114    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503   10.0337    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  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
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (30)
396

>  <Formula> (30)
C24H31ClO7

>  <MolWeight> (30)
466.95174

>  <Cat> (30)
S1669

>  <Name> (30)
Loteprednol etabonate

>  <Synonyms> (30)
N/A

>  <Target> (30)
Glucocorticoid Receptor

>  <Form> (30)
free base

>  <CAS> (30)
82034-46-6

>  <URL> (30)
http://selleckchem.com/products/Loteprednol-etabonate.html

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/08212509252D

 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> (31)
399

>  <Formula> (31)
C21H36ClNO

>  <MolWeight> (31)
353.96964

>  <Cat> (31)
S1676

>  <Name> (31)
Amorolfine HCl

>  <Synonyms> (31)
Ro 14-4767 HCl

>  <Target> (31)
Fungal

>  <Form> (31)
Hydrochloride

>  <CAS> (31)
78613-38-4

>  <URL> (31)
http://selleckchem.com/products/Amorolfine-Hydrochloride.html

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/08212509252D

 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> (32)
400

>  <Formula> (32)
C11H12Cl2N2O5

>  <MolWeight> (32)
323.12938

>  <Cat> (32)
S1677

>  <Name> (32)
Chloramphenicol

>  <Synonyms> (32)
Chloromycetin

>  <Target> (32)
Antibiotics for Plant Cell Culture,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (32)
free base

>  <CAS> (32)
56-75-7

>  <URL> (32)
http://selleckchem.com/products/Chloramphenicol(Chloromycetin).html

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/08212509252D

 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
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  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  2  0  0  0  0
 13 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 17  1  0  0  0  0
M  END
>  <Mol_ID> (33)
407

>  <Formula> (33)
C19H24N2O2

>  <MolWeight> (33)
312.40606

>  <Cat> (33)
S1691

>  <Name> (33)
Praziquantel

>  <Synonyms> (33)
N/A

>  <Target> (33)
COVID-19,Parasite

>  <Form> (33)
free base

>  <CAS> (33)
55268-74-1

>  <URL> (33)
http://selleckchem.com/products/Praziquantel(Biltricide).html

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/08212509252D

  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> (34)
441

>  <Formula> (34)
C5H5N3O

>  <MolWeight> (34)
123.1127

>  <Cat> (34)
S1762

>  <Name> (34)
Pyrazinamide

>  <Synonyms> (34)
Pyrazinoic Acid Amide

>  <Target> (34)
Bacterial

>  <Form> (34)
free base

>  <CAS> (34)
98-96-4

>  <URL> (34)
http://selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/08212509252D

 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
    7.2321    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (35)
443

>  <Formula> (35)
C25H28N6O7S3

>  <MolWeight> (35)
620.72082

>  <Cat> (35)
S1768

>  <Name> (35)
Cefditoren Pivoxil

>  <Synonyms> (35)
ME-1207

>  <Target> (35)
Antibiotics,Bacterial

>  <Form> (35)
free base

>  <CAS> (35)
117467-28-4

>  <URL> (35)
http://selleckchem.com/products/Cefditoren-pivoxil.html

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/08212509252D

 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> (36)
444

>  <Formula> (36)
C10H10N4O2S

>  <MolWeight> (36)
250.277

>  <Cat> (36)
S1770

>  <Name> (36)
Sulfadiazine

>  <Synonyms> (36)
N/A

>  <Target> (36)
Antibiotics

>  <Form> (36)
free base

>  <CAS> (36)
68-35-9

>  <URL> (36)
http://selleckchem.com/products/Sulfadiazine.html

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/08212509252D

 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
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686    1.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  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  9  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
  6 19  2  0  0  0  0
  3 20  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 10 23  2  0  0  0  0
 14 24  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 13  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  1  0  0  0
  5 31  1  6  0  0  0
  4 32  1  6  0  0  0
  7 33  1  6  0  0  0
  8 34  1  6  0  0  0
 11 35  1  6  0  0  0
M  END
>  <Mol_ID> (37)
446

>  <Formula> (37)
C22H24N2O9

>  <MolWeight> (37)
460.43396

>  <Cat> (37)
S1773

>  <Name> (37)
Oxytetracycline (Terramycin)

>  <Synonyms> (37)
Terramycin

>  <Target> (37)
Antibiotics,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (37)
free base

>  <CAS> (37)
79-57-2

>  <URL> (37)
http://selleckchem.com/products/Oxytetracycline(Terramycin).html

$$$$
Thiotepa.cdx
csChFnd80/08212509252D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.6124    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
448

>  <Formula> (38)
C6H12N3PS

>  <MolWeight> (38)
189.218341

>  <Cat> (38)
S1775

>  <Name> (38)
Thiotepa

>  <Synonyms> (38)
Tiofosyl, Tiofosfamid, Triethylenethiophosphoramide

>  <Target> (38)
Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (38)
free base

>  <CAS> (38)
52-24-4

>  <URL> (38)
http://selleckchem.com/products/thiotepa-thioplex.html

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/08212509252D

 11 11  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
    0.0042    4.8927    0.0000 S   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
    3.6331    0.0024    0.0000 C   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
  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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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (39)
449

>  <Formula> (39)
C8H10N2S

>  <MolWeight> (39)
166.2434

>  <Cat> (39)
S1777

>  <Name> (39)
Ethionamide

>  <Synonyms> (39)
Bayer 5312

>  <Target> (39)
Antibiotics

>  <Form> (39)
free base

>  <CAS> (39)
536-33-4

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/08212509252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    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  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  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
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (40)
451

>  <Formula> (40)
C8H12N4O5

>  <MolWeight> (40)
244.20468

>  <Cat> (40)
S1782

>  <Name> (40)
Azacitidine (5-Azacytidine)

>  <Synonyms> (40)
5-AzaC,Ladakamycin, AZA,5-Aza, CC-486,NSC 102816,5-Azacytidine

>  <Target> (40)
Autophagy,DNA Methyltransferase,Nucleoside Analog/Antimetabolite

>  <Form> (40)
free base

>  <CAS> (40)
320-67-2

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

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/08212509252D

 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
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  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 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (41)
452

>  <Formula> (41)
C10H13N5O4

>  <MolWeight> (41)
267.24132

>  <Cat> (41)
S1784

>  <Name> (41)
Vidarabine

>  <Synonyms> (41)
N/A

>  <Target> (41)
DNA/RNA Synthesis

>  <Form> (41)
free base

>  <CAS> (41)
5536-17-4

>  <URL> (41)
http://selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/08212509252D

 57 62  0  0  0  0  0  0  0  0999 V2000
    4.8497    9.9259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    8.5259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    9.9259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622   10.6259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.6259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    7.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415   10.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    7.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (42)
454

>  <Formula> (42)
C43H51N3O11

>  <MolWeight> (42)
785.87854

>  <Cat> (42)
S1790

>  <Name> (42)
Rifaximin

>  <Synonyms> (42)
N/A

>  <Target> (42)
DNA/RNA Synthesis

>  <Form> (42)
free base

>  <CAS> (42)
80621-81-4

>  <URL> (42)
http://selleckchem.com/products/Rifaximin(Xifaxan).html

$$$$
Acyclovir.cdx
csChFnd80/08212509252D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (43)
461

>  <Formula> (43)
C8H11N5O3

>  <MolWeight> (43)
225.20464

>  <Cat> (43)
S1807

>  <Name> (43)
Aciclovir (BW 248U)

>  <Synonyms> (43)
Acyclovir, Acycloguanosine, Zovirax, ACV, NSC 645011,BW 248U

>  <Target> (43)
Antiviral,Apoptosis related,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite

>  <Form> (43)
free base

>  <CAS> (43)
59277-89-3

>  <URL> (43)
http://selleckchem.com/products/Acyclovir(Aciclovir).html

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/08212509252D

 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> (44)
467

>  <Formula> (44)
C9H5Cl2NO

>  <MolWeight> (44)
214.0481

>  <Cat> (44)
S1839

>  <Name> (44)
Chloroxine

>  <Synonyms> (44)
N/A

>  <Target> (44)
Bacterial

>  <Form> (44)
free base

>  <CAS> (44)
773-76-2

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

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/08212509252D

 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> (45)
474

>  <Formula> (45)
C6H7N3O

>  <MolWeight> (45)
137.13928

>  <Cat> (45)
S1937

>  <Name> (45)
Isoniazid

>  <Synonyms> (45)
N/A

>  <Target> (45)
Fatty Acid Synthase

>  <Form> (45)
free base

>  <CAS> (45)
54-85-3

>  <URL> (45)
http://selleckchem.com/products/Isoniazid(Tubizid).html

$$$$
LEVOFLOXACIN (levofloxacin).cdx
csChFnd80/08212509252D

 27 30  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
    3.6289    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2665    6.9474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 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  1  0  0  0  0
 13 27  1  6  0  0  0
M  END
>  <Mol_ID> (46)
475

>  <Formula> (46)
C18H20FN3O4

>  <MolWeight> (46)
361.3675032

>  <Cat> (46)
S1940

>  <Name> (46)
Levofloxacin

>  <Synonyms> (46)
Fluoroquinolone

>  <Target> (46)
Topoisomerase

>  <Form> (46)
Free Base

>  <CAS> (46)
100986-85-4

>  <URL> (46)
http://selleckchem.com/products/levofloxacin-levaquin.html

$$$$
Miconazole nitrate.cdx
csChFnd80/08212509252D

 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> (47)
480

>  <Formula> (47)
C18H15Cl4N3O4

>  <MolWeight> (47)
479.1414

>  <Cat> (47)
S1956

>  <Name> (47)
Miconazole Nitrate

>  <Synonyms> (47)
NSC 169434 Nitrate

>  <Target> (47)
Fungal

>  <Form> (47)
Nitrate

>  <CAS> (47)
22832-87-7

>  <URL> (47)
http://selleckchem.com/products/Miconazole-nitrate.html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/08212509252D

 41 42  0  0  0  0  0  0  0  0999 V2000
    6.0368    8.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0302    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3872    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574   10.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4004    9.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4453    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307    7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4353    7.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3737    6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    4.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3605    4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7241    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    8.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    9.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    8.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    9.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   10.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4654   10.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224   11.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1861   12.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927   13.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8356   13.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720   11.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9402    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 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 10  1  0  0  0  0
  1 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
 20 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
 32 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (48)
484

>  <Formula> (48)
C32H37NO8

>  <MolWeight> (48)
563.63808

>  <Cat> (48)
S1972

>  <Name> (48)
Tamoxifen (ICI 46474) Citrate

>  <Synonyms> (48)
Istubal,ICI 46474 Citrate

>  <Target> (48)
Apoptosis related,Autophagy,Estrogen/progestogen Receptor,HSP (HSP90)

>  <Form> (48)
Citrate

>  <CAS> (48)
54965-24-1

>  <URL> (48)
http://selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

$$$$
Hordenine.cdx
csChFnd80/08212509252D

 12 12  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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0024    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
  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
  2 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (49)
517

>  <Formula> (49)
C10H15NO

>  <MolWeight> (49)
165.2322

>  <Cat> (49)
S2385

>  <Name> (49)
Hordenine

>  <Synonyms> (49)
N/A

>  <Target> (49)
Antibiotics,Bacterial

>  <Form> (49)
free base

>  <CAS> (49)
539-15-1

>  <URL> (49)
http://selleckchem.com/products/Hordenine.html

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/08212509252D

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6229    0.0000 C   0  0  0  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
    1.2124    6.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.7229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    6.0229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.7229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.7229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.6229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.1181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.1181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    7.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    7.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7579    4.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    4.4707    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  2  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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
  3 19  1  0  0  0  0
 11 20  1  0  0  0  0
  7 21  2  0  0  0  0
  7  8  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 17 26  1  0  0  0  0
 13 27  1  6  0  0  0
 18 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 14 31  1  6  0  0  0
  9 32  1  6  0  0  0
 10 33  1  1  0  0  0
 10 34  1  6  0  0  0
 12 35  1  6  0  0  0
M  END
>  <Mol_ID> (50)
527

>  <Formula> (50)
C22H28N2O11

>  <MolWeight> (50)
496.46452

>  <Cat> (50)
S2052

>  <Name> (50)
Oxytetracycline Dihydrate

>  <Synonyms> (50)
N/A

>  <Target> (50)
Antibiotics,Bacterial

>  <Form> (50)
Dihydrate

>  <CAS> (50)
6153-64-6

>  <URL> (50)
http://selleckchem.com/products/oxytetracycline-dihydrate.html

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/08212509252D

 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
    4.6280    5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    4.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    7.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    4.4210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    8.6137    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    3.0234    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6322    2.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5358    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4726    3.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7726    4.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    4.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (51)
530

>  <Formula> (51)
C16H13Cl3N2OS

>  <MolWeight> (51)
387.71122

>  <Cat> (51)
S1910

>  <Name> (51)
Tioconazole

>  <Synonyms> (51)
UK-20349

>  <Target> (51)
Fungal

>  <Form> (51)
free base

>  <CAS> (51)
65899-73-2

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

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/08212509252D

 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
    7.3937    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (52)
531

>  <Formula> (52)
C13H21ClN6O4

>  <MolWeight> (52)
360.79664

>  <Cat> (52)
S1876

>  <Name> (52)
Valaciclovir HCl

>  <Synonyms> (52)
N/A

>  <Target> (52)
CMV

>  <Form> (52)
Hydrochloride

>  <CAS> (52)
124832-27-5

>  <URL> (52)
http://selleckchem.com/products/valaciclovir-hcl.html

$$$$
PENETREX (enoxacin).cdx
csChFnd80/08212509252D

 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
    7.2704    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  3  4  2  0  0  0  0
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 10 11  1  0  0  0  0
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 12  7  1  0  0  0  0
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 16  5  1  0  0  0  0
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 16 18  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (53)
537

>  <Formula> (53)
C15H17FN4O3

>  <MolWeight> (53)
320.3188832

>  <Cat> (53)
S1756

>  <Name> (53)
Enoxacin

>  <Synonyms> (53)
AT-2266, CI919, Pd107779, NSC 629661

>  <Target> (53)
Topoisomerase

>  <Form> (53)
free base

>  <CAS> (53)
74011-58-8

>  <URL> (53)
http://selleckchem.com/products/Enoxacin(Penetrex).html

$$$$
PA-824.cdx
csChFnd80/08212509252D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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 18 19  1  0  0  0  0
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 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> (54)
547

>  <Formula> (54)
C14H12F3N3O5

>  <MolWeight> (54)
359.2573896

>  <Cat> (54)
S1162

>  <Name> (54)
Pretomanid (PA-824)

>  <Synonyms> (54)
N/A

>  <Target> (54)
Bacterial

>  <Form> (54)
free base

>  <CAS> (54)
187235-37-6

>  <URL> (54)
http://selleckchem.com/products/pa-824.html

$$$$
Pefloxacine mesylate.cdx
csChFnd80/08212509252D

 29 30  0  0  0  0  0  0  0  0999 V2000
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   10.8993    9.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    7.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4704    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0753    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
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 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
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 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  7  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 21  2  0  0  0  0
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 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (55)
551

>  <Formula> (55)
C18H24FN3O6S

>  <MolWeight> (55)
429.4630632

>  <Cat> (55)
S1855

>  <Name> (55)
Pefloxacin Mesylate

>  <Synonyms> (55)
Pefloxacinium mesylate

>  <Target> (55)
Bacterial

>  <Form> (55)
Mesylate

>  <CAS> (55)
70458-95-6

>  <URL> (55)
http://selleckchem.com/products/pefloxacin-mesylate.html

$$$$
Azomycin.cdx
csChFnd80/08212509252D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
>  <Mol_ID> (56)
602

>  <Formula> (56)
C3H3N3O2

>  <MolWeight> (56)
113.07482

>  <Cat> (56)
S2267

>  <Name> (56)
Azomycin

>  <Synonyms> (56)
2-Nitroimidazole

>  <Target> (56)
Others

>  <Form> (56)
free base

>  <CAS> (56)
527-73-1

>  <URL> (56)
http://selleckchem.com/products/Azomycin(2-Nitroimidazole).html

$$$$
Daunomycin HCL.cdx
csChFnd80/08212509252D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2292    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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 14  9  1  0  0  0  0
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 18 13  1  0  0  0  0
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 19 20  1  0  0  0  0
 10 21  2  0  0  0  0
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 14 23  1  0  0  0  0
 11 24  1  0  0  0  0
 18 25  1  1  0  0  0
 16 26  1  1  0  0  0
 16 27  1  6  0  0  0
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 27 29  2  0  0  0  0
 25 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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  1  0  0  0
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 32 39  1  1  0  0  0
M  END
>  <Mol_ID> (57)
611

>  <Formula> (57)
C27H30ClNO10

>  <MolWeight> (57)
563.9808

>  <Cat> (57)
S3035

>  <Name> (57)
Daunorubicin (RP 13057) HCl

>  <Synonyms> (57)
Daunomycin HCl, Rubidomycin HCl

>  <Target> (57)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,COVID-19,DNA/RNA Synthesis,Topoisomerase

>  <Form> (57)
Hydrochloride

>  <CAS> (57)
23541-50-6

>  <URL> (57)
http://selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

$$$$
Dexamethasone acetate.cdx
csChFnd80/08212509252D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.8199    3.5000    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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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  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
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  5 26  1  1  0  0  0
 14 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
 17 32  1  6  0  0  0
 16 33  1  6  0  0  0
M  END
>  <Mol_ID> (58)
632

>  <Formula> (58)
C24H31FO6

>  <MolWeight> (58)
434.4977432

>  <Cat> (58)
S3124

>  <Name> (58)
Dexamethasone Acetate

>  <Synonyms> (58)
NSC 39471,Dexamethasone 21-acetate

>  <Target> (58)
Complement System,COVID-19,IL Receptor

>  <Form> (58)
free base

>  <CAS> (58)
1177-87-3

>  <URL> (58)
http://selleckchem.com/products/dexamethasone-acetate.html

$$$$
Nadifloxacin.cdx
csChFnd80/08212509252D

 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
    3.6373    4.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7006    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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  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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  5 10  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  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
 20 21  1  0  0  0  0
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 22 25  1  0  0  0  0
 13 19  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
638

>  <Formula> (59)
C19H21FN2O4

>  <MolWeight> (59)
360.3794432

>  <Cat> (59)
S3105

>  <Name> (59)
Nadifloxacin

>  <Synonyms> (59)
OPC-7251

>  <Target> (59)
Antibiotics

>  <Form> (59)
free base

>  <CAS> (59)
124858-35-1

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

$$$$
Tebipenem pivoxil.cdx
csChFnd80/08212509252D

 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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    5.1564    7.8555    0.0000 C   0  0  2  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
   12.0017   11.8278    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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  7  4  1  0  0  0  0
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 10 11  1  0  0  0  0
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 10 20  2  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
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 29 30  1  0  0  0  0
 30  9  1  0  0  0  0
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 35 31  2  0  0  0  0
M  END
>  <Mol_ID> (60)
643

>  <Formula> (60)
C22H31N3O6S2

>  <MolWeight> (60)
497.62804

>  <Cat> (60)
S2159

>  <Name> (60)
Tebipenem Pivoxil

>  <Synonyms> (60)
L-084, ME1211,TBPM-PI,LJC 11036

>  <Target> (60)
Antibiotics

>  <Form> (60)
free base

>  <CAS> (60)
161715-24-8

>  <URL> (60)
http://selleckchem.com/products/Tebipenem-pivoxil(L-084).html

$$$$
Ornidazole.cdx
csChFnd80/08212509252D

 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
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    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
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (61)
652

>  <Formula> (61)
C7H10ClN3O3

>  <MolWeight> (61)
219.6256

>  <Cat> (61)
S3121

>  <Name> (61)
Ornidazole

>  <Synonyms> (61)
Ro7-0207, NSC 95075

>  <Target> (61)
Bacterial

>  <Form> (61)
free base

>  <CAS> (61)
16773-42-5

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

$$$$
ivermectin.cdx
csChFnd80/08212509252D

 68 74  0  0  0  0  0  0  0  0999 V2000
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    6.1051    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3176    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5300    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8969   10.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5927    6.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0927    2.8503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0582    7.0073    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
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 18 22  1  6  0  0  0
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 50 51  1  0  0  0  0
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 53 54  1  0  0  0  0
 50 55  1  1  0  0  0
 49 56  1  6  0  0  0
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M  END
>  <Mol_ID> (62)
656

>  <Formula> (62)
C48H74O14

>  <MolWeight> (62)
875.09276

>  <Cat> (62)
S1351

>  <Name> (62)
Ivermectin (MK-933)

>  <Synonyms> (62)
MK-933

>  <Target> (62)
AChR,Autophagy,Chloride Channel,COVID-19,HIV,Mitophagy,P2 Receptor

>  <Form> (62)
Free Base

>  <CAS> (62)
70288-86-7

>  <URL> (62)
http://selleckchem.com/products/Ivermectin.html

$$$$
AVC (sulfanilamide).cdx
csChFnd80/08212509252D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.3951    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5903    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (63)
657

>  <Formula> (63)
C6H8N2O2S

>  <MolWeight> (63)
172.20492

>  <Cat> (63)
S1685

>  <Name> (63)
Sulfanilamide

>  <Synonyms> (63)
N/A

>  <Target> (63)
Bacterial

>  <Form> (63)
free base

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

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

$$$$

csChFnd80/08212509252D

 52 54  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4243    4.2962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4274    2.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0516   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4281    1.3523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.6406    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4281    4.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8488    4.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4181    0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8488    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7704    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  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8 13  1  0  0  0  0
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 31 32  1  0  0  0  0
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 35 30  1  0  0  0  0
 34 36  1  1  0  0  0
 32 37  1  1  0  0  0
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 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
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 46 41  1  0  0  0  0
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 52 41  1  6  0  0  0
M  END
>  <Mol_ID> (64)
689

>  <Formula> (64)
C38H72N2O12

>  <MolWeight> (64)
748.98448

>  <Cat> (64)
s1835

>  <Name> (64)
Azithromycin (CP-62993)

>  <Synonyms> (64)
XZ-450,CP-62993

>  <Target> (64)
Antibiotics,Antibiotics for Mammalian Cell Culture,Autophagy,Bacterial,COVID-19

>  <Form> (64)
Free Base

>  <CAS> (64)
83905-01-5

>  <URL> (64)
http://selleckchem.com/products/azithromycin-zithromax.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/08212509252D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
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  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  1  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
 13 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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (65)
692

>  <Formula> (65)
C20H18ClNO4

>  <MolWeight> (65)
371.81422

>  <Cat> (65)
S2271

>  <Name> (65)
Berberine chloride (NSC 646666)

>  <Synonyms> (65)
Natural Yellow 18 chloride

>  <Target> (65)
Anti-infection,Apoptosis related,Autophagy,Bcl-2,Caspase,IAP,JNK,p38 MAPK,P450 (e.g. CYP17),PARP,ROS,Topoisomerase

>  <Form> (65)
chloride

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

>  <URL> (65)
http://selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Cyclosporin A.cdx
csChFnd80/08212509252D

 85 85  0  0  0  0  0  0  0  0999 V2000
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    6.0664    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   11.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   12.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663   10.5244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1497   11.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5788   11.2244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5788   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   13.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   14.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1455   15.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6621    9.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9867    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7065    5.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1141    5.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5189    5.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8165    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9837   11.2244    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 13  1  1  0  0  0
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 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 25 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
  6 35  1  1  0  0  0
  1 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 10 40  1  0  0  0  0
 17 41  1  0  0  0  0
 41 42  1  6  0  0  0
 14 43  2  0  0  0  0
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 23 50  1  0  0  0  0
 29 51  1  0  0  0  0
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 54 55  1  0  0  0  0
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 57 58  1  0  0  0  0
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 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
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 29 64  1  6  0  0  0
 56 65  1  6  0  0  0
 53 66  1  1  0  0  0
 59 67  1  1  0  0  0
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 71 72  1  0  0  0  0
 57 73  1  0  0  0  0
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 67 75  1  0  0  0  0
 67 76  1  0  0  0  0
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M  END
>  <Mol_ID> (66)
700

>  <Formula> (66)
C62H111N11O12

>  <MolWeight> (66)
1202.61124

>  <Cat> (66)
S2286

>  <Name> (66)
Cyclosporin A (NSC 290193)

>  <Synonyms> (66)
Cyclosporine A, Cyclosporine, Ciclosporin, CsA,NSC 290193

>  <Target> (66)
Antineoplastic and Immunosuppressive Antibiotics,Complement System,Immunology & Inflammation related,phosphatase

>  <Form> (66)
free base

>  <CAS> (66)
59865-13-3

>  <URL> (66)
http://selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

$$$$
Honokiol.cdx
csChFnd80/08212509252D

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    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    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  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
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  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (67)
717

>  <Formula> (67)
C18H18O2

>  <MolWeight> (67)
266.33432

>  <Cat> (67)
S2310

>  <Name> (67)
Honokiol (NSC 293100)

>  <Synonyms> (67)
N/A

>  <Target> (67)
Akt,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,HCV,MEK

>  <Form> (67)
free base

>  <CAS> (67)
35354-74-6

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

$$$$
Nalidixic acid.cdx
csChFnd80/08212509252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (68)
731

>  <Formula> (68)
C12H12N2O3

>  <MolWeight> (68)
232.23528

>  <Cat> (68)
S2328

>  <Name> (68)
Nalidixic acid

>  <Synonyms> (68)
NSC-82174

>  <Target> (68)
Selection Antibiotics for Transfected Cell,Topoisomerase

>  <Form> (68)
free base

>  <CAS> (68)
389-08-2

>  <URL> (68)
http://selleckchem.com/products/Nalidixic-acid(NegGram).html

$$$$
Fenbendazole.cdx
csChFnd80/08212509252D

 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> (69)
769

>  <Formula> (69)
C15H13N3O2S

>  <MolWeight> (69)
299.34762

>  <Cat> (69)
S2468

>  <Name> (69)
Fenbendazole

>  <Synonyms> (69)
Fenbendazol,Phenbendasol

>  <Target> (69)
Parasite

>  <Form> (69)
free base

>  <CAS> (69)
43210-67-9

>  <URL> (69)
http://selleckchem.com/products/Fenbendazole(Panacur).html

$$$$
Lincomycin  HCl.cdx
csChFnd80/08212509252D

 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> (70)
773

>  <Formula> (70)
C18H35ClN2O6S

>  <MolWeight> (70)
442.9983

>  <Cat> (70)
S2479

>  <Name> (70)
Lincomycin HCl

>  <Synonyms> (70)
Lincocin, NSC 70731,U10149A

>  <Target> (70)
Antibiotics for Mammalian Cell Culture,Anti-infection

>  <Form> (70)
Hydrochloride

>  <CAS> (70)
859-18-7

>  <URL> (70)
http://selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

$$$$
Mycophenolic acid.cdx
csChFnd80/08212509252D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0495    4.1903    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
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
  7 14  2  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 12 17  2  0  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 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (71)
786

>  <Formula> (71)
C17H20O6

>  <MolWeight> (71)
320.3371

>  <Cat> (71)
S2487

>  <Name> (71)
Mycophenolic acid

>  <Synonyms> (71)
Mycophenolate, RS-61443

>  <Target> (71)
Antineoplastic and Immunosuppressive Antibiotics,Dehydrogenase,Selection Antibiotics for Transfected Cell

>  <Form> (71)
free base

>  <CAS> (71)
24280-93-1

>  <URL> (71)
http://selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

$$$$
Novobiocin sodium.cdx
csChFnd80/08212509252D

 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
 24 25  2  0  0  0  0
 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
  6 36  1  0  0  0  0
 10 37  1  0  0  0  0
 15 38  2  0  0  0  0
 26 39  1  0  0  0  0
 25 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (72)
789

>  <Formula> (72)
C31H35N2NaO11

>  <MolWeight> (72)
634.60617

>  <Cat> (72)
S2492

>  <Name> (72)
Novobiocin Sodium (NSC 2382)

>  <Synonyms> (72)
Albamycin,Cathomycin,NSC 2382

>  <Target> (72)
Antineoplastic and Immunosuppressive Antibiotics,Topoisomerase

>  <Form> (72)
Sodium Salt

>  <CAS> (72)
1476-53-5

>  <URL> (72)
http://selleckchem.com/products/Novobiocin-sodium(Albamycin).html

$$$$
Ribavirin.cdx
csChFnd80/08212509252D

 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
    1.9550    2.4051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    1.3647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1707    1.9341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0244    3.3264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5675    2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    4.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    5.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1938    6.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    5.6523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4838    7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8107    8.0175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471    8.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9847    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  1  1  0  0  0  0
  2  6  1  1  0  0  0
  5  7  1  1  0  0  0
  4  8  1  6  0  0  0
  3  9  1  6  0  0  0
  7 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  7  1  0  0  0  0
 12 14  1  0  0  0  0
 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> (73)
797

>  <Formula> (73)
C8H12N4O5

>  <MolWeight> (73)
244.20468

>  <Cat> (73)
S2504

>  <Name> (73)
Ribavirin (ICN-1229)

>  <Synonyms> (73)
NSC-163039, RTCA, Tribavirin

>  <Target> (73)
Antiviral

>  <Form> (73)
free base

>  <CAS> (73)
36791-04-5

>  <URL> (73)
http://selleckchem.com/products/Ribavirin(Copegus).html

$$$$
Spectinomycin  HCl.cdx
csChFnd80/08212509252D

 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
    2.4165    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    4.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  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
  9 16  1  1  0  0  0
  8 17  1  1  0  0  0
  3 18  1  1  0  0  0
  2 19  1  1  0  0  0
  1 20  1  1  0  0  0
  6 21  1  6  0  0  0
  5 22  1  6  0  0  0
 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> (74)
801

>  <Formula> (74)
C14H26Cl2N2O7

>  <MolWeight> (74)
405.27144

>  <Cat> (74)
S2510

>  <Name> (74)
Spectinomycin 2HCl

>  <Synonyms> (74)
Actinospectacin

>  <Target> (74)
Antibiotics,Antibiotics for Mammalian Cell Culture,Selection Antibiotics for Transfected Cell

>  <Form> (74)
dihydrochloride

>  <CAS> (74)
21736-83-4

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

$$$$
Sulfadoxine.cdx
csChFnd80/08212509252D

 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
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438    4.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2620    1.4000    0.0000 N   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    1.4000    0.0000 N   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
    8.4744    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    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
  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
 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> (75)
802

>  <Formula> (75)
C12H14N4O4S

>  <MolWeight> (75)
310.32896

>  <Cat> (75)
S2511

>  <Name> (75)
Sulfadoxine

>  <Synonyms> (75)
Sulphadoxine

>  <Target> (75)
Anti-infection

>  <Form> (75)
free base

>  <CAS> (75)
2447-57-6

>  <URL> (75)
http://selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/08212509252D

 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
    0.0000    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    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
  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
 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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (76)
803

>  <Formula> (76)
C21H26ClN

>  <MolWeight> (76)
327.89084

>  <Cat> (76)
S2557

>  <Name> (76)
Terbinafine HCl

>  <Synonyms> (76)
KWD 201,KWD 2019,TDT 067 hydrochloride

>  <Target> (76)
Fungal

>  <Form> (76)
Hydrochloride

>  <CAS> (76)
78628-80-5

>  <URL> (76)
http://selleckchem.com/products/Terbinafine-hydrochloride-Lamisil.html

$$$$
Isoconazole nitrate.cdx
csChFnd80/08212509252D

 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
    3.6331    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8413    8.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.2653    9.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653   10.6111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6784    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.2325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8054    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (77)
815

>  <Formula> (77)
C18H15Cl4N3O4

>  <MolWeight> (77)
479.1414

>  <Cat> (77)
S2534

>  <Name> (77)
Isoconazole nitrate

>  <Synonyms> (77)
Travogen,Adestan G 100, R 15454

>  <Target> (77)
Fungal

>  <Form> (77)
Nitrate

>  <CAS> (77)
24168-96-5

>  <URL> (77)
http://selleckchem.com/products/Isoconazole-nitrate-Travogen.html

$$$$
Econazole nitrate.cdx
csChFnd80/08212509252D

 28 29  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
    4.8413    4.1927    0.0000 C   0  0  0  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
    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
   12.0991    0.0024    0.0000 Cl  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
   13.7489    3.6750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.4465    4.8832    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.4465    2.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3537    3.6750    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
  5  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 10 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
 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> (78)
816

>  <Formula> (78)
C18H16Cl3N3O4

>  <MolWeight> (78)
444.69634

>  <Cat> (78)
S2535

>  <Name> (78)
Econazole nitrate

>  <Synonyms> (78)
NSC 243115,Spectazole

>  <Target> (78)
Calcium Channel,Fungal

>  <Form> (78)
Nitrate

>  <CAS> (78)
24169-02-6

>  <URL> (78)
http://selleckchem.com/products/Econazole-nitrate-Spectazole.html

$$$$
Miconazole.cdx
csChFnd80/08212509252D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.5903    0.0000 C   0  0  3  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
    7.2620    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.6208    4.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9902    3.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    5.1169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7534    6.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    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
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  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  1  0  0  0  0
 13 14  1  0  0  0  0
 12 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 12  1  0  0  0  0
 14 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 14  1  0  0  0  0
 15 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (79)
817

>  <Formula> (79)
C18H14Cl4N2O

>  <MolWeight> (79)
416.12856

>  <Cat> (79)
S2536

>  <Name> (79)
Miconazole

>  <Synonyms> (79)
Monistat,R18134

>  <Target> (79)
Fungal

>  <Form> (79)
Free Base

>  <CAS> (79)
22916-47-8

>  <URL> (79)
http://selleckchem.com/products/Miconazole-Monistat.html

$$$$
Secnidazole.cdx
csChFnd80/08212509252D

 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> (80)
818

>  <Formula> (80)
C7H11N3O3

>  <MolWeight> (80)
185.18054

>  <Cat> (80)
S2537

>  <Name> (80)
Secnidazole

>  <Synonyms> (80)
PM 185184, RP 14539

>  <Target> (80)
Anti-infection

>  <Form> (80)
free base

>  <CAS> (80)
3366-95-8

>  <URL> (80)
http://selleckchem.com/products/Secnidazole-Flagentyl.html

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/08212509252D

 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
    8.6011    3.5146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8136    2.8146    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0260    3.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0260    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8136    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    3.5146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8136    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2342    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6054    7.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0218    7.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4425    4.9146    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6507    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8589    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6507    7.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0053    3.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3747    3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0747    4.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1379    5.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2146    5.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6011    2.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    2.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9887    2.8146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    1.0818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    4.5769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075    1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.5668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6455    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325    6.1324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5067    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  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
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 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
 15 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 15  2  0  0  0  0
  7 21  2  0  0  0  0
  2 22  1  1  0  0  0
  8 23  1  1  0  0  0
  8 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  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  1  0  0  0  0
 35 29  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (81)
831

>  <Formula> (81)
C19H18ClN5O7S3

>  <MolWeight> (81)
560.02352

>  <Cat> (81)
S2543

>  <Name> (81)
Ceftiofur HCl

>  <Synonyms> (81)
U-67279A,Excenel hydrochloride

>  <Target> (81)
Antibiotics,Bacterial

>  <Form> (81)
Hydrochloride

>  <CAS> (81)
103980-44-5

>  <URL> (81)
http://selleckchem.com/products/Ceftiofur-hydrochloride.html

$$$$
erythromycin.cdx
csChFnd80/08212509252D

 52 54  0  0  0  0  0  0  0  0999 V2000
    6.2951    8.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951    9.6679    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2951   10.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951   10.8803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1951    9.6679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8951    8.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   12.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    9.6679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0951    8.4554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7951    7.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    6.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7000    6.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8951    6.0306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2951    6.0306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7951   11.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827   10.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    7.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    3.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    4.8223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    9.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927   12.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    3.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    2.2099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9927    7.2388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5927    0.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9470    1.3523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2931    0.9975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5932    2.2099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2388    1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    5.9859    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3622    4.7734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7083    5.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    4.7734    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7627    5.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4165    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7788    6.9536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7923    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1264    7.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4626    4.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    3.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3450    6.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2051    7.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1035    5.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9932    2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6454    1.3598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1932    3.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3521    3.7835    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  1  0  0  0
  4  7  1  1  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  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
  9 19  1  6  0  0  0
 19 20  1  0  0  0  0
 15 21  1  6  0  0  0
 14 22  1  6  0  0  0
 16 23  1  6  0  0  0
  2 24  1  6  0  0  0
  3 25  2  0  0  0  0
 12 26  1  1  0  0  0
 22 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28  1  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 27  1  0  0  0  0
 34 35  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 23 35  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 37 43  1  1  0  0  0
 28 45  1  6  0  0  0
 28 46  1  1  0  0  0
 38 37  1  0  0  0  0
 36 37  1  0  0  0  0
 35 36  1  0  0  0  0
 27 29  1  1  0  0  0
 39 40  1  6  0  0  0
 34 47  1  6  0  0  0
 30 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 48  1  1  0  0  0
 32 44  1  0  0  0  0
 32 49  1  6  0  0  0
 31 50  1  1  0  0  0
 44 51  1  0  0  0  0
 35 52  1  1  0  0  0
M  END
>  <Mol_ID> (82)
833

>  <Formula> (82)
C37H67NO13

>  <MolWeight> (82)
733.92678

>  <Cat> (82)
s1635

>  <Name> (82)
Erythromycin

>  <Synonyms> (82)
E-Mycin

>  <Target> (82)
Antibiotics,Antibiotics for Mammalian Cell Culture

>  <Form> (82)
Free Base

>  <CAS> (82)
114-07-8

>  <URL> (82)
http://selleckchem.com/products/Erythromycin(E-Mycin).html

$$$$
Cloxacillin sodium.cdx
csChFnd80/08212509252D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.9743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9743    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7058    3.5340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5287    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058    5.7993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    3.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    5.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.4773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   10.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368   10.2749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9878    2.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1369    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    1.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5015    1.9171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0469   10.3832    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.3743    6.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5910    0.0000    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  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  4  1  0  0  0  0
  1  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  2  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  5 27  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  4 31  1  6  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (83)
842

>  <Formula> (83)
C19H19ClN3NaO6S

>  <MolWeight> (83)
475.87843

>  <Cat> (83)
S2564

>  <Name> (83)
Cloxacillin Sodium

>  <Synonyms> (83)
Cloxacap,BRL 1621 sodium salt

>  <Target> (83)
Anti-infection

>  <Form> (83)
Sodium Salt & hydrate

>  <CAS> (83)
7081-44-9

>  <URL> (83)
http://selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

$$$$
Amoxicillin sodium.cdx
csChFnd80/08212509252D

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8660    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8660    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.4795    4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.6688   15.6189    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6478    0.7147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  9 11  2  0  0  0  0
 12 10  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 12  1  0  0  0  0
  8 16  1  6  0  0  0
 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  1  0  0  0
 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> (84)
899

>  <Formula> (84)
C16H18N3NaO5S

>  <MolWeight> (84)
387.38599

>  <Cat> (84)
S2565

>  <Name> (84)
Amoxicillin Sodium

>  <Synonyms> (84)
Clavulanate,Amoxycillin sodium

>  <Target> (84)
Antibiotics,Bacterial

>  <Form> (84)
Sodium Salt

>  <CAS> (84)
34642-77-8

>  <URL> (84)
http://selleckchem.com/products/amoxicillin-amox.html

$$$$
Geldanamycin.cdx
csChFnd80/08212509252D

 40 41  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.4118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.2118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.5118    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    5.2118    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9035    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    3.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.2118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4474    2.6792    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2703    3.8118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4474    4.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    3.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7011    3.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8785    6.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6655    3.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8785    1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3630    2.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6655    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7582    2.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    7.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
  6 25  1  0  0  0  0
 25  4  1  0  0  0  0
 25 26  2  0  0  0  0
 13 27  1  1  0  0  0
 21 28  1  1  0  0  0
 16 29  1  1  0  0  0
 11 30  2  0  0  0  0
 17 31  1  6  0  0  0
 14 32  1  0  0  0  0
 24 33  1  0  0  0  0
 23 34  1  6  0  0  0
 22 35  1  1  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 31 39  1  0  0  0  0
 35 40  1  0  0  0  0
M  END
>  <Mol_ID> (85)
900

>  <Formula> (85)
C29H40N2O9

>  <MolWeight> (85)
560.6359

>  <Cat> (85)
S2713

>  <Name> (85)
Geldanamycin (NSC 122750)

>  <Synonyms> (85)
NSC 122750

>  <Target> (85)
Antineoplastic and Immunosuppressive Antibiotics,Antiviral,Autophagy,HSP (HSP90)

>  <Form> (85)
free base

>  <CAS> (85)
30562-34-6

>  <URL> (85)
http://selleckchem.com/products/geldanamycin.html

$$$$
Bifonazole.cdx
csChFnd80/08212509252D

 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
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  5  6  2  0  0  0  0
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  7  8  1  0  0  0  0
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 13  9  1  0  0  0  0
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 18  8  1  0  0  0  0
 16 19  1  0  0  0  0
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (86)
955

>  <Formula> (86)
C22H18N2

>  <MolWeight> (86)
310.39172

>  <Cat> (86)
S1854

>  <Name> (86)
Bifonazole

>  <Synonyms> (86)
Bay h 4502,(¡À)-bifonazole

>  <Target> (86)
Fungal

>  <Form> (86)
free base

>  <CAS> (86)
60628-96-8

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

$$$$
Ganciclovir.cdx
csChFnd80/08212509252D

 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
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    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
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    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
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    7.2628    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1963    3.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9921    1.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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> (87)
957

>  <Formula> (87)
C9H13N5O4

>  <MolWeight> (87)
255.23062

>  <Cat> (87)
S1878

>  <Name> (87)
Ganciclovir (BW 759)

>  <Synonyms> (87)
RS-21592, BW-759, 2'-Nor-2'-deoxyguanosine

>  <Target> (87)
CMV

>  <Form> (87)
free base

>  <CAS> (87)
82410-32-0

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

$$$$
Sulphadimethoxine.cdx
csChFnd80/08212509252D

 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
    4.8455    2.0903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431    3.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480    0.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    1.3951    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
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  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  4  1  0  0  0  0
  2 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  2  1  0  0  0  0
  9 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (88)
959

>  <Formula> (88)
C12H14N4O4S

>  <MolWeight> (88)
310.32896

>  <Cat> (88)
S1962

>  <Name> (88)
Sulphadimethoxine

>  <Synonyms> (88)
N/A

>  <Target> (88)
Anti-infection

>  <Form> (88)
free base

>  <CAS> (88)
122-11-2

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

$$$$
Cefoperazone acid.cdx
csChFnd80/08212509252D

 45 49  0  0  0  0  0  0  0  0999 V2000
    5.8404   11.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404   10.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    9.6324    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6653   10.3324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6653   11.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   12.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529   13.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611   14.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446   14.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   12.9009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3605   11.0545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5356    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    2.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8779    2.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2402    4.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3235    8.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6758    8.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0381    9.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3857   10.1673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1880    2.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1510    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  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  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  5  1  0  0  0  0
  1  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 18 14  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  2  0  0  0  0
  7 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 26 27  1  0  0  0  0
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 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
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 28  1  0  0  0  0
 25 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
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 38 39  2  0  0  0  0
 39 25  1  0  0  0  0
 37 40  1  0  0  0  0
 30 41  2  0  0  0  0
 31 42  2  0  0  0  0
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 43 44  1  0  0  0  0
  4 45  1  6  0  0  0
M  END
>  <Mol_ID> (89)
962

>  <Formula> (89)
C25H27N9O8S2

>  <MolWeight> (89)
645.66738

>  <Cat> (89)
S1611

>  <Name> (89)
Cefoperazone

>  <Synonyms> (89)
N/A

>  <Target> (89)
Antibiotics

>  <Form> (89)
free base

>  <CAS> (89)
62893-19-0

>  <URL> (89)
http://selleckchem.com/products/cefoperazone-cefobid.html

$$$$
NATACYN (natamycin).cdx
csChFnd80/08212509252D

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (90)
964

>  <Formula> (90)
C33H47NO13

>  <MolWeight> (90)
665.72518

>  <Cat> (90)
S1517

>  <Name> (90)
Natamycin

>  <Synonyms> (90)
Pimaricin

>  <Target> (90)
Fungal

>  <Form> (90)
free base

>  <CAS> (90)
7681-93-8

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

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (91)
965

>  <Formula> (91)
C47H75NO17

>  <MolWeight> (91)
926.0949

>  <Cat> (91)
S1934

>  <Name> (91)
Nystatin (Fungicidin)

>  <Synonyms> (91)
Fungicidin

>  <Target> (91)
Antibiotics for Mammalian Cell Culture,Fungal

>  <Form> (91)
free base

>  <CAS> (91)
62997-67-5

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

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/08212509252D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (92)
973

>  <Formula> (92)
C22H25ClN2O8

>  <MolWeight> (92)
480.8955

>  <Cat> (92)
S2574

>  <Name> (92)
Tetracycline HCl

>  <Synonyms> (92)
NCI-c55561

>  <Target> (92)
Antibiotics,Antibiotics for Mammalian Cell Culture,Selection Antibiotics for Transfected Cell

>  <Form> (92)
Hydrochloride

>  <CAS> (92)
64-75-5

>  <URL> (92)
http://selleckchem.com/products/tetracycline-hydrochloride.html

$$$$
Thiamphenicol.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (93)
974

>  <Formula> (93)
C12H15Cl2NO5S

>  <MolWeight> (93)
356.2222

>  <Cat> (93)
S2583

>  <Name> (93)
Thiamphenicol

>  <Synonyms> (93)
Thiophenicol,Dextrosulphenidol

>  <Target> (93)
Antibiotics

>  <Form> (93)
free base

>  <CAS> (93)
15318-45-3

>  <URL> (93)
http://selleckchem.com/products/thiamphenicol-thiophenicol.html

$$$$
10-DAB.cdx
csChFnd80/08212509252D

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   10.0138    8.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2514   10.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (94)
978

>  <Formula> (94)
C29H36O10

>  <MolWeight> (94)
544.59014

>  <Cat> (94)
S2409

>  <Name> (94)
10-Deacetylbaccatin-III

>  <Synonyms> (94)
10-DB III

>  <Target> (94)
Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (94)
free base

>  <CAS> (94)
32981-86-5

>  <URL> (94)
http://selleckchem.com/products/10-dab-10-deacetylbaccatin.html

$$$$
Cephalomannine.cdx
csChFnd80/08212509252D

 61 66  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (95)
979

>  <Formula> (95)
C45H53NO14

>  <MolWeight> (95)
831.90062

>  <Cat> (95)
S2408

>  <Name> (95)
Cephalomannine

>  <Synonyms> (95)
Baccatin III

>  <Target> (95)
Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (95)
free base

>  <CAS> (95)
71610-00-9

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

$$$$
Dacarbazine.cdx
csChFnd80/08212509252D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (96)
1003

>  <Formula> (96)
C6H10N6O

>  <MolWeight> (96)
182.1832

>  <Cat> (96)
S1221

>  <Name> (96)
Dacarbazine (NSC-45388)

>  <Synonyms> (96)
DTIC-Dome, Imidazole Carboxamide,NSC-45388

>  <Target> (96)
Antineoplastic and Immunosuppressive Antibiotics,DNA/RNA Synthesis

>  <Form> (96)
free base

>  <CAS> (96)
4342-03-4

>  <URL> (96)
http://selleckchem.com/products/Dacarbazine.html

$$$$
Sulfamerazine.cdx
csChFnd80/08212509252D

 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
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 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> (97)
1014

>  <Formula> (97)
C11H12N4O2S

>  <MolWeight> (97)
264.30358

>  <Cat> (97)
S3132

>  <Name> (97)
Sulfamerazine

>  <Synonyms> (97)
RP 2632,sulphamerazine

>  <Target> (97)
Bacterial

>  <Form> (97)
free base

>  <CAS> (97)
127-79-7

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

$$$$
Sulfamethazine.cdx
csChFnd80/08212509252D

 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> (98)
1015

>  <Formula> (98)
C12H14N4O2S

>  <MolWeight> (98)
278.33016

>  <Cat> (98)
S3133

>  <Name> (98)
Sulfamethazine

>  <Synonyms> (98)
Sulfadimidine,Sulfadimerazine

>  <Target> (98)
Bacterial

>  <Form> (98)
free base

>  <CAS> (98)
57-68-1

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

$$$$
Trimethoprim.cdx
csChFnd80/08212509252D

 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> (99)
1017

>  <Formula> (99)
C14H18N4O3

>  <MolWeight> (99)
290.31772

>  <Cat> (99)
S3129

>  <Name> (99)
Trimethoprim

>  <Synonyms> (99)
BW 56-72, NIH 204, NSC-106568

>  <Target> (99)
Antibiotics,Bacterial,DHFR

>  <Form> (99)
free base

>  <CAS> (99)
738-70-5

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

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/08212509252D

 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> (100)
1022

>  <Formula> (100)
C23H28ClN

>  <MolWeight> (100)
353.92812

>  <Cat> (100)
S3154

>  <Name> (100)
Butenafine HCl

>  <Synonyms> (100)
KP-363

>  <Target> (100)
Fungal

>  <Form> (100)
HCl

>  <CAS> (100)
101827-46-7

>  <URL> (100)
http://selleckchem.com/products/butenafine-hydrochloride.html

$$$$
Tylosin tartrate.cdx
csChFnd80/08212509252D

 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
    8.4702   13.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   15.5182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8951   16.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   15.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951   17.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    8.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157   16.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282   14.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   12.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   14.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364   13.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   12.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6331   13.4158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    1.2082   12.0158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207   11.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   15.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   16.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   14.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   13.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    9.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282   11.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5444    7.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5444    6.1051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7568    5.4051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.9692    6.1051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.9692    7.5051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7568    8.2051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1775    8.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7568    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3361    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    0.7951    2.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6449    3.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573    1.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4324    0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200    3.7552    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
  5  1  1  0  0  0  0
  4  6  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
 12 13  1  0  0  0  0
 13  5  2  0  0  0  0
 11 14  1  0  0  0  0
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 16 12  2  0  0  0  0
 15 17  2  0  0  0  0
  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
  1 26  1  1  0  0  0
 26 27  1  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 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
 32 36  1  6  0  0  0
 34 37  1  0  0  0  0
 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
 47 42  1  0  0  0  0
 46 48  1  6  0  0  0
 44 49  1  6  0  0  0
 43 50  1  1  0  0  0
 45 51  1  1  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 41 47  1  0  0  0  0
 47 54  1  6  0  0  0
 49 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 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
 58 64  1  1  0  0  0
 55 65  1  6  0  0  0
 24 66  2  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 67 71  2  0  0  0  0
 67 72  1  0  0  0  0
 70 73  2  0  0  0  0
 70 74  1  0  0  0  0
 69 75  1  6  0  0  0
 68 76  1  6  0  0  0
M  END
>  <Mol_ID> (101)
1024

>  <Formula> (101)
C50H83NO23

>  <MolWeight> (101)
1066.18692

>  <Cat> (101)
S3162

>  <Name> (101)
Tylosin tartrate

>  <Synonyms> (101)
N/A

>  <Target> (101)
Antibiotics,Antibiotics for Mammalian Cell Culture

>  <Form> (101)
Tartrate

>  <CAS> (101)
74610-55-2

>  <URL> (101)
http://selleckchem.com/products/tylosin-tartrate.html

$$$$
Carbenicillin disodium.cdx
csChFnd80/08212509252D

 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> (102)
1028

>  <Formula> (102)
C17H16N2Na2O6S

>  <MolWeight> (102)
422.36328

>  <Cat> (102)
S3179

>  <Name> (102)
Carbenicillin disodium

>  <Synonyms> (102)
BRL-2064,¦Á-carboxybenzylpenicillin

>  <Target> (102)
Antibiotics,Antibiotics for Plant Cell Culture,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (102)
Disodium

>  <CAS> (102)
4800-94-6

>  <URL> (102)
http://selleckchem.com/products/carbenicillin-disodium.html

$$$$
Flumequine.cdx
csChFnd80/08212509252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    4.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    2.8017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.1017    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2114    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    6.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    7.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    7.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    4.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2735    0.0015    0.0000 F   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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
  2 17  2  0  0  0  0
  6 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (103)
1030

>  <Formula> (103)
C14H12FNO3

>  <MolWeight> (103)
261.2483832

>  <Cat> (103)
S3181

>  <Name> (103)
Flumequine

>  <Synonyms> (103)
R-802

>  <Target> (103)
Topoisomerase

>  <Form> (103)
free base

>  <CAS> (103)
42835-25-6

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

$$$$
Ticarcillin sodium.cdx
csChFnd80/08212509252D

 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
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 17 19  1  0  0  0  0
 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> (104)
1031

>  <Formula> (104)
C15H16N2Na2O6S2

>  <MolWeight> (104)
430.40688

>  <Cat> (104)
S3193

>  <Name> (104)
Ticarcillin sodium

>  <Synonyms> (104)
AB 2288, BRL 2288

>  <Target> (104)
Antibiotics,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (104)
Sodium

>  <CAS> (104)
29457-07-6

>  <URL> (104)
http://selleckchem.com/products/ticarcillin-sodium.html

$$$$
Azlocillin sodium salt.cdx
csChFnd80/08212509252D

 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
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  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
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  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
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 11 12  1  0  0  0  0
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  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
M  END
>  <Mol_ID> (105)
1032

>  <Formula> (105)
C20H23N5NaO6S

>  <MolWeight> (105)
484.48129

>  <Cat> (105)
S3195

>  <Name> (105)
Azlocillin sodium salt

>  <Synonyms> (105)
N/A

>  <Target> (105)
Bacterial

>  <Form> (105)
Sodium Salt

>  <CAS> (105)
37091-65-9

>  <URL> (105)
http://selleckchem.com/products/azlocillin-sodium-salt.html

$$$$
Sulfathiazole.cdx
csChFnd80/08212509252D

 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
    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
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.4210    2.6048    0.0000 S   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
    8.5536    0.6430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    2.8958    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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 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> (106)
1047

>  <Formula> (106)
C9H9N3O2S2

>  <MolWeight> (106)
255.31666

>  <Cat> (106)
S3116

>  <Name> (106)
Sulfathiazole

>  <Synonyms> (106)
N/A

>  <Target> (106)
Anti-infection

>  <Form> (106)
free base

>  <CAS> (106)
72-14-0

>  <URL> (106)
http://selleckchem.com/products/sulfathiazole.html

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/08212509252D

 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
   28.6340    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2972    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0848    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4216    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8464    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2091    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8464    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6340    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6340    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8464    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0589    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0589    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   11.6599    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8724    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2350    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.3555    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9555    5.2500    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  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
  1 15  2  0  0  0  0
  1 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 12 19  2  0  0  0  0
  3 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 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> (107)
1071

>  <Formula> (107)
C22H32Cl4N10

>  <MolWeight> (107)
578.36848

>  <Cat> (107)
S3067

>  <Name> (107)
Chlorhexidine?2HCl

>  <Synonyms> (107)
NSC-185

>  <Target> (107)
Anti-infection

>  <Form> (107)
HCl

>  <CAS> (107)
3697-42-5

>  <URL> (107)
http://selleckchem.com/products/chlorhexidine-hcl.html

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/08212509252D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8388    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0568    4.1919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6374    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0568    5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731    1.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    5.6165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2179    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6833    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9012    5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6833    7.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    6.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9012    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    7.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3205    8.4218    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  1  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (108)
1084

>  <Formula> (108)
C22H19ClO3

>  <MolWeight> (108)
366.83746

>  <Cat> (108)
S3079

>  <Name> (108)
Atovaquone

>  <Synonyms> (108)
Atavaquone

>  <Target> (108)
COVID-19,Fungal,Parasite

>  <Form> (108)
free base

>  <CAS> (108)
95233-18-4

>  <URL> (108)
http://selleckchem.com/products/atovaquone-atavaquone.html

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/08212509252D

 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
    4.8644   11.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334   11.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    9.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    8.4049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4333    8.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    9.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2831    8.4049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    9.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4955   10.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121   11.2122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7121   12.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955   13.3195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6355   13.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246   10.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   13.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8742    9.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0764   14.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4955    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7121    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9288    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    6.3049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7121    7.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    7.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8582    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    4.1976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6458    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4291    7.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290    3.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    3.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8502    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    2.0976    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
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  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 11  1  0  0  0  0
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 15 24  1  1  0  0  0
 16 25  1  1  0  0  0
  9 26  1  1  0  0  0
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 34 29  1  0  0  0  0
 29 21  1  6  0  0  0
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 31 36  1  6  0  0  0
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 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 47  1  0  0  0  0
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 18 58  1  0  0  0  0
 36 59  1  0  0  0  0
 36 60  1  0  0  0  0
M  END
>  <Mol_ID> (109)
1152

>  <Formula> (109)
C43H75NO16

>  <MolWeight> (109)
862.0527

>  <Cat> (109)
S4060

>  <Name> (109)
Erythromycin Ethylsuccinate

>  <Synonyms> (109)
N/A

>  <Target> (109)
Antibiotics,Bacterial

>  <Form> (109)
free base

>  <CAS> (109)
1264-62-6

>  <URL> (109)
http://selleckchem.com/products/erythromycin-ethylsuccinate.html

$$$$
Protionamide.cdx
csChFnd80/08212509252D

 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
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    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
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 S   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
  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> (110)
1157

>  <Formula> (110)
C9H12N2S

>  <MolWeight> (110)
180.26998

>  <Cat> (110)
S1881

>  <Name> (110)
Protionamide

>  <Synonyms> (110)
Prothionamide, 1321-TH

>  <Target> (110)
Bacterial

>  <Form> (110)
free base

>  <CAS> (110)
14222-60-7

>  <URL> (110)
http://selleckchem.com/products/protionamide-prothionamide.html

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/08212509252D

 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
    6.0538    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
    8.5410    2.2257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    3.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    3.1203    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  1  0  0  0  0
 12 13  2  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> (111)
1158

>  <Formula> (111)
C9H10N4O2S2

>  <MolWeight> (111)
270.3313

>  <Cat> (111)
S1957

>  <Name> (111)
Sulfamethizole

>  <Synonyms> (111)
N/A

>  <Target> (111)
Bacterial

>  <Form> (111)
free base

>  <CAS> (111)
144-82-1

>  <URL> (111)
http://selleckchem.com/products/Sulfamethizole(Proklar).html

$$$$
Sulbactam.cdx
csChFnd80/08212509252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.9865    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3865    1.7849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3865    3.1849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    3.6175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    0.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180    4.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    4.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3469    5.9551    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  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  4  1  0  0  0  0
  1  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  3 11  1  1  0  0  0
  5 12  2  0  0  0  0
  5 13  2  0  0  0  0
  7 14  1  6  0  0  0
  7 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (112)
1160

>  <Formula> (112)
C8H11NO5S

>  <MolWeight> (112)
233.24164

>  <Cat> (112)
S1958

>  <Name> (112)
Sulbactam

>  <Synonyms> (112)
CP45899

>  <Target> (112)
Anti-infection

>  <Form> (112)
free base

>  <CAS> (112)
68373-14-8

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

$$$$
Diclazuril.cdx
csChFnd80/08212509252D

 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
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    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
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 Cl  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  3  0  0  0  0  0  0  0  0  0
    7.2704    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0024    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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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
 10 16  1  0  0  0  0
 16 17  3  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (113)
1164

>  <Formula> (113)
C17H9Cl3N4O2

>  <MolWeight> (113)
407.63796

>  <Cat> (113)
S2028

>  <Name> (113)
Diclazuril

>  <Synonyms> (113)
R-64433

>  <Target> (113)
Parasite

>  <Form> (113)
free base

>  <CAS> (113)
101831-37-2

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

$$$$
Fenticonazole nitrate.cdx
csChFnd80/08212509252D

 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
    6.0538    5.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    7.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    7.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    7.7246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    7.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    7.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    7.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    1.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    1.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    2.3633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    3.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7221    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.5294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4660    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.1636    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.1636    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0708    1.2082    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
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 12  3  1  0  0  0  0
  6 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  2  0  0  0  0
 17  6  1  0  0  0  0
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 18 19  1  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
  7 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28  7  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (114)
1166

>  <Formula> (114)
C24H21Cl2N3O4S

>  <MolWeight> (114)
518.41224

>  <Cat> (114)
S2031

>  <Name> (114)
Fenticonazole Nitrate

>  <Synonyms> (114)
Lomexin,REC 15-1476,Falvin

>  <Target> (114)
Fungal

>  <Form> (114)
Nitrate

>  <CAS> (114)
73151-29-8

>  <URL> (114)
http://selleckchem.com/products/fenticonazole-nitrate.html

$$$$
Balofloxacin.cdx
csChFnd80/08212509252D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8413    2.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.6076    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    1.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.3051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4051    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  1 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  1  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 22  2  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (115)
1171

>  <Formula> (115)
C20H24FN3O4

>  <MolWeight> (115)
389.4206632

>  <Cat> (115)
S2064

>  <Name> (115)
Balofloxacin

>  <Synonyms> (115)
Q-35,Q-roxin

>  <Target> (115)
Topoisomerase

>  <Form> (115)
free base

>  <CAS> (115)
127294-70-6

>  <URL> (115)
http://selleckchem.com/products/balofloxacin.html

$$$$
Roxithromycin.cdx
csChFnd80/08212509252D

 58 60  0  0  0  0  0  0  0  0999 V2000
    6.0433   10.0886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0433    8.6886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2552    7.9886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6821    6.5886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.6821   12.1916    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3174   10.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 31  1  6  0  0  0
 27 33  1  0  0  0  0
  9 34  2  0  0  0  0
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 36 30  1  1  0  0  0
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 40 47  1  6  0  0  0
 38 48  1  6  0  0  0
 43 49  1  6  0  0  0
  7 50  1  1  0  0  0
 37 51  1  1  0  0  0
 48 52  1  0  0  0  0
 48 53  1  0  0  0  0
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 44 57  1  1  0  0  0
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M  END
>  <Mol_ID> (116)
1199

>  <Formula> (116)
C41H76N2O15

>  <MolWeight> (116)
837.04654

>  <Cat> (116)
S2506

>  <Name> (116)
Roxithromycin

>  <Synonyms> (116)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin,RU-28965

>  <Target> (116)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (116)
free base

>  <CAS> (116)
80214-83-1

>  <URL> (116)
http://selleckchem.com/products/Roxithromycin(Roxl-150).html

$$$$
Sulbactam sodium.cdx
csChFnd80/08212509252D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9865    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    1.7849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7180    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    3.6175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    0.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0602    4.2451    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    4.3469    5.9551    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  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  4  1  0  0  0  0
  1  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  3 11  1  1  0  0  0
  5 12  2  0  0  0  0
  5 13  2  0  0  0  0
  7 14  1  6  0  0  0
  7 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (117)
1201

>  <Formula> (117)
C8H10NNaO5S

>  <MolWeight> (117)
255.22347

>  <Cat> (117)
S2551

>  <Name> (117)
Sulbactam sodium

>  <Synonyms> (117)
Unasyn, CP-45899-2

>  <Target> (117)
¦Â-lactamase

>  <Form> (117)
Sodium  salt

>  <CAS> (117)
69388-84-7

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

$$$$
amoxicillin.cdx
csChFnd80/08212509252D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6744    4.1963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.1951    6.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    7.5992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    7.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    7.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    6.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    5.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    5.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3910    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  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  4  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  6  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  1  0  0  0
  4 14  1  6  0  0  0
  2 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (118)
1208

>  <Formula> (118)
C16H19N3O5S

>  <MolWeight> (118)
365.40416

>  <Cat> (118)
S3015

>  <Name> (118)
Amoxicillin

>  <Synonyms> (118)
Amoxycillin

>  <Target> (118)
Antibiotics,Bacterial

>  <Form> (118)
Free Base

>  <CAS> (118)
26787-78-0

>  <URL> (118)
http://selleckchem.com/products/amoxicillin-amoxycillin.html

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/08212509252D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.9879    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
    4.8413    6.9879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    8.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    8.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8903    0.0000 C   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
    7.2620    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    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
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  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  4  1  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 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
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  1 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28  1  1  0  0  0  0
M  END
>  <Mol_ID> (119)
1214

>  <Formula> (119)
C18H14N4O5S

>  <MolWeight> (119)
398.39256

>  <Cat> (119)
S1576

>  <Name> (119)
Sulfasalazine (NSC 667219)

>  <Synonyms> (119)
Azulfidine, Salazopyrin, Sulphasalazine, NSC 667219

>  <Target> (119)
Apoptosis related,Autophagy,COX,Ferroptosis,Immunology & Inflammation related,NF-¦ÊB,TGF-beta/Smad

>  <Form> (119)
free base

>  <CAS> (119)
599-79-1

>  <URL> (119)
http://selleckchem.com/products/Sulfasalazine(Azulfidine).html

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/08212509252D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   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
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7786    0.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1786    0.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6854    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
  3  7  1  6  0  0  0
  1  8  1  6  0  0  0
  5  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
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 11 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 12  1  0  0  0  0
 21 22  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (120)
1224

>  <Formula> (120)
C19H22F2N4O3

>  <MolWeight> (120)
392.3997864

>  <Cat> (120)
S1884

>  <Name> (120)
Sparfloxacin

>  <Synonyms> (120)
AT-4140, CI-978, PD 131501,Zagam

>  <Target> (120)
Antibiotics,Bacterial

>  <Form> (120)
free base

>  <CAS> (120)
110871-86-8

>  <URL> (120)
http://selleckchem.com/products/sparfloxacin.html

$$$$
retapamulin.cdx
csChFnd80/08212509252D

 39 43  0  0  0  0  0  0  0  0999 V2000
    1.2536    6.6719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863    7.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161    8.0298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0178    9.4235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    7.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5997    6.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9943    5.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6649    5.4016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185    9.1003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6064   10.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3669    5.6243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2697    4.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6423    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5451    3.7472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1119    6.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3561    5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7397    4.1470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1927    2.8223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4497    2.2060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7744    2.6590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3908    3.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9378    5.2407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6808    5.8570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8680    2.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1580    1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7843    1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6220    0.8916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4597    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5548    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6341    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3771    1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7208    3.5767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7876    4.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6015    6.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2278    7.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1485    8.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1024    6.0148    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
  1  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  1  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  8 12  1  1  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
 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 18 15  1  6  0  0  0
 19 25  1  6  0  0  0
 21 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  1  0  0  0
 21 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 32  1  0  0  0  0
 32 33  2  0  0  0  0
 20 34  1  6  0  0  0
 22 35  1  6  0  0  0
 24 36  1  6  0  0  0
 24 37  1  1  0  0  0
 37 38  2  0  0  0  0
 23 39  1  1  0  0  0
M  END
>  <Mol_ID> (121)
1260

>  <Formula> (121)
C30H47NO4S

>  <MolWeight> (121)
517.76348

>  <Cat> (121)
S4056

>  <Name> (121)
Retapamulin

>  <Synonyms> (121)
SB-275833

>  <Target> (121)
Antibiotics

>  <Form> (121)
free base

>  <CAS> (121)
224452-66-8

>  <URL> (121)
http://selleckchem.com/products/retapamulin.html

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/08212509252D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    5.8901    3.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    5.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216    2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2620    3.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    5.5947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8901    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901    5.5947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2901    6.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (122)
1263

>  <Formula> (122)
C21H23N2NaO6S

>  <MolWeight> (122)
454.47189

>  <Cat> (122)
S4042

>  <Name> (122)
Nafcillin Sodium

>  <Synonyms> (122)
CL 8491

>  <Target> (122)
¦Â-lactamase

>  <Form> (122)
sodium Salt

>  <CAS> (122)
7177-50-6

>  <URL> (122)
http://selleckchem.com/products/nafcillin-sodium.html

$$$$
olsalazine sodium.cdx
csChFnd80/08212509252D

 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
    9.7879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.4854    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9040    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7879    6.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8830    2.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (123)
1265

>  <Formula> (123)
C14H8N2Na2O6

>  <MolWeight> (123)
346.20266

>  <Cat> (123)
S4041

>  <Name> (123)
Olsalazine Sodium

>  <Synonyms> (123)
N/A

>  <Target> (123)
Anti-infection

>  <Form> (123)
Disodium Salt

>  <CAS> (123)
6054-98-4

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

$$$$
Toltrazuril.cdx
csChFnd80/08212509252D

 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
    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
   13.3368    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
 21 27  2  0  0  0  0
 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> (124)
1267

>  <Formula> (124)
C18H14F3N3O4S

>  <MolWeight> (124)
425.3816696

>  <Cat> (124)
S4044

>  <Name> (124)
Toltrazuril

>  <Synonyms> (124)
N/A

>  <Target> (124)
Parasite

>  <Form> (124)
free base

>  <CAS> (124)
69004-03-1

>  <URL> (124)
http://selleckchem.com/products/toltrazuril.html

$$$$
Dicloxacillin sodium.cdx
csChFnd80/08212509252D

 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
    4.9159    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9562    1.9627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070    4.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (125)
1273

>  <Formula> (125)
C19H18Cl2N3NaO6S

>  <MolWeight> (125)
510.32349

>  <Cat> (125)
S4111

>  <Name> (125)
Dicloxacillin Sodium

>  <Synonyms> (125)
Veracillin, BRL1702

>  <Target> (125)
¦Â-lactamase

>  <Form> (125)
Sodium Salt

>  <CAS> (125)
343-55-5

>  <URL> (125)
http://selleckchem.com/products/dicloxacillin-sodium.html

$$$$
Aminosalicylate sodium.cdx
csChFnd80/08212509252D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2103    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6955    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
  2  4  2  0  0  0  0
  3  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  3  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (126)
1275

>  <Formula> (126)
C7H6NNaO3

>  <MolWeight> (126)
175.11721

>  <Cat> (126)
S4073

>  <Name> (126)
Sodium 4-Aminosalicylate

>  <Synonyms> (126)
N/A

>  <Target> (126)
NF-¦ÊB

>  <Form> (126)
Sodium Salt

>  <CAS> (126)
6018-19-5

>  <URL> (126)
http://selleckchem.com/products/aminosalicylate-sodium.html

$$$$
Griseofulvin.cdx
csChFnd80/08212509252D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    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
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1485    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    1.5827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0957    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7957    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4534    5.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    6.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9981    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    2.7951    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
  9  5  1  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
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  1  0  0  0
 12 24  2  0  0  0  0
  8  9  1  1  0  0  0
  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (127)
1281

>  <Formula> (127)
C17H17ClO6

>  <MolWeight> (127)
352.76628

>  <Cat> (127)
S4071

>  <Name> (127)
Griseofulvin

>  <Synonyms> (127)
N/A

>  <Target> (127)
Microtubule Associated

>  <Form> (127)
free base

>  <CAS> (127)
126-07-8

>  <URL> (127)
http://selleckchem.com/products/griseofulvin.html

$$$$
Pirarubicin.cdx
csChFnd80/08212509252D

 47 52  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2662    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5408    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  1  0  0  0
  1  8  1  6  0  0  0
  3  9  1  6  0  0  0
  2 10  1  6  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 28 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 29  1  0  0  0  0
 21 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 21 39  1  1  0  0  0
 17 40  1  6  0  0  0
 26 41  1  0  0  0  0
 23 42  1  0  0  0  0
 30 43  2  0  0  0  0
 27 44  2  0  0  0  0
 31 45  1  0  0  0  0
 45 46  1  0  0  0  0
 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (128)
1285

>  <Formula> (128)
C32H37NO12

>  <MolWeight> (128)
627.63568

>  <Cat> (128)
S1393

>  <Name> (128)
Pirarubicin (NSC-333054)

>  <Synonyms> (128)
NSC-333054,THP

>  <Target> (128)
Antineoplastic and Immunosuppressive Antibiotics,Topoisomerase

>  <Form> (128)
free base

>  <CAS> (128)
72496-41-4

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

$$$$
tinidazole.cdx
csChFnd80/08212509252D

 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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 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> (129)
1289

>  <Formula> (129)
C8H13N3O4S

>  <MolWeight> (129)
247.27152

>  <Cat> (129)
S4068

>  <Name> (129)
Tinidazole

>  <Synonyms> (129)
CP12574

>  <Target> (129)
Parasite

>  <Form> (129)
free base

>  <CAS> (129)
19387-91-8

>  <URL> (129)
http://selleckchem.com/products/tinidazole.html

$$$$
OCUSULF-10 (sulfacetamide sodium).cdx
csChFnd80/08212509252D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.4330    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    3.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.4330    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
  9 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
  8 14  2  0  0  0  0
M  END
>  <Mol_ID> (130)
1290

>  <Formula> (130)
C8H9N2NaO3S

>  <MolWeight> (130)
236.22343

>  <Cat> (130)
S4081

>  <Name> (130)
Sulfacetamide Sodium

>  <Synonyms> (130)
N/A

>  <Target> (130)
Anti-infection,Autophagy

>  <Form> (130)
Sodium Salt

>  <CAS> (130)
127-56-0

>  <URL> (130)
http://selleckchem.com/products/sulfacetamide-sodium.html

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/08212509252D

 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> (131)
1293

>  <Formula> (131)
C10H26Cl2N2O2

>  <MolWeight> (131)
277.23164

>  <Cat> (131)
S4004

>  <Name> (131)
Ethambutol 2HCl

>  <Synonyms> (131)
CL40881

>  <Target> (131)
Bacterial

>  <Form> (131)
Dihydrochloride

>  <CAS> (131)
1070-11-7

>  <URL> (131)
http://selleckchem.com/products/ethambutol-hcl.html

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/08212509252D

 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
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M  END
>  <Mol_ID> (132)
1301

>  <Formula> (132)
C18H28FN3O8S

>  <MolWeight> (132)
465.4936232

>  <Cat> (132)
S4119

>  <Name> (132)
Pefloxacin Mesylate Dihydrate

>  <Synonyms> (132)
1589 RB,Pefloxacinium mesylate dihydrate

>  <Target> (132)
Topoisomerase

>  <Form> (132)
Mesylate

>  <CAS> (132)
149676-40-4

>  <URL> (132)
http://selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

$$$$
Tilmicosin.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (133)
1304

>  <Formula> (133)
C46H80N2O13

>  <MolWeight> (133)
869.133

>  <Cat> (133)
S4122

>  <Name> (133)
Tilmicosin

>  <Synonyms> (133)
EL 870,LY-177370

>  <Target> (133)
Antibiotics

>  <Form> (133)
free base

>  <CAS> (133)
108050-54-0

>  <URL> (133)
http://selleckchem.com/products/tilmicosin.html

$$$$
Ampicillin trihydrate.cdx
csChFnd80/08212509252D

 28 27  0  0  0  0  0  0  0  0999 V2000
    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
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M  END
>  <Mol_ID> (134)
1308

>  <Formula> (134)
C16H25N3O7S

>  <MolWeight> (134)
403.4506

>  <Cat> (134)
S4148

>  <Name> (134)
Ampicillin Trihydrate

>  <Synonyms> (134)
NCI-C56086,D-(-)-¦Á-Aminobenzylpenicillin trihydrate

>  <Target> (134)
Antibiotics,Antibiotics for Mammalian Cell Culture,Bacterial

>  <Form> (134)
free base

>  <CAS> (134)
7177-48-2

>  <URL> (134)
http://selleckchem.com/products/ampicillin-trihydrate.html

$$$$
Azithromycin dihydrate.cdx
csChFnd80/08212509252D

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   13.0718    0.6412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5827    0.4658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3139    1.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.9911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    7.2911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    7.9911    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    9.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.0911    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    9.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9765   10.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0497    8.1181    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
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  9 16  1  6  0  0  0
  6 17  1  1  0  0  0
  7 18  1  6  0  0  0
  3 19  1  6  0  0  0
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 24 26  1  0  0  0  0
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  5 28  1  0  0  0  0
 15 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 27  1  6  0  0  0
 34 36  1  1  0  0  0
 32 37  1  1  0  0  0
 33 38  1  6  0  0  0
 32 39  1  6  0  0  0
 39 40  1  0  0  0  0
 10 41  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
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 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 42  1  0  0  0  0
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 43 50  1  6  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
M  END
>  <Mol_ID> (135)
1309

>  <Formula> (135)
C38H76N2O14

>  <MolWeight> (135)
785.01504

>  <Cat> (135)
S4147

>  <Name> (135)
Azithromycin Dihydrate

>  <Synonyms> (135)
CP-62993 dihydrate

>  <Target> (135)
Anti-infection

>  <Form> (135)
free base

>  <CAS> (135)
117772-70-0

>  <URL> (135)
http://selleckchem.com/products/azithromycin-dihydrate.html

$$$$
Betamipron.cdx
csChFnd80/08212509252D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4333    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556    2.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    2.0902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6622    4.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0804    2.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2896    2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5053    2.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144    2.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5118    4.1731    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
  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
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (136)
1315

>  <Formula> (136)
C10H11NO3

>  <MolWeight> (136)
193.19924

>  <Cat> (136)
S4191

>  <Name> (136)
Betamipron

>  <Synonyms> (136)
CS-443,N-Benzoyl-¦Â-alanine

>  <Target> (136)
Anti-infection

>  <Form> (136)
free base

>  <CAS> (136)
3440-28-6

>  <URL> (136)
http://selleckchem.com/products/betamipron.html

$$$$
Chlorquinaldol.cdx
csChFnd80/08212509252D

 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
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    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> (137)
1319

>  <Formula> (137)
C10H7Cl2NO

>  <MolWeight> (137)
228.07468

>  <Cat> (137)
S4192

>  <Name> (137)
Chlorquinaldol

>  <Synonyms> (137)
Chloquinan

>  <Target> (137)
Anti-infection

>  <Form> (137)
free base

>  <CAS> (137)
72-80-0

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

$$$$
Clofazimine.cdx
csChFnd80/08212509252D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.6445    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    8.4052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    8.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    2.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    2.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    8.4052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   12.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   14.0181    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
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  2  6  2  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
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 13 18  1  0  0  0  0
 14 20  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (138)
1324

>  <Formula> (138)
C27H22Cl2N4

>  <MolWeight> (138)
473.39638

>  <Cat> (138)
S4107

>  <Name> (138)
Clofazimine

>  <Synonyms> (138)
NSC-141046

>  <Target> (138)
Antineoplastic and Immunosuppressive Antibiotics,Dyes,Phospholipase (e.g. PLA)

>  <Form> (138)
free base

>  <CAS> (138)
2030-63-9

>  <URL> (138)
http://selleckchem.com/products/clofazimine.html

$$$$
Mezlocillin sodium.cdx
csChFnd80/08212509252D

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.5580    8.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
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    7.0581    2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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   16.2048    2.7941    0.0000 O   0  5  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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  7 11  2  0  0  0  0
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 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
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 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> (139)
1336

>  <Formula> (139)
C21H24N5NaO8S2

>  <MolWeight> (139)
561.56373

>  <Cat> (139)
S4179

>  <Name> (139)
Mezlocillin Sodium

>  <Synonyms> (139)
N/A

>  <Target> (139)
Antibiotics,Bacterial

>  <Form> (139)
Sodium Salt

>  <CAS> (139)
42057-22-7

>  <URL> (139)
http://selleckchem.com/products/mezlocillin-sodium.html

$$$$
nifuroxazide.cdx
csChFnd80/08212509252D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    1.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.3875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7430    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    4.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3333    2.9075    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  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  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  1  0  0  0  0
 12 14  2  0  0  0  0
 13 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 13  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (140)
1337

>  <Formula> (140)
C12H9N3O5

>  <MolWeight> (140)
275.21696

>  <Cat> (140)
S4182

>  <Name> (140)
Nifuroxazide

>  <Synonyms> (140)
N/A

>  <Target> (140)
STAT

>  <Form> (140)
free base

>  <CAS> (140)
965-52-6

>  <URL> (140)
http://selleckchem.com/products/nifuroxazide.html

$$$$
Sulfaguanidine.cdx
csChFnd80/08212509252D

 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> (141)
1342

>  <Formula> (141)
C7H10N4O2S

>  <MolWeight> (141)
214.2449

>  <Cat> (141)
S4175

>  <Name> (141)
Sulfaguanidine

>  <Synonyms> (141)
N/A

>  <Target> (141)
Anti-infection

>  <Form> (141)
free base

>  <CAS> (141)
57-67-0

>  <URL> (141)
http://selleckchem.com/products/sulfaguanidine.html

$$$$
Aminothiazole.cdx
csChFnd80/08212509252D

  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
    0.0000    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    1.1326    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  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (142)
1349

>  <Formula> (142)
C3H4N2S

>  <MolWeight> (142)
100.14226

>  <Cat> (142)
S4198

>  <Name> (142)
Aminothiazole

>  <Synonyms> (142)
2-Aminothiazole,2-Thiazolylamine

>  <Target> (142)
Bacterial

>  <Form> (142)
free base

>  <CAS> (142)
96-50-4

>  <URL> (142)
http://selleckchem.com/products/aminothiazole.html

$$$$
dirithromycin.cdx
csChFnd80/08212509252D

 60 63  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6826    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8951    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1075    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3200    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5324    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   16.9573    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1697    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1697    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7702    0.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0453    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1075    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0200    6.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   10.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6830    9.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3354   10.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3779    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  4  8  1  1  0  0  0
  6  9  1  1  0  0  0
  3 10  1  6  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 20 21  1  0  0  0  0
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 23 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 13  8  1  6  0  0  0
 14 33  1  0  0  0  0
 14 34  1  6  0  0  0
 17 35  1  1  0  0  0
 16 36  1  1  0  0  0
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 39 40  1  0  0  0  0
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 43 38  1  0  0  0  0
 18 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 23  1  0  0  0  0
 45 46  1  6  0  0  0
 46 47  1  0  0  0  0
 23 48  1  1  0  0  0
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 27 50  1  0  0  0  0
 50 21  1  0  0  0  0
 50 51  1  6  0  0  0
 20 52  1  6  0  0  0
 25 28  1  6  0  0  0
 21 53  1  6  0  0  0
 40 54  1  6  0  0  0
 41 55  1  1  0  0  0
 42 56  1  1  0  0  0
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 56 58  1  0  0  0  0
 38 36  1  1  0  0  0
 27 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END
>  <Mol_ID> (143)
1356

>  <Formula> (143)
C42H78N2O14

>  <MolWeight> (143)
835.07372

>  <Cat> (143)
S4213

>  <Name> (143)
Dirithromycin

>  <Synonyms> (143)
LY-237216, ASE 136,Dynabac

>  <Target> (143)
Antibiotics,Bacterial

>  <Form> (143)
free base

>  <CAS> (143)
62013-04-1

>  <URL> (143)
http://selleckchem.com/products/dirithromycin.html

$$$$
Florfenicol.cdx
csChFnd80/08212509252D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5049    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
    3.6415    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
    1.2124    4.2049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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
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 11 12  1  0  0  0  0
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  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> (144)
1360

>  <Formula> (144)
C12H14Cl2FNO4S

>  <MolWeight> (144)
358.2132632

>  <Cat> (144)
S4201

>  <Name> (144)
Florfenicol

>  <Synonyms> (144)
SCH-25298,(-)-Florfenicol

>  <Target> (144)
Bacterial

>  <Form> (144)
free base

>  <CAS> (144)
73231-34-2

>  <URL> (144)
http://selleckchem.com/products/florfenicol.html

$$$$
Valnemulin HCl.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (145)
1367

>  <Formula> (145)
C31H53ClN2O5S

>  <MolWeight> (145)
601.28092

>  <Cat> (145)
S4216

>  <Name> (145)
Valnemulin HCl

>  <Synonyms> (145)
N/A

>  <Target> (145)
Bacterial

>  <Form> (145)
Hydrochloride

>  <CAS> (145)
133868-46-9

>  <URL> (145)
http://selleckchem.com/products/valnemulin-hcl.html

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/08212509252D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
1392

>  <Formula> (146)
C16H17N2NaO4S

>  <MolWeight> (146)
356.37195

>  <Cat> (146)
S4160

>  <Name> (146)
Penicillin G Sodium

>  <Synonyms> (146)
Benzylpenicillin Sodium

>  <Target> (146)
Antibiotics,Antibiotics for Mammalian Cell Culture,Antibiotics for Plant Cell Culture

>  <Form> (146)
Sodium Salt

>  <CAS> (146)
69-57-8

>  <URL> (146)
http://selleckchem.com/products/benzylpenicillin-sodium.html

$$$$
S4971 Buparvaquone.cdx
csChFnd80/08212509252D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (147)
1394

>  <Formula> (147)
C21H26O3

>  <MolWeight> (147)
326.42934

>  <Cat> (147)
S4971

>  <Name> (147)
Buparvaquone

>  <Synonyms> (147)
Butalex

>  <Target> (147)
Anti-infection

>  <Form> (147)
free base

>  <CAS> (147)
88426-33-9

>  <URL> (147)
http://selleckchem.com/products/buparvaquone.html

$$$$
fidaxomicin.cdx
csChFnd80/08212509252D

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   14.5282    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7406    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    1.3976    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
  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
  9 10  1  0  0  0  0
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  8 11  2  0  0  0  0
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 14  9  2  0  0  0  0
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 18 25  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
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 31 35  1  0  0  0  0
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 29 38  1  6  0  0  0
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 50 51  1  0  0  0  0
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 54 56  1  6  0  0  0
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 53 60  1  1  0  0  0
 50 21  1  6  0  0  0
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 65 66  2  0  0  0  0
 66 67  1  0  0  0  0
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 64 69  1  0  0  0  0
 69 70  1  0  0  0  0
 68 71  1  0  0  0  0
 67 72  1  0  0  0  0
 66 73  1  0  0  0  0
 65 74  1  0  0  0  0
M  CFW   8 B_NG_STER 2
M  CFW  12 B_NG_STER 2
M  END
>  <Mol_ID> (148)
1400

>  <Formula> (148)
C52H74Cl2O18

>  <MolWeight> (148)
1058.03916

>  <Cat> (148)
S4227

>  <Name> (148)
Fidaxomicin

>  <Synonyms> (148)
OPT-80, PAR-101,Dificid

>  <Target> (148)
DNA/RNA Synthesis

>  <Form> (148)
free base

>  <CAS> (148)
873857-62-6

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

$$$$
mevastatin.cdx
csChFnd80/08212509252D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.7009    8.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    7.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    9.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    6.3003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2739    8.4028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9073    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    7.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    2.1023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8539    2.8008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6405    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    4.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    2.8008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2739    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    2.1023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6405    6.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    4.1978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6405    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    3.4993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  6  1  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  6  0  0  0
  7  4  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  1  0  0  0
 18  8  1  0  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 15 10  1  0  0  0  0
 10 29  1  1  0  0  0
 11 14  1  6  0  0  0
 23 11  1  0  0  0  0
 12 14  1  0  0  0  0
 20 12  2  0  0  0  0
 22 12  1  0  0  0  0
 16 13  1  0  0  0  0
 21 13  2  0  0  0  0
 15 18  1  1  0  0  0
 19 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 19 25  1  1  0  0  0
 24 21  1  0  0  0  0
 26 22  1  0  0  0  0
 22 27  1  1  0  0  0
 23 24  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (149)
1404

>  <Formula> (149)
C23H34O5

>  <MolWeight> (149)
390.51306

>  <Cat> (149)
S4223

>  <Name> (149)
Mevastatin

>  <Synonyms> (149)
ML-236B,Compactin

>  <Target> (149)
HMG-CoA Reductase

>  <Form> (149)
free base

>  <CAS> (149)
73573-88-3

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

$$$$
Nithiamide.cdx
csChFnd80/08212509252D

 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
    4.2727    3.9852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.6074    3.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.0487    2.0113    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (150)
1406

>  <Formula> (150)
C5H5N3O3S

>  <MolWeight> (150)
187.1765

>  <Cat> (150)
S4232

>  <Name> (150)
Nithiamide

>  <Synonyms> (150)
CL 5279

>  <Target> (150)
Anti-infection

>  <Form> (150)
free base

>  <CAS> (150)
140-40-9

>  <URL> (150)
http://selleckchem.com/products/nithiamide.html

$$$$
Piperacillin Sodium.cdx
csChFnd80/08212509252D

 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
    8.8937    0.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3081    0.6754    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6217    5.2795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8289    3.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    6.6922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    5.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    7.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    8.7727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0746    7.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168   10.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919    8.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   11.5661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919   11.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289   12.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   13.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5122    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
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  1  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  6  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  2  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  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (151)
1411

>  <Formula> (151)
C23H26N5NaO7S

>  <MolWeight> (151)
539.53661

>  <Cat> (151)
S4222

>  <Name> (151)
Piperacillin Sodium

>  <Synonyms> (151)
CL227193,Pipracil

>  <Target> (151)
Antibiotics

>  <Form> (151)
Sodium Salt

>  <CAS> (151)
59703-84-3

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/08212509252D

 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
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M  END
>  <Mol_ID> (152)
1418

>  <Formula> (152)
C11H12N4O3S

>  <MolWeight> (152)
280.30298

>  <Cat> (152)
S4250

>  <Name> (152)
Sulfamethoxypyridazine

>  <Synonyms> (152)
CL 13494

>  <Target> (152)
Anti-infection

>  <Form> (152)
free base

>  <CAS> (152)
80-35-3

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

$$$$
Phenothiazine.cdx
csChFnd80/08212509252D

 14 16  0  0  0  0  0  0  0  0999 V2000
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    4.8448    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2773    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (153)
1419

>  <Formula> (153)
C12H9NS

>  <MolWeight> (153)
199.27156

>  <Cat> (153)
S4251

>  <Name> (153)
Phenothiazine

>  <Synonyms> (153)
ENT 38

>  <Target> (153)
Dopamine Receptor

>  <Form> (153)
free base

>  <CAS> (153)
92-84-2

>  <URL> (153)
http://selleckchem.com/products/phenothiazine.html

$$$$
Rifabutin.cdx
csChFnd80/08212509252D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
1441

>  <Formula> (154)
C46H62N4O11

>  <MolWeight> (154)
847.00468

>  <Cat> (154)
S1741

>  <Name> (154)
Rifabutin (LM427)

>  <Synonyms> (154)
LM427, Ansamycin

>  <Target> (154)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Bacterial

>  <Form> (154)
free base

>  <CAS> (154)
72559-06-9

>  <URL> (154)
http://selleckchem.com/products/Rifabutin(Mycobutin).html

$$$$
Rifampin.cdx
csChFnd80/08212509252D

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  8 59  1  0  0  0  0
 51 53  1  0  0  0  0
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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (155)
1442

>  <Formula> (155)
C43H58N4O12

>  <MolWeight> (155)
822.94022

>  <Cat> (155)
S1764

>  <Name> (155)
Rifampin (NSC-113926)

>  <Synonyms> (155)
Rimactane, Rifampicin,NSC-113926

>  <Target> (155)
Antibiotics for Plant Cell Culture,Antineoplastic and Immunosuppressive Antibiotics,DNA/RNA Synthesis,Selection Antibiotics for Transfected Cell

>  <Form> (155)
free base

>  <CAS> (155)
13292-46-1

>  <URL> (155)
http://selleckchem.com/products/Rifampin(Rifadin).html

$$$$
Rifapentine.cdx
csChFnd80/08212509252D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (156)
1443

>  <Formula> (156)
C47H64N4O12

>  <MolWeight> (156)
877.03066

>  <Cat> (156)
S1760

>  <Name> (156)
Rifapentine

>  <Synonyms> (156)
MDL473

>  <Target> (156)
DNA/RNA Synthesis

>  <Form> (156)
free base

>  <CAS> (156)
61379-65-5

>  <URL> (156)
http://selleckchem.com/products/Rifapentine(Priftin).html

$$$$
Terbinafine.cdx
csChFnd80/08212509252D

 22 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
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M  END
>  <Mol_ID> (157)
1446

>  <Formula> (157)
C21H25N

>  <MolWeight> (157)
291.4299

>  <Cat> (157)
S1725

>  <Name> (157)
Terbinafine

>  <Synonyms> (157)
SF 86-327,TDT 067

>  <Target> (157)
Fungal

>  <Form> (157)
Free Base

>  <CAS> (157)
91161-71-6

>  <URL> (157)
http://selleckchem.com/products/Terbinafine(Lamisil).html

$$$$
Luliconazole.cdx
csChFnd80/08212509252D

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 18 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1456

>  <Formula> (158)
C14H9Cl2N3S2

>  <MolWeight> (158)
354.27736

>  <Cat> (158)
S4258

>  <Name> (158)
Luliconazole

>  <Synonyms> (158)
NND 502

>  <Target> (158)
Fungal

>  <Form> (158)
free base

>  <CAS> (158)
187164-19-8

>  <URL> (158)
http://selleckchem.com/products/luliconazole.html

$$$$
Doxycycline hyclate.cdx
csChFnd80/08212509252D

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   15.7593   10.3469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 46 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 47  1  0  0  0  0
 51 53  1  0  0  0  0
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 53 55  1  0  0  0  0
 50 56  1  0  0  0  0
 52 57  2  0  0  0  0
 44 58  2  0  0  0  0
 48 59  1  0  0  0  0
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 41 61  1  1  0  0  0
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 46 67  1  1  0  0  0
 47 68  1  1  0  0  0
 71 72  1  0  0  0  0
 72 73  1  0  0  0  0
M  END
>  <Mol_ID> (159)
1462

>  <Formula> (159)
C46H58Cl2N4O18

>  <MolWeight> (159)
1025.87472

>  <Cat> (159)
S4163

>  <Name> (159)
Doxycycline Hyclate (WC2031)

>  <Synonyms> (159)
Doxycycline hydrochloride hemiethanolate hemihydrate

>  <Target> (159)
Antineoplastic and Immunosuppressive Antibiotics,MMP

>  <Form> (159)
hyclate

>  <CAS> (159)
24390-14-5

>  <URL> (159)
http://selleckchem.com/products/doxycycline-hyclate.html

$$$$
Vincristine Sulfate.cdx
csChFnd80/08212509252D

 68 75  0  0  0  0  0  0  0  0999 V2000
    5.3471    4.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371    3.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0618    6.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9995    3.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4498    5.1217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.2024    5.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1030    9.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2529    7.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1906   10.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 31 33  1  0  0  0  0
 12 34  1  6  0  0  0
 16 35  1  6  0  0  0
 35 36  1  0  0  0  0
  6 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 39 40  1  0  0  0  0
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 45 46  1  0  0  0  0
 46 38  1  0  0  0  0
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 47 48  2  0  0  0  0
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 49 50  2  0  0  0  0
 50 45  1  0  0  0  0
 43 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 37 54  1  0  0  0  0
 54 55  1  0  0  0  0
 53 56  1  0  0  0  0
 56 55  1  0  0  0  0
 53 57  1  0  0  0  0
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 59 60  1  1  0  0  0
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 61 62  1  0  0  0  0
 55 63  1  6  0  0  0
 64 65  2  0  0  0  0
 64 66  2  0  0  0  0
 64 67  1  0  0  0  0
 64 68  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1468

>  <Formula> (160)
C46H58N4O14S

>  <MolWeight> (160)
923.03612

>  <Cat> (160)
S1241

>  <Name> (160)
Vincristine (NSC-67574) sulfate

>  <Synonyms> (160)
Leurocristine, Oncovin, NSC-67574, 22-Oxovincaleukoblastine

>  <Target> (160)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (160)
free base

>  <CAS> (160)
2068-78-2

>  <URL> (160)
http://selleckchem.com/products/Vincristine-Sulfate.html

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/08212509252D

 35 37  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    7.2746    4.9000    0.0000 H   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
    4.8497    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5253    3.1294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 13  1  0  0  0  0
 10 19  1  1  0  0  0
  6 20  1  0  0  0  0
  3 21  1  0  0  0  0
  7 22  2  0  0  0  0
 11 23  1  0  0  0  0
 15 24  2  0  0  0  0
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 26 27  1  0  0  0  0
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 12 30  1  6  0  0  0
  9 31  1  6  0  0  0
 16 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (161)
1476

>  <Formula> (161)
C21H22Cl2N2O8

>  <MolWeight> (161)
501.31398

>  <Cat> (161)
S4279

>  <Name> (161)
Demeclocycline HCl

>  <Synonyms> (161)
Demeclocycline hydrochloride

>  <Target> (161)
Antibiotics,Bacterial

>  <Form> (161)
Hydrochloride

>  <CAS> (161)
64-73-3

>  <URL> (161)
http://selleckchem.com/products/demeclocycline-hci.html

$$$$
Anidulafungin.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (162)
1478

>  <Formula> (162)
C58H73N7O17

>  <MolWeight> (162)
1140.23692

>  <Cat> (162)
S4286

>  <Name> (162)
Anidulafungin (LY303366)

>  <Synonyms> (162)
LY303366

>  <Target> (162)
Fungal

>  <Form> (162)
free base

>  <CAS> (162)
166663-25-8

>  <URL> (162)
http://selleckchem.com/products/anidulafungin-ly303366.html

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/08212509252D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
1489

>  <Formula> (163)
C17H17ClF6N2O

>  <MolWeight> (163)
414.7730992

>  <Cat> (163)
S4420

>  <Name> (163)
Mefloquine HCl

>  <Synonyms> (163)
Mefloquin hydrochloride

>  <Target> (163)
Anti-infection

>  <Form> (163)
Hydrochloride

>  <CAS> (163)
51773-92-3

>  <URL> (163)
http://selleckchem.com/products/mefloquine-hcl.html

$$$$
Daptomycin.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (164)
1493

>  <Formula> (164)
C72H101N17O26

>  <MolWeight> (164)
1620.67064

>  <Cat> (164)
S1373

>  <Name> (164)
Daptomycin (LY146032)

>  <Synonyms> (164)
Cubicin,LY146032

>  <Target> (164)
Antibiotics,Antibiotics for Mammalian Cell Culture,Bacterial,DNA/RNA Synthesis

>  <Form> (164)
free base

>  <CAS> (164)
103060-53-3

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

$$$$
Doripenem Hydrate.cdx
csChFnd80/08212509252D

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   13.5352    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2425    2.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5159    6.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5791    7.9502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8853    7.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5159    1.9737    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
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
  3 13  1  6  0  0  0
  4 14  1  1  0  0  0
  7 15  1  0  0  0  0
 16 15  1  1  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 16  1  0  0  0  0
 19 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
  8 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  6 30  1  6  0  0  0
M  END
>  <Mol_ID> (165)
1494

>  <Formula> (165)
C15H26N4O7S2

>  <MolWeight> (165)
438.51954

>  <Cat> (165)
S1374

>  <Name> (165)
Doripenem Hydrate

>  <Synonyms> (165)
S-4661

>  <Target> (165)
Antibiotics

>  <Form> (165)
Hydrate

>  <CAS> (165)
364622-82-2

>  <URL> (165)
http://selleckchem.com/products/Doripenem-Hydrate.html

$$$$
Mupirocin .cdx
csChFnd80/08212509252D

 37 38  0  0  0  0  0  0  0  0999 V2000
    7.3070    3.7256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4543    2.3288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7382    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8805    2.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    3.9813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4430    4.5516    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2975    5.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0307    4.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8571    4.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1366    4.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2679    5.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2850    2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5471    4.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6824    5.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6986    3.1040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9578    4.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0892    5.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3684    5.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4998    5.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7790    5.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9105    6.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1897    5.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3211    6.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6003    5.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7359    6.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7521    4.3919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3232    1.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0432    2.0719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3758    3.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    2.1020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4543    0.9242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    3.4383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    1.3997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2122    2.0995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    3.4992    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
  1  8  1  1  0  0  0
  5  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  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
 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
  2 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 28  1  0  0  0  0
  2 31  1  1  0  0  0
 30 32  1  1  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  1  0  0  0
 34 37  1  6  0  0  0
M  END
>  <Mol_ID> (166)
1501

>  <Formula> (166)
C26H44O9

>  <MolWeight> (166)
500.62216

>  <Cat> (166)
S4297

>  <Name> (166)
Mupirocin

>  <Synonyms> (166)
BRL-4910A,Pseudomonic acid

>  <Target> (166)
DNA/RNA Synthesis

>  <Form> (166)
free base

>  <CAS> (166)
12650-69-0

>  <URL> (166)
http://selleckchem.com/products/mupirocin.html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/08212509252D

 41 42  0  0  0  0  0  0  0  0999 V2000
    6.0368    8.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0302    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3872    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574   10.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4004    9.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4453    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307    7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4353    7.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3737    6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    4.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3605    4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7241    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    8.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    9.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    8.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    9.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   10.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4654   10.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224   11.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1861   12.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927   13.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8356   13.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720   11.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9402    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 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 10  1  0  0  0  0
  1 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
 20 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
 32 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (167)
1526

>  <Formula> (167)
C32H37NO8

>  <MolWeight> (167)
563.63808

>  <Cat> (167)
S1238

>  <Name> (167)
Tamoxifen (ICI 46474)

>  <Synonyms> (167)
ICI 46474, (Z)-Tamoxifen, trans-Tamoxifen

>  <Target> (167)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,ATPase,Autophagy,Estrogen/progestogen Receptor,HSP (HSP90)

>  <Form> (167)
Free Base

>  <CAS> (167)
10540-29-1

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

$$$$
Vinblastine sulfate.cdx
csChFnd80/08212509252D

 67 74  0  0  0  0  0  0  0  0999 V2000
   10.3017    8.1853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5141    8.8853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2230   10.2547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8307   10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2613    9.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8456    8.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8860    9.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5949   10.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2634   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    9.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6615   11.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3745   10.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    6.7853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5141    6.0853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7266    6.7853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7165    5.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0587    5.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0688    6.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4311    7.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5041    5.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5141    4.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3059    3.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7223    3.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7223    2.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    8.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    6.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6017    5.5729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    5.3853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    4.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    8.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    8.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    6.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    6.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    6.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    4.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    9.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   10.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   11.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   13.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521   13.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832   14.8778    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
    7.3479   15.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744   10.8014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6720   12.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671   12.0096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0570   12.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6237   14.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6337   13.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671   10.6096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1957   14.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    5.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3623    5.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (168)
1527

>  <Formula> (168)
C46H60N4O13S

>  <MolWeight> (168)
909.0526

>  <Cat> (168)
S4505

>  <Name> (168)
Vinblastine (NSC-49842) sulfate

>  <Synonyms> (168)
Vincaleukoblastine sulfate salt, 29060-LE, Exal, Velban, Velbe

>  <Target> (168)
AChR,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (168)
sulfate

>  <CAS> (168)
143-67-9

>  <URL> (168)
http://selleckchem.com/products/vinblastine-sulfate.html

$$$$
Cefotaxime sodium.cdx
csChFnd80/08212509252D

 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
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   13.3948    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6297    4.9082    0.0000 O   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
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    3.0762    5.5460    0.0000 C   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
    7.0791   10.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3834    6.9851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2159    1.2189    0.0000 Na  0  3  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
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  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
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  7 11  1  0  0  0  0
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 10 15  1  0  0  0  0
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 20 25  2  0  0  0  0
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 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> (169)
1532

>  <Formula> (169)
C16H16N5NaO7S2

>  <MolWeight> (169)
477.44731

>  <Cat> (169)
S4517

>  <Name> (169)
Cefotaxime sodium

>  <Synonyms> (169)
HR-756

>  <Target> (169)
Antibiotics,Antibiotics for Plant Cell Culture,Bacterial

>  <Form> (169)
Sodium Salt

>  <CAS> (169)
64485-93-4

>  <URL> (169)
http://selleckchem.com/products/cefotaxime-sodium.html

$$$$
Pentamidine isethionate.cdx
csChFnd80/08212509252D

 39 38  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    6.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    9.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    9.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    9.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    9.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    9.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    9.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    9.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    9.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    9.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    7.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7785    6.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9952    7.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9952    9.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2076    5.5344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4201    7.6344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    0.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2728    1.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853    0.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9830    0.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1996    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4121    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6245    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    1.9149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9245    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3245    0.0000    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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  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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  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
 29 31  2  0  0  0  0
 29 32  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  2  0  0  0  0
M  END
>  <Mol_ID> (170)
1539

>  <Formula> (170)
C23H36N4O10S2

>  <MolWeight> (170)
592.68274

>  <Cat> (170)
S4007

>  <Name> (170)
Pentamidine isethionate

>  <Synonyms> (170)
N/A

>  <Target> (170)
phosphatase

>  <Form> (170)
isethionate

>  <CAS> (170)
140-64-7

>  <URL> (170)
http://selleckchem.com/products/pentamidine-isethionate.html

$$$$
Furazolidone.cdx
csChFnd80/08212509252D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.9282    2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1745    2.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1742    4.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.0528    1.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4536    4.0081    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0317    0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    2.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567    0.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9756    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  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (171)
1543

>  <Formula> (171)
C8H7N3O5

>  <MolWeight> (171)
225.15828

>  <Cat> (171)
S4528

>  <Name> (171)
Furazolidone

>  <Synonyms> (171)
Furoxone

>  <Target> (171)
Bacterial

>  <Form> (171)
free base

>  <CAS> (171)
67-45-8

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

$$$$
Nitrofurantoin.cdx
csChFnd80/08212509252D

 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
    2.3338    2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    3.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    1.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.5738    6.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (172)
1547

>  <Formula> (172)
C8H6N4O5

>  <MolWeight> (172)
238.15704

>  <Cat> (172)
S4536

>  <Name> (172)
Nitrofurantoin

>  <Synonyms> (172)
Macrodantin, Furadantine, Furadonine

>  <Target> (172)
Antibiotics,Bacterial

>  <Form> (172)
free base

>  <CAS> (172)
67-20-9

>  <URL> (172)
http://selleckchem.com/products/nitrofurantoin.html

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/08212509252D

 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> (173)
1566

>  <Formula> (173)
C9H5I2NO

>  <MolWeight> (173)
396.95104

>  <Cat> (173)
S4565

>  <Name> (173)
Diiodohydroxyquinoline

>  <Synonyms> (173)
Iodoquinol

>  <Target> (173)
Bacterial

>  <Form> (173)
free base

>  <CAS> (173)
83-73-8

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

$$$$
S4594 Cephalothin.cdx
csChFnd80/08212509252D

 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
    8.3545    4.2919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5792    2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9247    2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378    4.2835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5671    4.9696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7366    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9347    1.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    5.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7416    4.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9490    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3709    0.0846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7958    0.0797    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5956    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1623    2.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6057    5.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2333    3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3743    2.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2534    5.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    1.1657    6.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623    4.2290    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3659    4.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
 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> (174)
1572

>  <Formula> (174)
C16H15N2NaO6S2

>  <MolWeight> (174)
418.41987

>  <Cat> (174)
S4594

>  <Name> (174)
Cephalothin sodium

>  <Synonyms> (174)
Cefalotin sodium, Sodium cephalotin

>  <Target> (174)
Antibiotics,Antibiotics for Mammalian Cell Culture,Bacterial

>  <Form> (174)
sodium

>  <CAS> (174)
58-71-9

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

$$$$
S4596 Cefixime.cdx
csChFnd80/08212509252D

 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
    7.2788    5.2086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0985    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3017    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0775    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6526    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268    4.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5116    2.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    5.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5645    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    5.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2992    7.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777    6.3736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    7.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130    5.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    4.2492    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138    8.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661    9.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3561    8.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7285   10.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3168    5.5657    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 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  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (175)
1578

>  <Formula> (175)
C16H15N5O7S2

>  <MolWeight> (175)
453.4496

>  <Cat> (175)
S4596

>  <Name> (175)
Cefixime

>  <Synonyms> (175)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (175)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Bacterial

>  <Form> (175)
free base

>  <CAS> (175)
79350-37-1

>  <URL> (175)
http://selleckchem.com/products/cefixime.html

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/08212509252D

 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
    9.6462    2.0326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4506    4.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0414    3.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0451    2.0362    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4579    1.3356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2170    3.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4469    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0372    4.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0460    1.0574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2207    2.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0363    4.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2097    6.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6351    6.2405    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3643    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    3.4357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3760    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7044    2.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6109    4.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7169    0.8640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3319    3.5420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774    5.5135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2103    2.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8284    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986    4.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0949    5.8032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5878    2.1305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9976    0.7902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9585    6.2429    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  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
 19 21  1  0  0  0  0
 19 22  2  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 29  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (176)
1579

>  <Formula> (176)
C14H13N8NaO4S3

>  <MolWeight> (176)
476.48899

>  <Cat> (176)
S4595

>  <Name> (176)
Cefazolin Sodium

>  <Synonyms> (176)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (176)
Antibiotics,Bacterial

>  <Form> (176)
sodium

>  <CAS> (176)
27164-46-1

>  <URL> (176)
http://selleckchem.com/products/cefazolin-sodium.html

$$$$
S4591 Nitroxoline.cdx
csChFnd80/08212509252D

 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
    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 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> (177)
1580

>  <Formula> (177)
C9H6N2O3

>  <MolWeight> (177)
190.15554

>  <Cat> (177)
S4591

>  <Name> (177)
Nitroxoline

>  <Synonyms> (177)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol, 5-Nitro-8-hydroxyquinoline

>  <Target> (177)
Cathepsin B,Cysteine Protease

>  <Form> (177)
free base

>  <CAS> (177)
4008-48-4

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

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/08212509252D

 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
    8.3711    8.5190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911    6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    9.7314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5746    7.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.4996    4.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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  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> (178)
1582

>  <Formula> (178)
C13H13N3O5S2

>  <MolWeight> (178)
355.38942

>  <Cat> (178)
S4585

>  <Name> (178)
Succinylsulfathiazole

>  <Synonyms> (178)
Succinylsulphathiazole

>  <Target> (178)
Antibiotics

>  <Form> (178)
free base

>  <CAS> (178)
116-43-8

>  <URL> (178)
http://selleckchem.com/products/succinylsulfathiazole.html

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/08212509252D

 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
    8.4829    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    1.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    4.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  9 11  1  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
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (179)
1585

>  <Formula> (179)
C13H12N2O3S

>  <MolWeight> (179)
276.31098

>  <Cat> (179)
S4576

>  <Name> (179)
Sulfabenzamide

>  <Synonyms> (179)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (179)
Bacterial

>  <Form> (179)
free base

>  <CAS> (179)
127-71-9

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

$$$$
Cefuroxime sodium.cdx
csChFnd80/08212509252D

 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
   12.0088    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.9318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491    2.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3611    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8648    4.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    2.4216    6.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    6.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    8.1445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    8.8879    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6472    3.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  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
  7  8  1  0  0  0  0
  7 13  1  1  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  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  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  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
 25 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
  6 31  1  6  0  0  0
M  END
>  <Mol_ID> (180)
1586

>  <Formula> (180)
C16H15N4NaO8S

>  <MolWeight> (180)
446.36707

>  <Cat> (180)
S4620

>  <Name> (180)
Cefuroxime sodium

>  <Synonyms> (180)
N/A

>  <Target> (180)
¦Â-lactamase

>  <Form> (180)
sodium

>  <CAS> (180)
56238-63-2

>  <URL> (180)
http://selleckchem.com/products/cefuroxime-sodium.html

$$$$
S4612 Dapson.cdx
csChFnd80/08212509252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.5931    1.4001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1930    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935    0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6867    2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949    0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0772    2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0945    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7861    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1861    1.4836    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
  1  5  2  0  0  0  0
  2  6  2  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
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (181)
1597

>  <Formula> (181)
C12H12N2O2S

>  <MolWeight> (181)
248.30088

>  <Cat> (181)
S4612

>  <Name> (181)
Dapson

>  <Synonyms> (181)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis(4-aminophenyl) sulfone, DDS

>  <Target> (181)
Antibiotics

>  <Form> (181)
free base

>  <CAS> (181)
80-08-0

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

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/08212509252D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.1805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.3929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    9.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.3307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  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
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 22 25  1  0  0  0  0
  5 25  1  0  0  0  0
 10 25  2  0  0  0  0
  2 26  1  0  0  0  0
A   27
0.5H2O
M  END
>  <Mol_ID> (182)
1599

>  <Formula> (182)
C18H20FN3O4R

>  <MolWeight> (182)
361.3675032

>  <Cat> (182)
S4604

>  <Name> (182)
Levofloxacin hydrate

>  <Synonyms> (182)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, Cravit hydrate

>  <Target> (182)
Topoisomerase

>  <Form> (182)
hydrate

>  <CAS> (182)
138199-71-0

>  <URL> (182)
http://selleckchem.com/products/levofloxacin-hydrate.html

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/08212509252D

 69 74  0  0  0  0  0  0  0  0999 V2000
   10.1848   15.2973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1848   13.8973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3973   13.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6097   13.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (183)
1606

>  <Formula> (183)
C32H35ClN18O10S6

>  <MolWeight> (183)
1059.5779

>  <Cat> (183)
S4647

>  <Name> (183)
Cefmenoxime hydrochloride

>  <Synonyms> (183)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

>  <Target> (183)
Antibiotics,Bacterial

>  <Form> (183)
hydrochloride

>  <CAS> (183)
75738-58-8

>  <URL> (183)
http://selleckchem.com/products/cefmenoxime-hydrochloride.html

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/08212509252D

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.2414    3.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3740    1.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (184)
1612

>  <Formula> (184)
C17H16FN6O6P

>  <MolWeight> (184)
450.3177042

>  <Cat> (184)
S4641

>  <Name> (184)
Tedizolid Phosphate

>  <Synonyms> (184)
TR-701FA

>  <Target> (184)
Antibiotics

>  <Form> (184)
free base

>  <CAS> (184)
856867-55-5

>  <URL> (184)
http://selleckchem.com/products/tedizolid-phosphate.html

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/08212509252D

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 10 13  2  0  0  0  0
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M  END
>  <Mol_ID> (185)
1613

>  <Formula> (185)
C10H9N4NaO2S

>  <MolWeight> (185)
272.25883

>  <Cat> (185)
S4634

>  <Name> (185)
Sodium sulfadiazine

>  <Synonyms> (185)
Sulfadiazin-natrium

>  <Target> (185)
Bacterial

>  <Form> (185)
Sodium salt

>  <CAS> (185)
547-32-0

>  <URL> (185)
http://selleckchem.com/products/sodium-sulfadiazine.html

$$$$
Triclosan.cdx
csChFnd80/08212509252D

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    9.6914    4.2068    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    3.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2068    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
  3  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  2  0  0  0  0
  6 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 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
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (186)
1615

>  <Formula> (186)
C12H7Cl3O2

>  <MolWeight> (186)
289.54178

>  <Cat> (186)
S4541

>  <Name> (186)
Triclosan

>  <Synonyms> (186)
Irgasan, Cloxifenolum

>  <Target> (186)
Bacterial

>  <Form> (186)
free base

>  <CAS> (186)
3380-34-5

>  <URL> (186)
http://selleckchem.com/products/triclosan.html

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/08212509252D

 41 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
    7.3766    4.2312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1524    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.9344    5.6124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9344    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    6.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857    4.9468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6977    2.0907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    6.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1594    7.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    4.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    1.4063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2681    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2552    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    7.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8776    4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    2.1093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    9.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9609    8.9520    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.4571    6.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9134    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1853    5.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7720   10.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989   12.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487   12.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822   13.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    2.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5082    7.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    0.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1749    8.9429    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  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 38  1  1  0  0  0
  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> (187)
1637

>  <Formula> (187)
C31H47NaO6

>  <MolWeight> (187)
538.69105

>  <Cat> (187)
S4663

>  <Name> (187)
Fusidate Sodium

>  <Synonyms> (187)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (187)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Bacterial

>  <Form> (187)
sodium salt

>  <CAS> (187)
751-94-0

>  <URL> (187)
http://selleckchem.com/products/fusidate-sodium.html

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/08212509252D

 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
    4.8497    1.4000    0.0000 N   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    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> (188)
1638

>  <Formula> (188)
C9H5ClINO

>  <MolWeight> (188)
305.49957

>  <Cat> (188)
S4601

>  <Name> (188)
Clioquinol

>  <Synonyms> (188)
Iodochlorhydroxyquin, Chinoform

>  <Target> (188)
Fungal

>  <Form> (188)
free base

>  <CAS> (188)
130-26-7

>  <URL> (188)
http://selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

$$$$
Tazobactam.cdx
csChFnd80/08212509252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.3900    3.1116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214    3.5442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5443    2.4116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7214    1.2790    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    1.7116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9900    1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    3.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5235    5.1668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173    5.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    0.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5847    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9162    2.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0488    3.7386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1815    2.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7488    1.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3488    1.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5847    1.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709    0.3288    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
  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
  4 11  2  0  0  0  0
  4 12  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
 14 18  1  0  0  0  0
 13 14  1  0  0  0  0
  3 13  1  6  0  0  0
  7 19  2  0  0  0  0
  3 20  1  1  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (189)
1649

>  <Formula> (189)
C10H12N4O5S

>  <MolWeight> (189)
300.29108

>  <Cat> (189)
S3077

>  <Name> (189)
Tazobactam

>  <Synonyms> (189)
Tazobactam acid, Tazobactamum

>  <Target> (189)
Selection Antibiotics for Transfected Cell,¦Â-lactamase

>  <Form> (189)
free base

>  <CAS> (189)
89786-04-9

>  <URL> (189)
http://selleckchem.com/products/tazobactam.html

$$$$
S4750 Sulfacetamide sodium salt hydrate.cdx
csChFnd80/08212509252D

 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> (190)
1686

>  <Formula> (190)
C8H11N2NaO4S

>  <MolWeight> (190)
254.23871

>  <Cat> (190)
S4750

>  <Name> (190)
Sulfacetamide sodium salt hydrate

>  <Synonyms> (190)
N/A

>  <Target> (190)
Antibiotics,Autophagy,Bacterial

>  <Form> (190)
sodium salt hyd

>  <CAS> (190)
6209-17-2

>  <URL> (190)
http://selleckchem.com/products/sulfacetamide-sodium-salt-hydrate.html

$$$$
S1499 Cefaclor.cdx
csChFnd80/08212509252D

 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
   11.1935    0.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7770    0.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    2.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7728    6.3875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    5.9740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0387    5.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    4.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    6.5994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7046    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    7.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    6.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    4.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4133    7.9470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3763    0.0000    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  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
  7 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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
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 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 18 25  1  1  0  0  0
M  END
>  <Mol_ID> (191)
1694

>  <Formula> (191)
C15H16ClN3O5S

>  <MolWeight> (191)
385.82264

>  <Cat> (191)
S1499

>  <Name> (191)
Cefaclor

>  <Synonyms> (191)
Cefachlor, Cefaclorum

>  <Target> (191)
Antibiotics

>  <Form> (191)
monohydrate

>  <CAS> (191)
70356-03-5

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/08212509252D

 47 51  0  0  0  0  0  0  0  0999 V2000
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   23.2029    7.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4157    8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
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  6 11  1  1  0  0  0
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 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
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 13 19  1  0  0  0  0
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 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
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 39 41  1  0  0  0  0
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 26 45  1  0  0  0  0
 45 34  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (192)
1699

>  <Formula> (192)
C37H42Cl2N2O6

>  <MolWeight> (192)
681.64518

>  <Cat> (192)
S3609

>  <Name> (192)
Berbamine dihydrochloride

>  <Synonyms> (192)
BA, BBM

>  <Target> (192)
Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (192)
dihydrochloride

>  <CAS> (192)
6078-17-7

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

$$$$
S3618 Acetylspiramycin.cdx
csChFnd80/08212509252D

 62 65  0  0  0  0  0  0  0  0999 V2000
   10.7783    7.4227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7783    5.9523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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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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   11.9908    5.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (193)
1701

>  <Formula> (193)
C45H76N2O15

>  <MolWeight> (193)
885.08934

>  <Cat> (193)
S3618

>  <Name> (193)
Acetylspiramycin (ASPM)

>  <Synonyms> (193)
Spiramycin II, Foromacidin B

>  <Target> (193)
Anti-infection

>  <Form> (193)
free base

>  <CAS> (193)
24916-51-6

>  <URL> (193)
http://selleckchem.com/products/acetylspiramycin.html

$$$$
S3606 Fangchinoline.cdx
csChFnd80/08212509252D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
1702

>  <Formula> (194)
C37H40N2O6

>  <MolWeight> (194)
608.7233

>  <Cat> (194)
S3606

>  <Name> (194)
Fangchinoline

>  <Synonyms> (194)
N/A

>  <Target> (194)
Reverse Transcriptase

>  <Form> (194)
free base

>  <CAS> (194)
33889-68-8

>  <URL> (194)
http://selleckchem.com/products/r-s-fangchinoline.html

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/08212509252D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (195)
1706

>  <Formula> (195)
C7H11ClN2O2S

>  <MolWeight> (195)
222.69244

>  <Cat> (195)
S3697

>  <Name> (195)
Mafenide hydrochloride

>  <Synonyms> (195)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (195)
Carbonic Anhydrase

>  <Form> (195)
hydrochloride

>  <CAS> (195)
138-37-4

>  <URL> (195)
http://selleckchem.com/products/mafenide-hydrochloride.html

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/08212509252D

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>  <Mol_ID> (196)
1717

>  <Formula> (196)
C37H40N2O6

>  <MolWeight> (196)
608.7233

>  <Cat> (196)
S3611

>  <Name> (196)
(+)-Fangchinoline

>  <Synonyms> (196)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (196)
Others

>  <Form> (196)
free base

>  <CAS> (196)
436-77-1

>  <URL> (196)
http://selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3610 Cordycepin.cdx
csChFnd80/08212509252D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (197)
1722

>  <Formula> (197)
C10H13N5O3

>  <MolWeight> (197)
251.24192

>  <Cat> (197)
S3610

>  <Name> (197)
Cordycepin

>  <Synonyms> (197)
3'-Deoxyadenosine

>  <Target> (197)
MMP

>  <Form> (197)
free base

>  <CAS> (197)
73-03-0

>  <URL> (197)
http://selleckchem.com/products/cordycepin.html

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/08212509252D

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  5  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  4 13  1  0  0  0  0
  7 11  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 14  1  0  0  0  0
 11 17  2  0  0  0  0
  3 18  1  1  0  0  0
  9 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 10 20  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (198)
1723

>  <Formula> (198)
C17H19FN2O7S

>  <MolWeight> (198)
414.4053632

>  <Cat> (198)
S3621

>  <Name> (198)
Pazufloxacin mesylate

>  <Synonyms> (198)
T-3762, Pazucross

>  <Target> (198)
Bacterial

>  <Form> (198)
methanesulfonate

>  <CAS> (198)
163680-77-1

>  <URL> (198)
http://selleckchem.com/products/pazufloxacin-mesylate.html

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/08212509252D

 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> (199)
1731

>  <Formula> (199)
C7H10N3NaO6S

>  <MolWeight> (199)
287.22557

>  <Cat> (199)
S3732

>  <Name> (199)
Avibactam sodium

>  <Synonyms> (199)
AVE-1330A, NXL104

>  <Target> (199)
¦Â-lactamase

>  <Form> (199)
sodium salt

>  <CAS> (199)
1192491-61-4

>  <URL> (199)
http://selleckchem.com/products/avibactam-sodium.html

$$$$
S3645 Kitasamycin.cdx
csChFnd80/08212509252D

 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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (200)
1732

>  <Formula> (200)
C40H67NO14

>  <MolWeight> (200)
785.95828

>  <Cat> (200)
S3645

>  <Name> (200)
Kitasamycin

>  <Synonyms> (200)
leucomycin

>  <Target> (200)
Antibiotics

>  <Form> (200)
free base

>  <CAS> (200)
1392-21-8

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

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/08212509252D

 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
   13.6463    4.3684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9955    6.4602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3640    6.7557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    5.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1345    4.5021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8523    5.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9521    7.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2388    8.7640    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8685    9.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6091    8.4773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5255   10.1343    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4021    5.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970    1.9838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0435    2.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    3.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    1.3520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7051    1.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3418    3.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892    3.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3633    1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159    0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4210    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    1.6136    0.0000 H   0  0  0  0  0  0  0  0  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
  3  8  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  4 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 21 22  1  0  0  0  0
 16 21  1  0  0  0  0
 15 20  1  0  0  0  0
 14 15  1  0  0  0  0
  5 14  1  0  0  0  0
 10 26  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  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 36  1  0  0  0  0
 31 36  2  0  0  0  0
 30 31  1  0  0  0  0
 30 37  1  6  0  0  0
 27 28  1  0  0  0  0
  9 27  1  6  0  0  0
  8 38  1  1  0  0  0
M  END
>  <Mol_ID> (201)
1739

>  <Formula> (201)
C18H16N6Na2O8S3

>  <MolWeight> (201)
586.52958

>  <Cat> (201)
S3672

>  <Name> (201)
Cefonicid sodium

>  <Synonyms> (201)
Monocid sodium

>  <Target> (201)
Antibiotics,Bacterial

>  <Form> (201)
disodium salt

>  <CAS> (201)
61270-78-8

>  <URL> (201)
http://selleckchem.com/products/cefonicid-sodium.html

$$$$
S3713 Moxidectin.cdx
csChFnd80/08212509252D

 48 52  0  0  0  0  0  0  0  0999 V2000
    8.4539   10.0509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6708    9.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539    8.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539   11.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1968   11.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474   10.1377    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2370    7.9647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6306   12.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0202   10.0509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8474   11.4615    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1146    9.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0202    8.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0632    6.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306   13.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (202)
1747

>  <Formula> (202)
C37H53NO8

>  <MolWeight> (202)
639.81862

>  <Cat> (202)
S3713

>  <Name> (202)
Moxidectin

>  <Synonyms> (202)
Milbemycin B

>  <Target> (202)
Parasite

>  <Form> (202)
free base

>  <CAS> (202)
113507-06-5

>  <URL> (202)
http://selleckchem.com/products/moxidectin.html

$$$$
S3637 Cefpirome (sulfate).cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (203)
1755

>  <Formula> (203)
C22H24N6O9S3

>  <MolWeight> (203)
612.65576

>  <Cat> (203)
S3637

>  <Name> (203)
Cefpirome sulfate

>  <Synonyms> (203)
HR-810 sulfate

>  <Target> (203)
Bacterial

>  <Form> (203)
sulfate

>  <CAS> (203)
98753-19-6

>  <URL> (203)
http://selleckchem.com/products/cefpirome-sulfate.html

$$$$
S3638 Cefamandole (nafate).cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (204)
1756

>  <Formula> (204)
C19H17N6NaO6S2

>  <MolWeight> (204)
512.49465

>  <Cat> (204)
S3638

>  <Name> (204)
Cefamandole nafate

>  <Synonyms> (204)
N/A

>  <Target> (204)
Bacterial

>  <Form> (204)
sodium salt

>  <CAS> (204)
42540-40-9

>  <URL> (204)
http://selleckchem.com/products/cefamandole-nafate.html

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/08212509252D

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 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
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (205)
1759

>  <Formula> (205)
C11H12N4O3S

>  <MolWeight> (205)
280.30298

>  <Cat> (205)
S3644

>  <Name> (205)
Sulfamonomethoxine

>  <Synonyms> (205)
N/A

>  <Target> (205)
Bacterial

>  <Form> (205)
free base

>  <CAS> (205)
1220-83-3

>  <URL> (205)
http://selleckchem.com/products/sulfamonomethoxine.html

$$$$
S3647 Mafenide (Acetate).cdx
csChFnd80/08212509252D

 16 15  0  0  0  0  0  0  0  0999 V2000
    4.8448    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    2.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    2.8169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648    3.5211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3506    4.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7590    1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2020    0.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9895    0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4144    0.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2020    2.3195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  5  2  0  0  0  0
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  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
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (206)
1760

>  <Formula> (206)
C9H14N2O4S

>  <MolWeight> (206)
246.28346

>  <Cat> (206)
S3647

>  <Name> (206)
Mafenide Acetate

>  <Synonyms> (206)
N/A

>  <Target> (206)
Carbonic Anhydrase

>  <Form> (206)
acetate

>  <CAS> (206)
13009-99-9

>  <URL> (206)
http://selleckchem.com/products/mafenide-acetate.html

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/08212509252D

 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
  1  4  1  0  0  0  0
  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> (207)
1764

>  <Formula> (207)
C19H28Cl2N6O6S2

>  <MolWeight> (207)
571.49822

>  <Cat> (207)
S3655

>  <Name> (207)
Cefepime Dihydrochloride Monohydrate

>  <Synonyms> (207)
N/A

>  <Target> (207)
Bacterial

>  <Form> (207)
dihydrochloride hydrate

>  <CAS> (207)
123171-59-5

>  <URL> (207)
http://selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

$$$$
S3722 Isavuconazole.cdx
csChFnd80/08212509252D

 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> (208)
1780

>  <Formula> (208)
C22H17F2N5OS

>  <MolWeight> (208)
437.4650864

>  <Cat> (208)
S3722

>  <Name> (208)
Isavuconazole

>  <Synonyms> (208)
BAL-4815, RO-0094815

>  <Target> (208)
Fungal

>  <Form> (208)
free base

>  <CAS> (208)
241479-67-4

>  <URL> (208)
http://selleckchem.com/products/isavuconazole.html

$$$$
S3707 Ethopabate.cdx
csChFnd80/08212509252D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    5.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    6.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4095    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
    4.8458    5.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    6.3020    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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  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
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 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
M  END
>  <Mol_ID> (209)
1789

>  <Formula> (209)
C12H15NO4

>  <MolWeight> (209)
237.2518

>  <Cat> (209)
S3707

>  <Name> (209)
Ethopabate

>  <Synonyms> (209)
Ethyl pabate

>  <Target> (209)
Parasite

>  <Form> (209)
free base

>  <CAS> (209)
59-06-3

>  <URL> (209)
http://selleckchem.com/products/ethopabate.html

$$$$
S3708 Sulfachloropyridazine.cdx
csChFnd80/08212509252D

 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
    4.8497    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    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
    6.0622    0.5124    0.0000 N   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
    2.4249    4.0124    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
    7.2746    1.2124    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
    7.2746    2.6124    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
    0.0000    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.3124    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
  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  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (210)
1790

>  <Formula> (210)
C10H9ClN4O2S

>  <MolWeight> (210)
284.72206

>  <Cat> (210)
S3708

>  <Name> (210)
Sulfachloropyridazine

>  <Synonyms> (210)
N/A

>  <Target> (210)
Antibiotics,Bacterial

>  <Form> (210)
free base

>  <CAS> (210)
80-32-0

>  <URL> (210)
http://selleckchem.com/products/sulfachloropyridazine.html

$$$$
S3712 Tulathromycin A.cdx
csChFnd80/08212509252D

 58 60  0  0  0  0  0  0  0  0999 V2000
   11.7666    2.1999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1667    4.9999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7332    8.4499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7332    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832    4.6833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9666    4.2833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9665    1.5166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3500    2.1999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3500    4.2833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7332    7.0499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5833    4.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6166    1.5166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500    2.1999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1999    1.5166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4166    3.2667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3500    7.0833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5833    6.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500    8.4499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7666    3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666    5.1666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5833    9.1667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5000    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667    6.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500    3.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0499    1.6832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.3832    1.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7332    6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9665    4.2833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9666    2.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333    6.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9665    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5833    2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    8.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500    7.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666    5.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9666    2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1833    8.1166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    1.5166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7333    4.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333    6.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833   10.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3832    0.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5833    2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9665    5.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5500    8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    0.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6999    7.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999    7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2499    1.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8644    9.8437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    5.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9835    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500    5.6833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
 12  1  1  0  0  0  0
 19  1  1  0  0  0  0
  1 54  1  1  0  0  0
  2  9  1  0  0  0  0
  6  2  1  0  0  0  0
  2 23  1  1  0  0  0
  3 21  1  0  0  0  0
 34  3  1  0  0  0  0
 10  3  1  0  0  0  0
  4  6  1  0  0  0  0
 11  4  1  0  0  0  0
 27  4  2  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  6  0  0  0
 37  5  1  0  0  0  0
 15  5  1  0  0  0  0
  6 38  1  1  0  0  0
 13  7  1  0  0  0  0
  7 31  1  1  0  0  0
  8 12  1  1  0  0  0
  9  8  1  0  0  0  0
 14  8  1  0  0  0  0
  9 41  1  6  0  0  0
 10 17  1  0  0  0  0
 10 35  1  6  0  0  0
 20 11  1  0  0  0  0
 13 26  1  6  0  0  0
 13 24  1  0  0  0  0
 29 14  1  0  0  0  0
 14 32  1  6  0  0  0
 14 42  1  1  0  0  0
 15 25  1  0  0  0  0
 15 36  1  1  0  0  0
 16 23  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 21 18  1  0  0  0  0
 28 19  1  0  0  0  0
 20 43  1  1  0  0  0
 21 44  1  1  0  0  0
 22 33  1  0  0  0  0
 25 22  1  0  0  0  0
 24 28  1  0  0  0  0
 25 47  1  6  0  0  0
 45 26  1  0  0  0  0
 46 26  1  0  0  0  0
 28 48  1  6  0  0  0
 40 29  1  0  0  0  0
 33 40  1  0  0  0  0
 39 34  1  0  0  0  0
 50 35  1  0  0  0  0
 49 39  1  0  0  0  0
 40 51  1  1  0  0  0
 53 43  1  0  0  0  0
 52 49  1  0  0  0  0
  3 55  1  6  0  0  0
 10 56  1  0  0  0  0
 52 57  1  0  0  0  0
 16 58  1  1  0  0  0
M  END
>  <Mol_ID> (211)
1794

>  <Formula> (211)
C41H79N3O12

>  <MolWeight> (211)
806.07886

>  <Cat> (211)
S3712

>  <Name> (211)
Tulathromycin A

>  <Synonyms> (211)
N/A

>  <Target> (211)
Bacterial

>  <Form> (211)
free base

>  <CAS> (211)
217500-96-4

>  <URL> (211)
http://selleckchem.com/products/tulathromycin-a.html

$$$$
S3741 Benznidazole.cdx
csChFnd80/08212509252D

 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
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  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
 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> (212)
1807

>  <Formula> (212)
C12H12N4O3

>  <MolWeight> (212)
260.24868

>  <Cat> (212)
S3741

>  <Name> (212)
Benznidazole

>  <Synonyms> (212)
Radanil

>  <Target> (212)
Parasite

>  <Form> (212)
free base

>  <CAS> (212)
22994-85-0

>  <URL> (212)
http://selleckchem.com/products/benznidazole.html

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/08212509252D

 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> (213)
1888

>  <Formula> (213)
C22H38O4Zn

>  <MolWeight> (213)
431.92472

>  <Cat> (213)
S3979

>  <Name> (213)
Zinc Undecylenate

>  <Synonyms> (213)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (213)
Fungal

>  <Form> (213)
zinc salt

>  <CAS> (213)
557-08-4

>  <URL> (213)
http://selleckchem.com/products/zinc-undecylenate.html

$$$$
S4783 Benzyl isothiocyanate.cdx
csChFnd80/08212509252D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4162    2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974    2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    2.1266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0081    0.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0514    2.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638    3.5278    0.0000 S   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
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (214)
2014

>  <Formula> (214)
C8H7NS

>  <MolWeight> (214)
149.21288

>  <Cat> (214)
S4783

>  <Name> (214)
Benzyl isothiocyanate

>  <Synonyms> (214)
Benzoylthiocarbimide, Isothiocyanic Acid Benzoyl Ester

>  <Target> (214)
Antibiotics

>  <Form> (214)
free base

>  <CAS> (214)
622-78-6

>  <URL> (214)
http://selleckchem.com/products/benzyl-isothiocyanate.html

$$$$
S4784 Phloracetophenone.cdx
csChFnd80/08212509252D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6396    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368    2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    4.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  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> (215)
2015

>  <Formula> (215)
C8H8O4

>  <MolWeight> (215)
168.14672

>  <Cat> (215)
S4784

>  <Name> (215)
Phloracetophenone

>  <Synonyms> (215)
2,4,6-trihydroxyacetophenone

>  <Target> (215)
P450 (e.g. CYP17)

>  <Form> (215)
free base

>  <CAS> (215)
480-66-0

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

$$$$
S4805 Carboxine.cdx
csChFnd80/08212509252D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4383    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6507    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    4.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    2.0918    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6507    0.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    4.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    4.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2893    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5026    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (216)
2029

>  <Formula> (216)
C12H13NO2S

>  <MolWeight> (216)
235.30212

>  <Cat> (216)
S4805

>  <Name> (216)
Carboxine

>  <Synonyms> (216)
Carbathiin, Vitavax, Kisvax, Carboxin

>  <Target> (216)
Dehydrogenase

>  <Form> (216)
free base

>  <CAS> (216)
5234-68-4

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

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/08212509252D

 37 39  0  0  0  0  0  0  0  0999 V2000
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    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
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   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
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    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
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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  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
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  3 30  1  1  0  0  0
 12 31  2  0  0  0  0
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 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (217)
2046

>  <Formula> (217)
C20H22N4O10S

>  <MolWeight> (217)
510.47448

>  <Cat> (217)
S4813

>  <Name> (217)
Cefuroxime axetil

>  <Synonyms> (217)
N/A

>  <Target> (217)
Antibiotics,Bacterial

>  <Form> (217)
free base

>  <CAS> (217)
64544-07-6

>  <URL> (217)
http://selleckchem.com/products/cefuroxime-axetil.html

$$$$
S4844 Cefcapene Pivoxil Hydrochloride.cdx
csChFnd80/08212509252D

 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
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  1  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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M  END
>  <Mol_ID> (218)
2048

>  <Formula> (218)
C23H32ClN5O9S2

>  <MolWeight> (218)
622.11128

>  <Cat> (218)
S4844

>  <Name> (218)
Cefcapene Pivoxil Hydrochloride

>  <Synonyms> (218)
N/A

>  <Target> (218)
Bacterial

>  <Form> (218)
hydrochloride, hydrate

>  <CAS> (218)
147816-24-8

>  <URL> (218)
http://selleckchem.com/products/cefcapene-pivoxil-hydrochloride.html

$$$$
S5005 Cefotiam hydrochloride.cdx
csChFnd80/08212509252D

 37 38  0  0  0  0  0  0  0  0999 V2000
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   21.1960    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5836    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1960    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.4084    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  1  1  0  0  0  0
 11  2  1  0  0  0  0
 29  3  1  0  0  0  0
  5 35  1  6  0  0  0
M  END
>  <Mol_ID> (219)
2049

>  <Formula> (219)
C18H25Cl2N9O4S3

>  <MolWeight> (219)
598.55

>  <Cat> (219)
S5005

>  <Name> (219)
Cefotiam hydrochloride

>  <Synonyms> (219)
Cefotiam dihydrochloride, Halospor, Pansporin, Pansporine

>  <Target> (219)
Anti-infection

>  <Form> (219)
dihydrochloride

>  <CAS> (219)
66309-69-1

>  <URL> (219)
http://selleckchem.com/products/cefotiam-hydrochloride.html

$$$$
S4812 Ceftizoxime.cdx
csChFnd80/08212509252D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    6.3991    2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4293    7.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0358    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    5.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4092    5.1354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4 26  1  6  0  0  0
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 13  5  2  0  0  0  0
 12  6  1  0  0  0  0
 16  6  2  0  0  0  0
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 17  7  2  0  0  0  0
 11  8  2  0  0  0  0
 10  9  1  0  0  0  0
 19 10  2  0  0  0  0
 22 11  1  0  0  0  0
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 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (220)
2065

>  <Formula> (220)
C13H13N5O5S2

>  <MolWeight> (220)
383.40282

>  <Cat> (220)
S4812

>  <Name> (220)
Ceftizoxime

>  <Synonyms> (220)
N/A

>  <Target> (220)
Antibiotics

>  <Form> (220)
free base

>  <CAS> (220)
68401-81-0

>  <URL> (220)
http://selleckchem.com/products/ceftizoxime.html

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/08212509252D

 45 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (221)
2068

>  <Formula> (221)
C36H35BrN2O6

>  <MolWeight> (221)
671.5769

>  <Cat> (221)
S4854

>  <Name> (221)
Bedaquiline fumarate

>  <Synonyms> (221)
TMC-207

>  <Target> (221)
Bacterial

>  <Form> (221)
fumarate

>  <CAS> (221)
845533-86-0

>  <URL> (221)
http://selleckchem.com/products/bedaquiline-fumarate.html

$$$$
S5007 Delamanid.cdx
csChFnd80/08212509252D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (222)
2071

>  <Formula> (222)
C25H25F3N4O6

>  <MolWeight> (222)
534.4844096

>  <Cat> (222)
S5007

>  <Name> (222)
Delamanid

>  <Synonyms> (222)
OPC-67683

>  <Target> (222)
Bacterial

>  <Form> (222)
free base

>  <CAS> (222)
681492-22-8

>  <URL> (222)
http://selleckchem.com/products/delamanid.html

$$$$
S4978 Azathramycin.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (223)
2074

>  <Formula> (223)
C37H70N2O12

>  <MolWeight> (223)
734.9579

>  <Cat> (223)
S4978

>  <Name> (223)
Azathramycin

>  <Synonyms> (223)
Azaerythromycin A, Azaerythromycin

>  <Target> (223)
Antibiotics

>  <Form> (223)
Macrolide antibiotics

>  <CAS> (223)
76801-85-9

>  <URL> (223)
http://selleckchem.com/products/azathramycin.html

$$$$
S4988 Tiamulin fumarate.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (224)
2082

>  <Formula> (224)
C32H51NO8S

>  <MolWeight> (224)
609.81424

>  <Cat> (224)
S4988

>  <Name> (224)
Tiamulin fumarate

>  <Synonyms> (224)
N/A

>  <Target> (224)
Ribosomal Peptidyl Transferase

>  <Form> (224)
fumarate

>  <CAS> (224)
55297-96-6

>  <URL> (224)
http://selleckchem.com/products/tiamulin-fumarate.html

$$$$
S4848 Dalbavancin.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (225)
2094

>  <Formula> (225)
C88H100Cl2N10O28

>  <MolWeight> (225)
1816.6918

>  <Cat> (225)
S4848

>  <Name> (225)
Dalbavancin

>  <Synonyms> (225)
Zeven, BI 397, MDL 63397

>  <Target> (225)
Antibiotics,Bacterial

>  <Form> (225)
free base

>  <CAS> (225)
171500-79-1

>  <URL> (225)
http://selleckchem.com/products/dalbavancin.html

$$$$
S4869 Sulfamethoxazole sodium.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (226)
2108

>  <Formula> (226)
C10H10N3NaO3S

>  <MolWeight> (226)
275.25947

>  <Cat> (226)
S4869

>  <Name> (226)
Sulfamethoxazole sodium

>  <Synonyms> (226)
N/A

>  <Target> (226)
Antibiotics,Bacterial

>  <Form> (226)
sodium

>  <CAS> (226)
4563-84-2

>  <URL> (226)
http://selleckchem.com/products/sulfamethoxazole-sodium.html

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (227)
2117

>  <Formula> (227)
C34H30N2O6S

>  <MolWeight> (227)
594.6768

>  <Cat> (227)
S2501

>  <Name> (227)
Pyrantel Pamoate

>  <Synonyms> (227)
Pyrantel Embonate

>  <Target> (227)
Parasite

>  <Form> (227)
salt

>  <CAS> (227)
22204-24-6

>  <URL> (227)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

$$$$
S4874 Cefazedone.cdx
csChFnd80/08212509252D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
2130

>  <Formula> (228)
C18H15Cl2N5O5S3

>  <MolWeight> (228)
548.4432

>  <Cat> (228)
S4874

>  <Name> (228)
Cefazedone

>  <Synonyms> (228)
Refosporen, Cefazedonum

>  <Target> (228)
Bacterial

>  <Form> (228)
free base

>  <CAS> (228)
56187-47-4

>  <URL> (228)
http://selleckchem.com/products/cefazedone.html

$$$$
S4875 Cephapirin Benzathine.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (229)
2131

>  <Formula> (229)
C50H54N8O12S4

>  <MolWeight> (229)
1087.27016

>  <Cat> (229)
S4875

>  <Name> (229)
Cephapirin Benzathine

>  <Synonyms> (229)
N/A

>  <Target> (229)
Bacterial

>  <Form> (229)
salt

>  <CAS> (229)
97468-37-6

>  <URL> (229)
http://selleckchem.com/products/cephapirin-benzathine.html

$$$$
S4885 Taurolidine.cdx
csChFnd80/08212509252D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (230)
2134

>  <Formula> (230)
C7H16N4O4S2

>  <MolWeight> (230)
284.35634

>  <Cat> (230)
S4885

>  <Name> (230)
Taurolidine

>  <Synonyms> (230)
Taurolin, Tauroline, Tauroflex

>  <Target> (230)
Antibiotics,Bacterial

>  <Form> (230)
free base

>  <CAS> (230)
19388-87-5

>  <URL> (230)
http://selleckchem.com/products/taurolidine.html

$$$$
S4898 Sulfalozine sodium.cdx
csChFnd80/08212509252D

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    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
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 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> (231)
2139

>  <Formula> (231)
C10H9ClN4O2S

>  <MolWeight> (231)
284.72206

>  <Cat> (231)
S4898

>  <Name> (231)
Sulfalozine sodium

>  <Synonyms> (231)
Sulfaclozine sodium, Sulfachlopryrazine sodium

>  <Target> (231)
Parasite

>  <Form> (231)
free base

>  <CAS> (231)
102-65-8

>  <URL> (231)
http://selleckchem.com/products/sulfalozine-sodium.html

$$$$
S4963 Purpurin.cdx
csChFnd80/08212509252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8611    3.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    4.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    3.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    5.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2979    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    5.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3020    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245    4.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5126    4.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0133    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  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
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 11  2  0  0  0  0
  9 16  1  0  0  0  0
  9 13  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (232)
2149

>  <Formula> (232)
C14H8O5

>  <MolWeight> (232)
256.21032

>  <Cat> (232)
S4963

>  <Name> (232)
Purpurin

>  <Synonyms> (232)
1,2,4-Trihydroxyanthraquinone, Hydroxylizaric acid, Verantin

>  <Target> (232)
Fungal,P450 (e.g. CYP17)

>  <Form> (232)
free base

>  <CAS> (232)
81-54-9

>  <URL> (232)
http://selleckchem.com/products/purpurin.html

$$$$
S4847 Faropenem Sodium.cdx
csChFnd80/08212509252D

 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
    8.1326    3.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2115    1.6901    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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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> (233)
2158

>  <Formula> (233)
C12H14NNaO5S

>  <MolWeight> (233)
307.29803

>  <Cat> (233)
S4847

>  <Name> (233)
Faropenem Sodium

>  <Synonyms> (233)
N/A

>  <Target> (233)
Antibiotics

>  <Form> (233)
sodium

>  <CAS> (233)
122547-49-3

>  <URL> (233)
http://selleckchem.com/products/faropenem-sodium.html

$$$$
S4870 Cefodizime Sodium.cdx
csChFnd80/08212509252D

 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
    8.4447    2.2578    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   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
   14.6511    2.9838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5006    4.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7779    4.9489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7178    3.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0214    2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1097    4.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5946    1.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9873    1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8069    2.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6882    7.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298    5.7209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6953    8.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441    7.6949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512    8.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  3  8  1  0  0  0  0
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 11 13  1  0  0  0  0
  4 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 23  1  0  0  0  0
 20 22  1  0  0  0  0
 15 17  1  0  0  0  0
 14 15  1  0  0  0  0
  5 14  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 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
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 29 36  1  0  0  0  0
 26 27  1  0  0  0  0
  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> (234)
2159

>  <Formula> (234)
C20H18N6Na2O7S4

>  <MolWeight> (234)
628.63246

>  <Cat> (234)
S4870

>  <Name> (234)
Cefodizime Sodium

>  <Synonyms> (234)
N/A

>  <Target> (234)
Antibiotics

>  <Form> (234)
disodium salt

>  <CAS> (234)
86329-79-5

>  <URL> (234)
http://selleckchem.com/products/cefodizime-sodium.html

$$$$
S4866 Nicarbazin.cdx
csChFnd80/08212509252D

 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
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    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
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   15.3083    0.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1947    0.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (235)
2163

>  <Formula> (235)
C19H18N6O6

>  <MolWeight> (235)
426.38282

>  <Cat> (235)
S4866

>  <Name> (235)
Nicarbazin

>  <Synonyms> (235)
N/A

>  <Target> (235)
Parasite

>  <Form> (235)
salt

>  <CAS> (235)
330-95-0

>  <URL> (235)
http://selleckchem.com/products/nicarbazin.html

$$$$
S4976 Sulfalene(SMPZ).cdx
csChFnd80/08212509252D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6195    7.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    5.6116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    7.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    7.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    4.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    9.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    9.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    9.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    4.2048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255   11.2334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    1.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    1.3969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    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
  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
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (236)
2165

>  <Formula> (236)
C11H12N4O3S

>  <MolWeight> (236)
280.30298

>  <Cat> (236)
S4976

>  <Name> (236)
Sulfalene (SMPZ)

>  <Synonyms> (236)
Butadiene sulfone, 3-Sulfolene

>  <Target> (236)
Others

>  <Form> (236)
free base

>  <CAS> (236)
152-47-6

>  <URL> (236)
http://selleckchem.com/products/sulfalene-smpz.html

$$$$
S4982 2,2'5',2''-Terthiophene.cdx
csChFnd80/08212509252D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.6077    1.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2698    1.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7351    2.1383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0436    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413    3.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1386    0.9396    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8551    1.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397    3.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    1.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707    3.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3120    0.8944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0668    3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4653    1.6910    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  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  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (237)
2166

>  <Formula> (237)
C12H8S3

>  <MolWeight> (237)
248.38692

>  <Cat> (237)
S4982

>  <Name> (237)
2,2':5',2''-Terthiophene

>  <Synonyms> (237)
N/A

>  <Target> (237)
Others

>  <Form> (237)
free base

>  <CAS> (237)
1081-34-1

>  <URL> (237)
http://selleckchem.com/products/terthiophene.html

$$$$
S4983 Sorbic acid.cdx
csChFnd80/08212509252D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8567    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0734    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2922    0.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    2.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.6891    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  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (238)
2167

>  <Formula> (238)
C6H8O2

>  <MolWeight> (238)
112.12652

>  <Cat> (238)
S4983

>  <Name> (238)
Sorbic acid

>  <Synonyms> (238)
2,4-Hexadienoic acid

>  <Target> (238)
Bacterial

>  <Form> (238)
free base

>  <CAS> (238)
110-44-1

>  <URL> (238)
http://selleckchem.com/products/sorbic-acid.html

$$$$
S3971 Fusidine.cdx
csChFnd80/08212509252D

 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
    7.3766    4.2312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1524    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0707    5.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.9344    5.6124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9344    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    6.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859    4.9468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6977    2.0907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    6.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1594    7.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    4.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    1.4063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2683    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2553    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    7.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8776    4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683    2.1093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    9.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    6.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9988    8.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1997    5.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9002    3.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7720   10.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989   12.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487   12.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822   13.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9784    2.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084    7.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    0.6907    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  6  0  0  0
  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
  3 10  1  0  0  0  0
  3 38  1  1  0  0  0
  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> (239)
2177

>  <Formula> (239)
C31H48O6

>  <MolWeight> (239)
516.70922

>  <Cat> (239)
S3971

>  <Name> (239)
Fusidine

>  <Synonyms> (239)
Fusidic Acid

>  <Target> (239)
Antibiotics

>  <Form> (239)
free base

>  <CAS> (239)
6990-06-3

>  <URL> (239)
http://selleckchem.com/products/fusidine.html

$$$$
Clindamycin.cdx
csChFnd80/08212509252D

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    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
    3.6331    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   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  1  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7576    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    4.4810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    4.1899    0.0000 C   0  0  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
    0.0000    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    5.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  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> (240)
2178

>  <Formula> (240)
C18H33ClN2O5S

>  <MolWeight> (240)
424.98302

>  <Cat> (240)
S2830

>  <Name> (240)
Clindamycin

>  <Synonyms> (240)
N/A

>  <Target> (240)
Bacterial

>  <Form> (240)
Free Base

>  <CAS> (240)
18323-44-9

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

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/08212509252D

 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
    2.4207    3.2521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    5.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.0521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    3.2521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (241)
2179

>  <Formula> (241)
C18H34Cl2N2O5S

>  <MolWeight> (241)
461.44396

>  <Cat> (241)
S2457

>  <Name> (241)
Clindamycin HCl

>  <Synonyms> (241)
N/A

>  <Target> (241)
Bacterial

>  <Form> (241)
Hydrochloride

>  <CAS> (241)
21462-39-5

>  <URL> (241)
http://selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (242)
2180

>  <Formula> (242)
C34H64Cl2N2O6S

>  <MolWeight> (242)
699.85276

>  <Cat> (242)
S2596

>  <Name> (242)
Clindamycin palmitate HCl

>  <Synonyms> (242)
N/A

>  <Target> (242)
Bacterial

>  <Form> (242)
Hydrochloride

>  <CAS> (242)
25507-04-4

>  <URL> (242)
http://selleckchem.com/products/clindamycin-palmitate-hcl.html

$$$$
spiramycin.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (243)
2184

>  <Formula> (243)
C43H74N2O14

>  <MolWeight> (243)
843.05266

>  <Cat> (243)
S4082

>  <Name> (243)
Spiramycin

>  <Synonyms> (243)
Formacidine

>  <Target> (243)
Antibiotics

>  <Form> (243)
free base

>  <CAS> (243)
8025-81-8

>  <URL> (243)
http://selleckchem.com/products/spiramycin.html

$$$$
Embelin.cdx
csChFnd80/08212509252D

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  1  3  2  0  0  0  0
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M  END
>  <Mol_ID> (244)
2214

>  <Formula> (244)
C17H26O4

>  <MolWeight> (244)
294.38594

>  <Cat> (244)
S7025

>  <Name> (244)
Embelin

>  <Synonyms> (244)
Embelic Acid, NSC 91874

>  <Target> (244)
Antineoplastic and Immunosuppressive Antibiotics,IAP

>  <Form> (244)
free base

>  <CAS> (244)
550-24-3

>  <URL> (244)
http://selleckchem.com/products/embelin.html

$$$$
Bleomycin sulfate.cdx
csChFnd80/08212509252D

102106  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (245)
2216

>  <Formula> (245)
C55H85N17O25S4

>  <MolWeight> (245)
1512.6223

>  <Cat> (245)
S1214

>  <Name> (245)
Bleomycin (NSC125066) sulfate

>  <Synonyms> (245)
Blenoxane,NSC125066

>  <Target> (245)
Antineoplastic and Immunosuppressive Antibiotics,DNA/RNA Synthesis,Selection Antibiotics for Transfected Cell

>  <Form> (245)
Sulfate

>  <CAS> (245)
9041-93-4

>  <URL> (245)
http://www.selleckchem.com/products/Bleomycin-sulfate.html

$$$$
S3860 Allicin.cdx
csChFnd80/08212509252D

  9  8  0  0  0  0  0  0  0  0999 V2000
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  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (246)
2303

>  <Formula> (246)
C6H10OS2

>  <MolWeight> (246)
162.273

>  <Cat> (246)
S3860

>  <Name> (246)
Allicin

>  <Synonyms> (246)
diallyl thiosulfinate

>  <Target> (246)
Fungal

>  <Form> (246)
free base

>  <CAS> (246)
539-86-6

>  <URL> (246)
http://selleckchem.com/products/allicin.html

$$$$
brefeldin A.cdx
csChFnd80/08212509252D

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    8.4292    2.1606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3560    3.5587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1086    4.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7815    1.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5440    2.9724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6630    4.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129    0.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292    4.9567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3284    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9421    3.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6482    0.7778    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  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
 12 13  1  0  0  0  0
 13  8  2  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 12  1  0  0  0  0
  3 17  1  1  0  0  0
  5 18  2  0  0  0  0
 12 19  1  1  0  0  0
 10 20  1  6  0  0  0
 15 21  1  6  0  0  0
 11 22  1  6  0  0  0
M  END
>  <Mol_ID> (247)
2317

>  <Formula> (247)
C16H24O4

>  <MolWeight> (247)
280.35936

>  <Cat> (247)
S7046

>  <Name> (247)
Brefeldin A

>  <Synonyms> (247)
BFA, Cyanein, Decumbin

>  <Target> (247)
Antibiotics,Apoptosis related,ATPase,Autophagy,CRISPR/Cas9,Mitophagy

>  <Form> (247)
free base

>  <CAS> (247)
20350-15-6

>  <URL> (247)
http://selleckchem.com/products/brefeldin-a.html

$$$$
carbadox.cdx
csChFnd80/08212509252D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  3  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
    8.4871    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1244    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
    8.4871    0.0000    0.0000 O   0  5  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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   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
    0.0000    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
  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
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  2  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
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (248)
2353

>  <Formula> (248)
C11H10N4O4

>  <MolWeight> (248)
262.2215

>  <Cat> (248)
S4312

>  <Name> (248)
Carbadox

>  <Synonyms> (248)
N/A

>  <Target> (248)
Others

>  <Form> (248)
Free Base

>  <CAS> (248)
6804-07-5

>  <URL> (248)
http://www.selleckchem.com/products/carbadox.html

$$$$
cephapirin sodium.cdx
csChFnd80/08212509252D

 29 30  0  0  0  0  0  0  0  0999 V2000
    6.0155    4.4836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0155    5.8885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2163    3.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5985    4.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5985    5.8885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2171    6.5969    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4258    4.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2163    2.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086    3.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086    6.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4246    5.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6382    3.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    1.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033    1.6749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9709    8.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    4.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9810    9.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3232    8.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0640    3.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433   10.5730    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2769    4.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0640    2.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3534   11.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9979   11.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7168   12.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7373   13.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3695   13.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6741    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
  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
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (249)
2355

>  <Formula> (249)
C17H16N3NaO6S2

>  <MolWeight> (249)
445.44521

>  <Cat> (249)
S4393

>  <Name> (249)
Cephapirin Sodium

>  <Synonyms> (249)
Cefapirin Sodium

>  <Target> (249)
Antibiotics,Bacterial

>  <Form> (249)
sodium

>  <CAS> (249)
24356-60-3

>  <URL> (249)
http://selleckchem.com/products/cephapirin-sodium.html

$$$$
cinoxacin.cdx
csChFnd80/08212509252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.4202    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2671    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2671    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5993    1.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4215    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5993    3.9277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    6.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    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  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  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  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
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  3 19  2  0  0  0  0
M  END
>  <Mol_ID> (250)
2356

>  <Formula> (250)
C12H10N2O5

>  <MolWeight> (250)
262.2182

>  <Cat> (250)
S4361

>  <Name> (250)
Cinoxacin

>  <Synonyms> (250)
N/A

>  <Target> (250)
Bacterial

>  <Form> (250)
Free Base

>  <CAS> (250)
28657-80-9

>  <URL> (250)
http://selleckchem.com/products/cinoxacin.html

$$$$
clofoctol.cdx
csChFnd80/08212509252D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.1621    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    7.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8078    7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4536    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4536    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369    7.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369    9.0253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    4.8180    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    9.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9699    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700    0.0000    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  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
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
  6 16  1  0  0  0  0
  3 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
 19 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> (251)
2357

>  <Formula> (251)
C21H26Cl2O

>  <MolWeight> (251)
365.33654

>  <Cat> (251)
S4394

>  <Name> (251)
Clofoctol

>  <Synonyms> (251)
N/A

>  <Target> (251)
Others

>  <Form> (251)
Free Base

>  <CAS> (251)
37693-01-9

>  <URL> (251)
http://www.selleckchem.com/products/clofoctol.html

$$$$
Ascomycin (FK 520, FR 900520, Immunomycin).cdx
csChFnd80/08212509252D

 58 61  0  0  0  0  0  0  0  0999 V2000
    9.3839    3.4049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3839    2.0251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2193    4.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6154    4.0798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2193    1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6154    1.3426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0325    3.4049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7279    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5932    5.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0325    2.0251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6154    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3559    4.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0325    4.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5381    2.3145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4359    6.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8529    1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1689    3.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3559    5.8602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3541    3.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1240    1.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591    4.9480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1689    2.4925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (252)
2476

>  <Formula> (252)
C43H69NO12

>  <MolWeight> (252)
792.00746

>  <Cat> (252)
S7411

>  <Name> (252)
Ascomycin (FK520)

>  <Synonyms> (252)
FR 900520, Immunomycin

>  <Target> (252)
Anti-infection

>  <Form> (252)
free base

>  <CAS> (252)
104987-12-4

>  <URL> (252)
http://selleckchem.com/products/ascomycin-fk520.html

$$$$
Puromycin dihydrochloride.cdx
csChFnd80/08212509252D

 36 37  0  0  0  0  0  0  0  0999 V2000
    9.7222   32.6282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   30.4513    6.3618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2368    7.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2368    8.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (253)
2518

>  <Formula> (253)
C22H31Cl2N7O5

>  <MolWeight> (253)
544.43144

>  <Cat> (253)
S7417

>  <Name> (253)
Puromycin (CL13900) 2HCl

>  <Synonyms> (253)
N/A

>  <Target> (253)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Selection Antibiotics for Transfected Cell

>  <Form> (253)
Dihydrochloride

>  <CAS> (253)
58-58-2

>  <URL> (253)
http://selleckchem.com/products/Puromycin-2HCl.html

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/08212509252D

 56 59  0  0  0  0  0  0  0  0999 V2000
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 23  9  1  0  0  0  0
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 27 28  1  0  0  0  0
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 31 32  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 36 40  1  1  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 37 43  1  6  0  0  0
  4 44  1  6  0  0  0
 44 45  1  0  0  0  0
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 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
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 49 50  1  0  0  0  0
 50 45  1  0  0  0  0
 47 51  1  6  0  0  0
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 49 55  1  6  0  0  0
 45 56  1  6  0  0  0
M  END
>  <Mol_ID> (254)
2553

>  <Formula> (254)
C38H65NO14

>  <MolWeight> (254)
759.921

>  <Cat> (254)
S7550

>  <Name> (254)
Erythromycin Cyclocarbonate

>  <Synonyms> (254)
Davercin

>  <Target> (254)
Bacterial

>  <Form> (254)
free base

>  <CAS> (254)
55224-05-0

>  <URL> (254)
http://selleckchem.com/products/erythromycin-cyclocarbonate.html

$$$$
Anisomycin.cdx
csChFnd80/08212509252D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.6458    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0726    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2851    2.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5005    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4235    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    0.7121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0746    2.1138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7069    2.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9309    0.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    3.0425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318    5.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418    4.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895    4.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1447    3.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
 10  9  1  6  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
 11 15  1  6  0  0  0
 12 19  1  1  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (255)
2679

>  <Formula> (255)
C14H19NO4

>  <MolWeight> (255)
265.30496

>  <Cat> (255)
S7409

>  <Name> (255)
Anisomycin

>  <Synonyms> (255)
Flagecidin, Wuningmeisu C

>  <Target> (255)
Apoptosis related,Autophagy,JNK

>  <Form> (255)
free base

>  <CAS> (255)
22862-76-6

>  <URL> (255)
http://selleckchem.com/products/anisomycin.html

$$$$
Fumagillin.cdx
csChFnd80/08212509252D

 34 36  0  0  0  0  0  0  0  0999 V2000
   14.5156    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.2156    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6156    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3156    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.6156    2.6124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.2156    2.6124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5156    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4556    3.4749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.8556    3.4733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1569    4.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2532    3.9647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0672    2.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2804    3.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4921    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7053    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4905    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5280    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0976    0.0000 C   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
    1.2082    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0932    4.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
  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
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 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> (256)
2730

>  <Formula> (256)
C26H34O7

>  <MolWeight> (256)
458.54396

>  <Cat> (256)
S7784

>  <Name> (256)
Fumagillin

>  <Synonyms> (256)
Amebacilin,NSC9168

>  <Target> (256)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (256)
free base

>  <CAS> (256)
23110-15-8

>  <URL> (256)
http://selleckchem.com/products/fumagillin.html

$$$$
STA-21.cdx
csChFnd80/08212509252D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  3  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
    2.4249    4.2000    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
    3.6373    6.3000    0.0000 C   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
    4.8497    4.2000    0.0000 C   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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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  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
  7 11  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  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  3 19  2  0  0  0  0
 11 20  2  0  0  0  0
 14 21  2  0  0  0  0
 18 22  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (257)
2747

>  <Formula> (257)
C19H14O4

>  <MolWeight> (257)
306.31206

>  <Cat> (257)
S7951

>  <Name> (257)
Ochromycinone (STA-21)

>  <Synonyms> (257)
N/A

>  <Target> (257)
STAT

>  <Form> (257)
free base

>  <CAS> (257)
111540-00-2

>  <URL> (257)
http://selleckchem.com/products/sta-21.html

$$$$
4-Hydroxytamoxifen (4-HT, Afimoxifene).cdx
csChFnd80/08212509252D

 29 31  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
    2.4249    4.2000    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
    0.0000    4.2000    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
    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   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
    8.4870    2.1000    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
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 N   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
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  3  0  0  0
 10 11  1  0  0  0  0
 10 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
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  CFW   9 B_NG_STER 3
M  END
>  <Mol_ID> (258)
2767

>  <Formula> (258)
C26H29NO2

>  <MolWeight> (258)
387.51396

>  <Cat> (258)
S7827

>  <Name> (258)
4-Hydroxytamoxifen (Afimoxifene)

>  <Synonyms> (258)
Afimoxifene

>  <Target> (258)
CRISPR/Cas9,Estrogen/progestogen Receptor

>  <Form> (258)
free base

>  <CAS> (258)
68392-35-8

>  <URL> (258)
http://selleckchem.com/products/4-hydroxytamoxifen-4-ht-afimoxifene.html

$$$$
S3703 Phenethyl alcohol.cdx
csChFnd80/08212509252D

  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> (259)
2843

>  <Formula> (259)
C8H10O

>  <MolWeight> (259)
122.1644

>  <Cat> (259)
S3703

>  <Name> (259)
Phenethyl alcohol

>  <Synonyms> (259)
2-phenylethanol, 2-Phenylethyl alcohol, Benzeneethanol, Phenylethanol

>  <Target> (259)
Bacterial

>  <Form> (259)
free base

>  <CAS> (259)
60-12-8

>  <URL> (259)
http://selleckchem.com/products/phenethyl-alcohol.html

$$$$
S5108 Tylosin.cdx
csChFnd80/08212509252D

 64 67  0  0  0  0  0  0  0  0999 V2000
   16.1347    8.0947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3658    6.4042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5464    7.8037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4237    8.6384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6372   11.1621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4319   11.8722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6372    9.7559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9551    6.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3003    9.7201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5271    9.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (260)
2852

>  <Formula> (260)
C46H77NO17

>  <MolWeight> (260)
916.10008

>  <Cat> (260)
S5108

>  <Name> (260)
Tylosin

>  <Synonyms> (260)
Fradizine, Tylocine, Tylosine, Tylosin A

>  <Target> (260)
Antibiotics

>  <Form> (260)
free base

>  <CAS> (260)
1401-69-0

>  <URL> (260)
http://selleckchem.com/products/tylosin.html

$$$$
S5117 Doramectin.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (261)
2877

>  <Formula> (261)
C50H74O14

>  <MolWeight> (261)
899.11416

>  <Cat> (261)
S5117

>  <Name> (261)
Doramectin

>  <Synonyms> (261)
Cyclohexylavermectin B1, Dectomax

>  <Target> (261)
Others

>  <Form> (261)
free base

>  <CAS> (261)
117704-25-3

>  <URL> (261)
http://selleckchem.com/products/doramectin.html

$$$$
S5159 Doxycycline.cdx
csChFnd80/08212509252D

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  8 14  2  0  0  0  0
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 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 18 23  2  0  0  0  0
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  9 33  1  0  0  0  0
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M  END
>  <Mol_ID> (262)
2890

>  <Formula> (262)
C22H24N2O8

>  <MolWeight> (262)
444.43456

>  <Cat> (262)
S5159

>  <Name> (262)
Doxycycline

>  <Synonyms> (262)
Vibramycin, Doxytetracycline, Doxiciclina, Doxycyclinum

>  <Target> (262)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Bacterial,MMP

>  <Form> (262)
free base

>  <CAS> (262)
564-25-0

>  <URL> (262)
http://selleckchem.com/products/doxycycline.html

$$$$
S5164 Chlorotetracycline.cdx
csChFnd80/08212509252D

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    8.4823    4.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2428    5.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6925    2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8463    2.7467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8463    4.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (263)
2891

>  <Formula> (263)
C22H23ClN2O8

>  <MolWeight> (263)
478.87962

>  <Cat> (263)
S5164

>  <Name> (263)
Chlorotetracycline

>  <Synonyms> (263)
N/A

>  <Target> (263)
Anti-infection

>  <Form> (263)
free base

>  <CAS> (263)
57-62-5

>  <URL> (263)
http://selleckchem.com/products/chlorotetracycline.html

$$$$
S5055 Milbemycin Oxime.cdx
csChFnd80/08212509252D

 44 47  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  2  1  0  0  0  0
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 16  4  2  0  0  0  0
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 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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A   36
R
A   44
R=CH3(80%);R=CH2CH3(20%)
M  END
>  <Mol_ID> (264)
2898

>  <Formula> (264)
C30H40NO7R2

>  <MolWeight> (264)
526.6411

>  <Cat> (264)
S5055

>  <Name> (264)
Milbemycin Oxime

>  <Synonyms> (264)
N/A

>  <Target> (264)
Parasite

>  <Form> (264)
Macrocyclic lactones

>  <CAS> (264)
129496-10-2

>  <URL> (264)
http://selleckchem.com/products/milbemycin-oxime.html

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/08212509252D

 77 78  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (265)
2901

>  <Formula> (265)
C52H90CaO20

>  <MolWeight> (265)
1075.337

>  <Cat> (265)
S5070

>  <Name> (265)
Mupirocin calcium

>  <Synonyms> (265)
Pseudomonic acid A

>  <Target> (265)
Antibiotics,Bacterial

>  <Form> (265)
calcium salt dihydrate

>  <CAS> (265)
115074-43-6

>  <URL> (265)
http://selleckchem.com/products/mupirocin-calcium.html

$$$$
S5094 Maduramycin Ammonium.cdx
csChFnd80/08212509252D

 72 77  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (266)
2909

>  <Formula> (266)
C47H83NO17

>  <MolWeight> (266)
934.15842

>  <Cat> (266)
S5094

>  <Name> (266)
Maduramycin Ammonium

>  <Synonyms> (266)
N/A

>  <Target> (266)
Parasite

>  <Form> (266)
Polyether ionophore

>  <CAS> (266)
84878-61-5

>  <URL> (266)
http://selleckchem.com/products/maduramycin-ammonium.html

$$$$
S5096 SulfadiMethoxine sodiuM.cdx
csChFnd80/08212509252D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    1.3811    2.4327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    4.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4116    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0175    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
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  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
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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (267)
2910

>  <Formula> (267)
C12H13N4NaO4S

>  <MolWeight> (267)
332.31079

>  <Cat> (267)
S5096

>  <Name> (267)
SulfadiMethoxine sodium

>  <Synonyms> (267)
Sulfadimethoxydiazine sodium

>  <Target> (267)
Anti-infection

>  <Form> (267)
sodium salt

>  <CAS> (267)
1037-50-9

>  <URL> (267)
http://selleckchem.com/products/sulfadiMethoxine-sodium.html

$$$$
S5201 Acetylisovaleryltylosin Tartrate.cdx
csChFnd80/08212509252D

 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
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   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
    0.0000    8.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1024   12.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7412   12.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6578   10.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2527   11.8539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   17.3169    8.0486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   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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   13.7074   14.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7837   15.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3526   12.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8432    6.8507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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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  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  4  8  1  1  0  0  0
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 10  9  1  0  0  0  0
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 59 60  1  0  0  0  0
 60 31  1  0  0  0  0
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 65 57  2  0  0  0  0
 66 54  1  0  0  0  0
 37 67  1  1  0  0  0
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 69 35  2  0  0  0  0
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 73 71  1  0  0  0  0
 32 74  1  1  0  0  0
  1 75  1  1  0  0  0
 77 76  1  0  0  0  0
 78 77  1  0  0  0  0
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 84 82  1  0  0  0  0
 76 85  1  6  0  0  0
M  END
>  <Mol_ID> (268)
2912

>  <Formula> (268)
C57H93NO25

>  <MolWeight> (268)
1192.34002

>  <Cat> (268)
S5201

>  <Name> (268)
Acetylisovaleryltylosin Tartrate

>  <Synonyms> (268)
AK105039

>  <Target> (268)
Bacterial

>  <Form> (268)
tartrate

>  <CAS> (268)
63428-13-7

>  <URL> (268)
http://selleckchem.com/products/acetylisovaleryltylosin-tartrate.html

$$$$
S5202 Quinocetone.cdx
csChFnd80/08212509252D

 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
    4.8434    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0543    4.2006    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
  5  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  4  2  0  0  0  0
  9  2  1  0  0  0  0
  2  6  1  0  0  0  0
  4  3  1  0  0  0  0
  7  3  1  0  0  0  0
 13  4  1  0  0  0  0
  6  5  2  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 10  7  1  0  0  0  0
 12  7  2  0  0  0  0
 11 10  2  0  0  0  0
 14 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 20 15  2  0  0  0  0
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 22 18  1  0  0  0  0
 19 20  1  0  0  0  0
 23 21  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (269)
2913

>  <Formula> (269)
C18H14N2O3

>  <MolWeight> (269)
306.31536

>  <Cat> (269)
S5202

>  <Name> (269)
Quinocetone

>  <Synonyms> (269)
N/A

>  <Target> (269)
Bacterial

>  <Form> (269)
free base

>  <CAS> (269)
81810-66-4

>  <URL> (269)
http://selleckchem.com/products/quinocetone.html

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/08212509252D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   10.0172    2.3289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    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> (270)
2914

>  <Formula> (270)
C16H17KN2O4S

>  <MolWeight> (270)
372.48048

>  <Cat> (270)
S5206

>  <Name> (270)
Benzylpenicillin potassium

>  <Synonyms> (270)
Penicillin G potassium

>  <Target> (270)
Antibiotics

>  <Form> (270)
potassium salt

>  <CAS> (270)
113-98-4

>  <URL> (270)
http://selleckchem.com/products/benzylpenicillin-potassium.html

$$$$
S5208 Ciprofloxacin hydrochloride hydrate.cdx
csChFnd80/08212509252D

 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> (271)
2915

>  <Formula> (271)
C17H21ClFN3O4

>  <MolWeight> (271)
385.8177432

>  <Cat> (271)
S5208

>  <Name> (271)
Ciprofloxacin hydrochloride hydrate

>  <Synonyms> (271)
Ciloxan, Ceprimax, Oftacilox,Bay-09867 hydrochloride hydrate

>  <Target> (271)
Antibiotics,Bacterial

>  <Form> (271)
hydrochloride hydrate

>  <CAS> (271)
86393-32-0

>  <URL> (271)
http://selleckchem.com/products/ciprofloxacin-hydrochloride-hydrate.html

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/08212509252D

 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> (272)
2916

>  <Formula> (272)
C15H17FN4O3R

>  <MolWeight> (272)
320.3188832

>  <Cat> (272)
S5209

>  <Name> (272)
Enoxacin Sesquihydrate

>  <Synonyms> (272)
Enoxacin hydrate

>  <Target> (272)
Bacterial

>  <Form> (272)
sesquihydrate

>  <CAS> (272)
84294-96-2

>  <URL> (272)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

$$$$
S5210 Sulfamethazine Sodium Salt.cdx
csChFnd80/08212509252D

 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> (273)
2917

>  <Formula> (273)
C12H13N4NaO2S

>  <MolWeight> (273)
300.31199

>  <Cat> (273)
S5210

>  <Name> (273)
Sulfamethazine Sodium Salt

>  <Synonyms> (273)
Sulfadimethyldiazine Sodium Salt

>  <Target> (273)
Anti-infection

>  <Form> (273)
sodium salt

>  <CAS> (273)
1981-58-4

>  <URL> (273)
http://selleckchem.com/products/sulfamethazine-sodium-salt.html

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/08212509252D

 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> (274)
2918

>  <Formula> (274)
C7H7NO3

>  <MolWeight> (274)
153.13538

>  <Cat> (274)
S5211

>  <Name> (274)
4-Aminosalicylic acid

>  <Synonyms> (274)
Para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (274)
Bacterial

>  <Form> (274)
free base

>  <CAS> (274)
65-49-6

>  <URL> (274)
http://selleckchem.com/products/4-aminosalicylic-acid.html

$$$$
S4941 Farnesol.cdx
csChFnd80/08212509252D

 16 15  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    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    1.4000    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
    9.6995    2.1000    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
    7.2746    2.1000    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
    6.0622    0.0000    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    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
    1.2124    1.4000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    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
  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  9  1  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  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (275)
2943

>  <Formula> (275)
C15H26O

>  <MolWeight> (275)
222.36634

>  <Cat> (275)
S4941

>  <Name> (275)
Farnesol

>  <Synonyms> (275)
N/A

>  <Target> (275)
Antibiotics

>  <Form> (275)
free base

>  <CAS> (275)
4602-84-0

>  <URL> (275)
http://selleckchem.com/products/farnesol.html

$$$$
S5040 Tiamulin.cdx
csChFnd80/08212509252D

 35 37  0  0  0  0  0  0  0  0999 V2000
   11.0182    1.8981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6565    3.3202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5514    1.3718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6746    1.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0931    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0182    4.6470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0227    3.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1853    1.9819    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5682    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2489    2.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2802    1.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    5.2573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.0080    4.0648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (276)
2955

>  <Formula> (276)
C28H47NO4S

>  <MolWeight> (276)
493.74208

>  <Cat> (276)
S5040

>  <Name> (276)
Tiamulin

>  <Synonyms> (276)
N/A

>  <Target> (276)
Ribosomal Peptidyl Transferase

>  <Form> (276)
free base

>  <CAS> (276)
55297-95-5

>  <URL> (276)
http://selleckchem.com/products/tiamulin.html

$$$$
S5081 Ceforanide.cdx
csChFnd80/08212509252D

 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
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   10.0020    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1994    2.8087    0.0000 C   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 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
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 17 20  1  0  0  0  0
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 29 33  1  0  0  0  0
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 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
M  END
>  <Mol_ID> (277)
2960

>  <Formula> (277)
C20H21N7O6S2

>  <MolWeight> (277)
519.55404

>  <Cat> (277)
S5081

>  <Name> (277)
Ceforanide

>  <Synonyms> (277)
N/A

>  <Target> (277)
Bacterial

>  <Form> (277)
free base

>  <CAS> (277)
60925-61-3

>  <URL> (277)
http://selleckchem.com/products/ceforanide.html

$$$$
S5037 Phenazine methosulfate.cdx
csChFnd80/08212509252D

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.8217    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8217    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0341    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6093    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3968    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6093    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1844    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1844    4.2000    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  2  0  0  0  0
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 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  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
M  END
>  <Mol_ID> (278)
2971

>  <Formula> (278)
C14H14N2O4S

>  <MolWeight> (278)
306.33696

>  <Cat> (278)
S5037

>  <Name> (278)
Phenazine methosulfate

>  <Synonyms> (278)
N-Methylphenazonium methosulfate, 5-Methylphenazinium methyl sulfate

>  <Target> (278)
Others

>  <Form> (278)
methosulfate

>  <CAS> (278)
299-11-6

>  <URL> (278)
http://selleckchem.com/products/phenazine-methosulfate.html

$$$$
S4880 Cefathiamidine.cdx
csChFnd80/08212509252D

 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
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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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 32  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
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 23 25  2  0  0  0  0
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 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (279)
2974

>  <Formula> (279)
C19H28N4O6S2

>  <MolWeight> (279)
472.57882

>  <Cat> (279)
S4880

>  <Name> (279)
Cefathiamidine

>  <Synonyms> (279)
N/A

>  <Target> (279)
Bacterial

>  <Form> (279)
free base

>  <CAS> (279)
33075-00-2

>  <URL> (279)
http://selleckchem.com/products/cefathiamidine.html

$$$$
S4999 Avermectin B1.cdx
csChFnd80/08212509252D

 65 71  0  0  0  0  0  0  0  0999 V2000
   18.7965    9.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.7680    8.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5473   10.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0316    8.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7965   10.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5329    7.4816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3122    9.5684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.2528    9.5261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0316   11.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3122    8.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5046    6.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0771   10.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (280)
2977

>  <Formula> (280)
C48H72O14

>  <MolWeight> (280)
873.07688

>  <Cat> (280)
S4999

>  <Name> (280)
Avermectin B1

>  <Synonyms> (280)
abamectin

>  <Target> (280)
Parasite

>  <Form> (280)
Macrocyclic lactones

>  <CAS> (280)
71751-41-2

>  <URL> (280)
http://selleckchem.com/products/avermectin.html

$$$$
S5227 Erythromycin thiocyanate.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (281)
2980

>  <Formula> (281)
C38H68N2O13S

>  <MolWeight> (281)
793.01712

>  <Cat> (281)
S5227

>  <Name> (281)
Erythromycin thiocyanate

>  <Synonyms> (281)
N/A

>  <Target> (281)
Antibiotics,Bacterial

>  <Form> (281)
thiocyanate

>  <CAS> (281)
7704-67-8

>  <URL> (281)
http://selleckchem.com/products/erythromycin-thiocyanate.html

$$$$
S5332 Cefquinome sulfate.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (282)
2998

>  <Formula> (282)
C23H26N6O9S3

>  <MolWeight> (282)
626.68234

>  <Cat> (282)
S5332

>  <Name> (282)
Cefquinome sulfate

>  <Synonyms> (282)
N/A

>  <Target> (282)
Bacterial

>  <Form> (282)
sulfate

>  <CAS> (282)
118443-89-3

>  <URL> (282)
http://selleckchem.com/products/cefquinome-sulfate.html

$$$$
S5262 UNC-926.cdx
csChFnd80/08212509252D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (283)
3006

>  <Formula> (283)
C16H21BrN2O

>  <MolWeight> (283)
337.25474

>  <Cat> (283)
S5262

>  <Name> (283)
UNC-926

>  <Synonyms> (283)
N/A

>  <Target> (283)
Epigenetic Reader Domain

>  <Form> (283)
free base

>  <CAS> (283)
1184136-10-4

>  <URL> (283)
http://selleckchem.com/products/unc-926.html

$$$$
S5268 Solithromycin.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (284)
3007

>  <Formula> (284)
C43H65FN6O10

>  <MolWeight> (284)
845.0088032

>  <Cat> (284)
S5268

>  <Name> (284)
Solithromycin

>  <Synonyms> (284)
CEM-101, OP-1068

>  <Target> (284)
Antibiotics,Bacterial

>  <Form> (284)
free base

>  <CAS> (284)
760981-83-7

>  <URL> (284)
http://selleckchem.com/products/solithromycin.html

$$$$
S5289 Ceftezole.cdx
csChFnd80/08212509252D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (285)
3022

>  <Formula> (285)
C13H12N8O4S3

>  <MolWeight> (285)
440.48058

>  <Cat> (285)
S5289

>  <Name> (285)
Ceftezole

>  <Synonyms> (285)
Celoslin, Falomesin

>  <Target> (285)
Bacterial

>  <Form> (285)
free base

>  <CAS> (285)
26973-24-0

>  <URL> (285)
http://selleckchem.com/products/ceftezole.html

$$$$
S5291 Sulfisomidin.cdx
csChFnd80/08212509252D

 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> (286)
3023

>  <Formula> (286)
C12H14N4O2S

>  <MolWeight> (286)
278.33016

>  <Cat> (286)
S5291

>  <Name> (286)
sulfaisodimidine

>  <Synonyms> (286)
Sulfamethin, Sulfaisodimidine

>  <Target> (286)
Bacterial

>  <Form> (286)
free base

>  <CAS> (286)
515-64-0

>  <URL> (286)
http://selleckchem.com/products/sulfaisodimidine.html

$$$$
S5294 Cephalotin acid.cdx
csChFnd80/08212509252D

 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> (287)
3026

>  <Formula> (287)
C16H16N2O6S2

>  <MolWeight> (287)
396.43804

>  <Cat> (287)
S5294

>  <Name> (287)
Cephalotin acid

>  <Synonyms> (287)
Cephalothin, Cefalotin, Cephalothinum

>  <Target> (287)
Antibiotics

>  <Form> (287)
free base

>  <CAS> (287)
153-61-7

>  <URL> (287)
http://selleckchem.com/products/cephalotin-acid.html

$$$$
S5295 Lincomycin Hydrochloride Monohydrate.cdx
csChFnd80/08212509252D

 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> (288)
3027

>  <Formula> (288)
C18H37ClN2O7S

>  <MolWeight> (288)
461.01358

>  <Cat> (288)
S5295

>  <Name> (288)
Lincomycin Hydrochloride Monohydrate

>  <Synonyms> (288)
N/A

>  <Target> (288)
Antibiotics,Antibiotics for Mammalian Cell Culture

>  <Form> (288)
hydrochloride, hydrate

>  <CAS> (288)
7179-49-9

>  <URL> (288)
http://selleckchem.com/products/lincomycin-hydrochloride-monohydrate.html

$$$$
S5297 Vidarabine monohydrate.cdx
csChFnd80/08212509252D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1810    6.9304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5154    7.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396    5.6018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3610    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5279    8.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7146    6.6489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    5.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5617    4.4758    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2016    9.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369    9.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9393    7.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    3.7712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7177    3.3396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9616    4.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    8.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369   10.8537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    2.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    2.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880    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
  8 14  1  1  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
M  END
>  <Mol_ID> (289)
3028

>  <Formula> (289)
C10H15N5O5

>  <MolWeight> (289)
285.2566

>  <Cat> (289)
S5297

>  <Name> (289)
Vidarabine monohydrate

>  <Synonyms> (289)
Spongoadenosine monohydrate, Vira-A monohydrate

>  <Target> (289)
DNA/RNA Synthesis

>  <Form> (289)
hydrate

>  <CAS> (289)
24356-66-9

>  <URL> (289)
http://selleckchem.com/products/vidarabine-monohydrate.html

$$$$
S5298 Amoxicillin trihydrate.cdx
csChFnd80/08212509252D

 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> (290)
3029

>  <Formula> (290)
C16H25N3O8S

>  <MolWeight> (290)
419.45

>  <Cat> (290)
S5298

>  <Name> (290)
Amoxicillin trihydrate

>  <Synonyms> (290)
Amoxil trihydrate, Amoxipen trihydrate, Moxaline trihydrate

>  <Target> (290)
Antibiotics,Bacterial

>  <Form> (290)
trihydrate

>  <CAS> (290)
61336-70-7

>  <URL> (290)
http://selleckchem.com/products/amoxicillin-trihydrate.html

$$$$
S5299 Tosufloxacin p-Toluenesulfonate Hydrate.cdx
csChFnd80/08212509252D

 41 43  0  0  0  0  0  0  0  0999 V2000
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    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
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 31 32  1  0  0  0  0
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 35 30  1  0  0  0  0
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 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> (291)
3030

>  <Formula> (291)
C26H25F3N4O7S

>  <MolWeight> (291)
594.5595096

>  <Cat> (291)
S5299

>  <Name> (291)
Tosufloxacin p-Toluenesulfonate Hydrate

>  <Synonyms> (291)
Tosufloxacin Tosylate Hydrate, T-3262 Tosylate Hydrate

>  <Target> (291)
Antibiotics

>  <Form> (291)
4-methylbenzenesulfonate, hy

>  <CAS> (291)
1400591-39-0

>  <URL> (291)
http://selleckchem.com/products/tosufloxacin-p-toluenesulfonate-hydrate.html

$$$$
S5331 Ceftezole sodium.cdx
csChFnd80/08212509252D

 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
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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
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  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
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  9 29  2  0  0  0  0
  7 30  1  6  0  0  0
M  END
>  <Mol_ID> (292)
3031

>  <Formula> (292)
C13H11N8NaO4S3

>  <MolWeight> (292)
462.46241

>  <Cat> (292)
S5331

>  <Name> (292)
Ceftezole sodium

>  <Synonyms> (292)
Celoslin sodium, Falomesin sodium

>  <Target> (292)
Bacterial

>  <Form> (292)
sodium salt

>  <CAS> (292)
41136-22-5

>  <URL> (292)
http://selleckchem.com/products/ceftezole-sodium.html

$$$$
S5333 Sulbenicillin Sodium.cdx
csChFnd80/08212509252D

 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
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   10.9219    2.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   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
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    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
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  1  2  1  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  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
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 16 19  1  0  0  0  0
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 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> (293)
3032

>  <Formula> (293)
C16H16N2Na2O7S2

>  <MolWeight> (293)
458.41698

>  <Cat> (293)
S5333

>  <Name> (293)
Sulbenicillin Sodium

>  <Synonyms> (293)
Sulfocillin, Sulfobenzylpenicillin

>  <Target> (293)
Antibiotics

>  <Form> (293)
sodium salt

>  <CAS> (293)
28002-18-8

>  <URL> (293)
http://selleckchem.com/products/sulbenicillin-sodium.html

$$$$
S5420 Clindamycin alcoholate.cdx
csChFnd80/08212509252D

 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
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   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
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    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
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  6  1  1  0  0  0  0
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 21 10  1  0  0  0  0
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 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> (294)
3042

>  <Formula> (294)
C18H36Cl2N2O6S

>  <MolWeight> (294)
479.45924

>  <Cat> (294)
S5420

>  <Name> (294)
Clindamycin alcoholate

>  <Synonyms> (294)
N/A

>  <Target> (294)
Antibiotics,Bacterial

>  <Form> (294)
hydrochloride, monohydrate

>  <CAS> (294)
58207-19-5

>  <URL> (294)
http://selleckchem.com/products/clindamycin-alcoholate.html

$$$$
S5421 Fluoroquinolonic Acid.cdx
csChFnd80/08212509252D

 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> (295)
3043

>  <Formula> (295)
C13H9ClFNO3

>  <MolWeight> (295)
281.6668632

>  <Cat> (295)
S5421

>  <Name> (295)
Fluoroquinolonic Acid

>  <Synonyms> (295)
Ciprofloxacin Impurity A, Q-Acid

>  <Target> (295)
Antibiotics

>  <Form> (295)
free base

>  <CAS> (295)
86393-33-1

>  <URL> (295)
http://selleckchem.com/products/fluoroquinolonic-acid.html

$$$$
S5492 Econazole.cdx
csChFnd80/08212509252D

 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> (296)
3051

>  <Formula> (296)
C18H15Cl3N2O

>  <MolWeight> (296)
381.6835

>  <Cat> (296)
S5492

>  <Name> (296)
Econazole

>  <Synonyms> (296)
N/A

>  <Target> (296)
Bacterial

>  <Form> (296)
free base

>  <CAS> (296)
27220-47-9

>  <URL> (296)
http://selleckchem.com/products/econazole.html

$$$$
S5515 Penicillin G Procaine.cdx
csChFnd80/08212509252D

 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
   14.8199    6.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3240   11.3412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9903   11.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5634    9.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003   11.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6538   11.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990   12.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3349   12.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   11.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8803   10.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2444   10.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074    7.9614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9068   10.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8937    8.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5011   11.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    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
    2.4206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.4047    1.7061    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
  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  6  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
 11 12  1  0  0  0  0
  6 11  1  1  0  0  0
  7 21  2  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 29 41  1  0  0  0  0
M  END
>  <Mol_ID> (297)
3054

>  <Formula> (297)
C29H40N4O7S

>  <MolWeight> (297)
588.7155

>  <Cat> (297)
S5515

>  <Name> (297)
Penicillin G Procaine

>  <Synonyms> (297)
Procaine benzylpenicillin,PGP

>  <Target> (297)
Antibiotics,Bacterial

>  <Form> (297)
salt

>  <CAS> (297)
6130-64-9

>  <URL> (297)
http://selleckchem.com/products/penicillin-g-procaine.html

$$$$
S4833 Cefoxitin sodium.cdx
csChFnd80/08212509252D

 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
   12.1329    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0145    2.2658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    6.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0938    8.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8142    2.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    6.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    8.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    8.9330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.2041    2.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251    0.9527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    6.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4741    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    6.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446    8.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5937    3.3758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900    8.9827    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  1  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 29  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
  9 14  2  0  0  0  0
 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  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (298)
3061

>  <Formula> (298)
C16H16N3NaO7S2

>  <MolWeight> (298)
449.43391

>  <Cat> (298)
S4833

>  <Name> (298)
Cefoxitin sodium

>  <Synonyms> (298)
N/A

>  <Target> (298)
Antibiotics,Bacterial

>  <Form> (298)
sodium salt

>  <CAS> (298)
33564-30-6

>  <URL> (298)
http://selleckchem.com/products/cefoxitin-sodium.html

$$$$
S4846 Meropenem Trihydrate.cdx
csChFnd80/08212509252D

 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
   11.7757    4.1517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1096    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3791    2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758    4.1475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1067    4.5859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9310    3.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5442    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891    1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (299)
3063

>  <Formula> (299)
C17H31N3O8S

>  <MolWeight> (299)
437.50834

>  <Cat> (299)
S4846

>  <Name> (299)
Meropenem Trihydrate

>  <Synonyms> (299)
N/A

>  <Target> (299)
Bacterial

>  <Form> (299)
trihydrate

>  <CAS> (299)
119478-56-7

>  <URL> (299)
http://selleckchem.com/products/meropenem-trihydrate.html

$$$$
S4850 Flucloxacillin sodium.cdx
csChFnd80/08212509252D

 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
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   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> (300)
3064

>  <Formula> (300)
C19H16ClFN3NaO5S

>  <MolWeight> (300)
475.8536132

>  <Cat> (300)
S4850

>  <Name> (300)
Flucloxacillin sodium

>  <Synonyms> (300)
Floxacillin sodium

>  <Target> (300)
Antibiotics,Bacterial

>  <Form> (300)
sodium salt

>  <CAS> (300)
1847-24-1

>  <URL> (300)
http://selleckchem.com/products/flucloxacillin-sodium.html

$$$$
S4865 Cefetamet pivoxil hydrochloride.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (301)
3066

>  <Formula> (301)
C20H26ClN5O7S2

>  <MolWeight> (301)
548.03274

>  <Cat> (301)
S4865

>  <Name> (301)
Cefetamet pivoxil hydrochloride

>  <Synonyms> (301)
N/A

>  <Target> (301)
Antibiotics

>  <Form> (301)
hydrochloride

>  <CAS> (301)
111696-23-2

>  <URL> (301)
http://selleckchem.com/products/cefetamet-pivoxil-hydrochloride.html

$$$$
S4996 AN-2690.cdx
csChFnd80/08212509252D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (302)
3070

>  <Formula> (302)
C7H6BFO2

>  <MolWeight> (302)
151.9307432

>  <Cat> (302)
S4996

>  <Name> (302)
Tavaborole (AN-2690)

>  <Synonyms> (302)
N/A

>  <Target> (302)
Fungal

>  <Form> (302)
free base

>  <CAS> (302)
174671-46-6

>  <URL> (302)
http://selleckchem.com/products/tavaborole-an-2690.html

$$$$
S5350 Cefpodoxime proxetil.cdx
csChFnd80/08212509252D

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   13.3124    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6143    9.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5239    4.9707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9407    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9530   11.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7186    4.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1891    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9407    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3181    7.7294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
 23  2  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
 12  4  1  0  0  0  0
  4 38  1  6  0  0  0
  7  5  1  0  0  0  0
 13  5  2  0  0  0  0
  6  8  1  0  0  0  0
  9  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  1  0  0  0  0
 24  7  2  0  0  0  0
  8 11  1  0  0  0  0
 22  8  2  0  0  0  0
 14  9  2  0  0  0  0
 11 10  1  0  0  0  0
 25 11  2  0  0  0  0
 20 12  1  0  0  0  0
 20 13  1  0  0  0  0
 29 13  1  0  0  0  0
 28 14  1  0  0  0  0
 18 14  1  0  0  0  0
 15 19  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
 18 16  1  0  0  0  0
 21 17  1  0  0  0  0
 19 21  1  0  0  0  0
 33 21  1  0  0  0  0
 30 22  1  0  0  0  0
 32 27  1  0  0  0  0
 31 29  1  0  0  0  0
 34 30  1  0  0  0  0
 35 31  1  0  0  0  0
 36 32  1  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (303)
3094

>  <Formula> (303)
C21H27N5O9S2

>  <MolWeight> (303)
557.59718

>  <Cat> (303)
S5350

>  <Name> (303)
Cefpodoxime proxetil

>  <Synonyms> (303)
N/A

>  <Target> (303)
Antibiotics,Bacterial

>  <Form> (303)
free base

>  <CAS> (303)
87239-81-4

>  <URL> (303)
http://selleckchem.com/products/cefpodoxime-proxetil.html

$$$$
S5410 Chloramphenicol sodium succinate.cdx
csChFnd80/08212509252D

 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> (304)
3113

>  <Formula> (304)
C15H15Cl2N2NaO8

>  <MolWeight> (304)
445.18397

>  <Cat> (304)
S5410

>  <Name> (304)
Chloramphenicol sodium succinate

>  <Synonyms> (304)
N/A

>  <Target> (304)
Antibiotics,Bacterial

>  <Form> (304)
sodium salt

>  <CAS> (304)
982-57-0

>  <URL> (304)
http://selleckchem.com/products/chloramphenicol-sodium-succinate.html

$$$$
S5440 Berberine Sulfate.cdx
csChFnd80/08212509252D

 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> (305)
3128

>  <Formula> (305)
C20H19NO8S

>  <MolWeight> (305)
433.43176

>  <Cat> (305)
S5440

>  <Name> (305)
Berberine Sulfate

>  <Synonyms> (305)
Umbellatine Sulfate

>  <Target> (305)
Bacterial

>  <Form> (305)
sulfate

>  <CAS> (305)
633-66-9

>  <URL> (305)
http://selleckchem.com/products/berberine-sulfate.html

$$$$
S5473 Pivmecillinam hydrochloride.cdx
csChFnd80/08212509252D

 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> (306)
3151

>  <Formula> (306)
C21H34ClN3O5S

>  <MolWeight> (306)
476.02976

>  <Cat> (306)
S5473

>  <Name> (306)
Pivmecillinam hydrochloride

>  <Synonyms> (306)
N/A

>  <Target> (306)
Antibiotics,Bacterial

>  <Form> (306)
hydrochloride

>  <CAS> (306)
32887-03-9

>  <URL> (306)
http://selleckchem.com/products/pivmecillinam-hydrochloride.html

$$$$
S5541 Dimetridazole.cdx
csChFnd80/08212509252D

 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> (307)
3168

>  <Formula> (307)
C5H7N3O2

>  <MolWeight> (307)
141.12798

>  <Cat> (307)
S5541

>  <Name> (307)
Dimetridazole

>  <Synonyms> (307)
N/A

>  <Target> (307)
Antineoplastic and Immunosuppressive Antibiotics,Fungal

>  <Form> (307)
free base

>  <CAS> (307)
551-92-8

>  <URL> (307)
http://selleckchem.com/products/dimetridazole.html

$$$$
S5553 Kasugamycin hydrochloride.cdx
csChFnd80/08212509252D

 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
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M  END
>  <Mol_ID> (308)
3174

>  <Formula> (308)
C14H26ClN3O9

>  <MolWeight> (308)
415.82394

>  <Cat> (308)
S5553

>  <Name> (308)
Kasugamycin hydrochloride

>  <Synonyms> (308)
N/A

>  <Target> (308)
Antineoplastic and Immunosuppressive Antibiotics,Fungal,Selection Antibiotics for Transfected Cell

>  <Form> (308)
hydrochloride

>  <CAS> (308)
19408-46-9

>  <URL> (308)
http://selleckchem.com/products/kasugamycin-hydrochloride.html

$$$$
S5573 Tilmicosin phosphate.cdx
csChFnd80/08212509252D

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>  <Mol_ID> (309)
3184

>  <Formula> (309)
C46H83N2O17P

>  <MolWeight> (309)
967.128181

>  <Cat> (309)
S5573

>  <Name> (309)
Tilmicosin phosphate

>  <Synonyms> (309)
N/A

>  <Target> (309)
Antibiotics

>  <Form> (309)
phosphate

>  <CAS> (309)
137330-13-3

>  <URL> (309)
http://selleckchem.com/products/tilmicosin-phosphate.html

$$$$
S3966 Nifuratel.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (310)
3207

>  <Formula> (310)
C10H11N3O5S

>  <MolWeight> (310)
285.27644

>  <Cat> (310)
S3966

>  <Name> (310)
Nifuratel

>  <Synonyms> (310)
N/A

>  <Target> (310)
Fungal

>  <Form> (310)
free base

>  <CAS> (310)
4936-47-4

>  <URL> (310)
https://www.selleckchem.com/products/nifuratel.html

$$$$
S5351 Cefmetazole sodium.cdx
csChFnd80/08212509252D

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  2 31  1  6  0  0  0
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  5 10  1  0  0  0  0
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 27 30  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (311)
3218

>  <Formula> (311)
C15H16N7NaO5S3

>  <MolWeight> (311)
493.51621

>  <Cat> (311)
S5351

>  <Name> (311)
Cefmetazole sodium

>  <Synonyms> (311)
Sodium cefmetazole

>  <Target> (311)
Antibiotics

>  <Form> (311)
sodium salt

>  <CAS> (311)
56796-39-5

>  <URL> (311)
https://www.selleckchem.com/products/cefmetazole-sodium.html

$$$$
S5352 Cefminox Sodium.cdx
csChFnd80/08212509252D

 35 36  0  0  0  0  0  0  0  0999 V2000
    9.8057   12.6414    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.2289    9.8268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4072   10.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6387    9.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6700    8.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2367    8.4219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8318    8.3858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3 10  1  0  0  0  0
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  7 35  1  1  0  0  0
M  END
>  <Mol_ID> (312)
3219

>  <Formula> (312)
C16H20N7NaO7S3

>  <MolWeight> (312)
541.55747

>  <Cat> (312)
S5352

>  <Name> (312)
Cefminox Sodium

>  <Synonyms> (312)
Meicelin, MT-141

>  <Target> (312)
Bacterial

>  <Form> (312)
sodium salt

>  <CAS> (312)
75498-96-3

>  <URL> (312)
http://selleckchem.com/products/cefminox-sodium.html

$$$$
S5356 Ceftiofur.cdx
csChFnd80/08212509252D

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.8548    2.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8519    4.1944    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0702    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4569    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4499    4.1915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0614    4.8959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2851    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0730    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    1.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4550    5.1723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2713    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671    0.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2920    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1041    4.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7105    2.8118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    5.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7583    3.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9216    2.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7558    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    7.1314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1340    2.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9244    0.7175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    6.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2770    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925    5.4928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8693    4.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1481    8.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3483    3.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6458    4.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0471    0.0000 N   0  0  0  0  0  0  0  0  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 20  1  0  0  0  0
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 20 24  2  0  0  0  0
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 25 30  2  0  0  0  0
 26 31  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
 32 33  2  0  0  0  0
  2 35  1  6  0  0  0
M  END
>  <Mol_ID> (313)
3220

>  <Formula> (313)
C19H17N5O7S3

>  <MolWeight> (313)
523.56258

>  <Cat> (313)
S5356

>  <Name> (313)
Ceftiofur

>  <Synonyms> (313)
N/A

>  <Target> (313)
Bacterial

>  <Form> (313)
free base

>  <CAS> (313)
80370-57-6

>  <URL> (313)
http://selleckchem.com/products/ceftiofur.html

$$$$
S5411 Sultamicillin.cdx
csChFnd80/08212509252D

 42 46  0  0  0  0  0  0  0  0999 V2000
    8.2742    3.5768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7672    3.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1445    5.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.3794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5787    0.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    1.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9759    3.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    5.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1902    3.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.5918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9000    5.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    0.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1097    3.5850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9739    1.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0445    2.5404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1612    4.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3305    1.3306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.8265    0.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5739    1.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0888    3.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.1311    1.6576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 15  1  0  0  0  0
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 17 20  1  1  0  0  0
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 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
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 30 35  1  0  0  0  0
 30 36  1  0  0  0  0
 32 37  1  0  0  0  0
 32 34  1  0  0  0  0
 32 42  1  6  0  0  0
 33 38  2  0  0  0  0
 33 37  1  0  0  0  0
 34 39  2  0  0  0  0
 34 40  2  0  0  0  0
M  END
>  <Mol_ID> (314)
3231

>  <Formula> (314)
C25H30N4O9S2

>  <MolWeight> (314)
594.6571

>  <Cat> (314)
S5411

>  <Name> (314)
Sultamicillin

>  <Synonyms> (314)
N/A

>  <Target> (314)
¦Â-lactamase

>  <Form> (314)
free base

>  <CAS> (314)
76497-13-7

>  <URL> (314)
http://selleckchem.com/products/sultamicillin.html

$$$$
S5560 Midecamycin.cdx
csChFnd80/08212509252D

 57 59  0  0  0  0  0  0  0  0999 V2000
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    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
    6.0611   11.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0476   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7048   10.5129    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4993    8.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    5.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    5.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246   11.9169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6367   14.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598   13.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9240    9.8144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7048   11.9169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7048    7.7117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4246    6.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    4.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2528    4.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284    4.9037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246   10.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122   12.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9240    8.4104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1360   10.5129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7048    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.6024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2393    3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    9.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360    7.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3484    9.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360   11.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360    6.3147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    7.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9240    5.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3484    5.6024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9240    4.2052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3484    4.2052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1360    3.5067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5200    4.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2185    2.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5606    3.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360    2.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9240    1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7048    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9240    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    1.4040    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  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  9  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5 11  1  1  0  0  0
  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
  9 16  1  0  0  0  0
 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
 15 23  1  6  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  2  0  0  0  0
 18 27  1  0  0  0  0
 18 28  2  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  6  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
 27 35  1  0  0  0  0
 29 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
 36 42  1  0  0  0  0
 43 37  1  6  0  0  0
 40 44  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 47 50  1  0  0  0  0
 47 51  1  6  0  0  0
 48 52  1  1  0  0  0
 48 49  1  0  0  0  0
 49 53  1  6  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  2  0  0  0  0
 55 57  1  0  0  0  0
M  END
>  <Mol_ID> (315)
3248

>  <Formula> (315)
C41H67NO15

>  <MolWeight> (315)
813.96838

>  <Cat> (315)
S5560

>  <Name> (315)
Midecamycin

>  <Synonyms> (315)
Espinomycin A, Medecamycin A1, Platenomycin B1, Rubimycin, Turimycin P3

>  <Target> (315)
Antibiotics,Bacterial

>  <Form> (315)
free base

>  <CAS> (315)
35457-80-8

>  <URL> (315)
http://selleckchem.com/products/midecamycin.html

$$$$
S5621 Cilastatin.cdx
csChFnd80/08212509252D

 24 24  0  0  0  0  0  0  0  0999 V2000
   11.2000    6.0623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2000    7.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4123    6.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6787    8.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8212    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.4871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0623    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  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 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
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (316)
3250

>  <Formula> (316)
C16H26N2O5S

>  <MolWeight> (316)
358.45304

>  <Cat> (316)
S5621

>  <Name> (316)
Cilastatin

>  <Synonyms> (316)
MK0791

>  <Target> (316)
Others

>  <Form> (316)
free base

>  <CAS> (316)
82009-34-5

>  <URL> (316)
http://selleckchem.com/products/cilastatin.html

$$$$
S5623 Bedaquiline.cdx
csChFnd80/08212509252D

 37 41  0  0  0  0  0  0  0  0999 V2000
    1.2110    4.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    2.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    5.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    3.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    2.8393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    3.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    4.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2790    5.6407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7686    4.5973    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4377    7.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7120    8.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8345    9.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6860   10.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4124    9.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2943    8.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0538    5.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6979    7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6885    8.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0394    7.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4197    5.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4005    6.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7502    6.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1101    4.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1236    3.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7821    4.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9010    3.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8127    3.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5300    2.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5745    1.3693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9017    1.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6493    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2793    2.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2793    1.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  5  4  2  0  0  0  0
 10  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 19  1  0  0  0  0
 12 29  1  1  0  0  0
 12 30  1  0  0  0  0
 18 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 23 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 28 23  2  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 28  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
 32 34  1  0  0  0  0
  8 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (317)
3252

>  <Formula> (317)
C32H31BrN2O2

>  <MolWeight> (317)
555.50474

>  <Cat> (317)
S5623

>  <Name> (317)
Bedaquiline

>  <Synonyms> (317)
TMC-207, R207910

>  <Target> (317)
ATPase

>  <Form> (317)
free base

>  <CAS> (317)
843663-66-1

>  <URL> (317)
https://www.selleckchem.com/products/bedaquiline.html

$$$$
S5353 Cefpiramide sodium.cdx
csChFnd80/08212509252D

 44 47  0  0  0  0  0  0  0  0999 V2000
   12.2990    2.9162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2990    4.3627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5059    2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8755    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8755    4.3627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5059    5.0975    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7511    2.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5059    0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.0975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7511    4.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9580    2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7046    0.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3144    0.1393    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3849    4.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1026    2.9162    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2323    5.0744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3849    2.9162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3464    2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2323    6.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    4.3473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4856    0.8689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4971    2.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4314    7.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643    7.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882    5.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8906    0.5790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5467    1.8157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4314    8.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643    8.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582    4.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882    6.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557    9.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    5.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557   10.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911    4.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    6.4744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    2.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0074    0.1693    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.9209    5.7107    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  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  6  0  0  0
 17 21  1  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
 26 33  2  0  0  0  0
 27 29  2  0  0  0  0
 30 34  2  0  0  0  0
 31 34  1  0  0  0  0
 32 35  2  0  0  0  0
 32 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  2  0  0  0  0
 38 41  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
  2 44  1  6  0  0  0
M  END
>  <Mol_ID> (318)
3254

>  <Formula> (318)
C25H23N8NaO7S2

>  <MolWeight> (318)
634.61929

>  <Cat> (318)
S5353

>  <Name> (318)
Cefpiramide sodium

>  <Synonyms> (318)
SM-1652, wy-44635

>  <Target> (318)
Antibiotics,Bacterial

>  <Form> (318)
Cephalosporin 

>  <CAS> (318)
74849-93-7

>  <URL> (318)
http://selleckchem.com/products/cefpiramide-sodium.html

$$$$
S5065 Ganciclovir sodium.cdx
csChFnd80/08212509252D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5900    5.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    7.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    5.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    5.0430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    7.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    7.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6876    6.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3844    3.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    7.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    9.1865    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.7576    3.7040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2081    2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2854    1.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7359    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0318    0.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929    9.1351    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
  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  7  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 12 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> (319)
3256

>  <Formula> (319)
C9H12N5NaO4

>  <MolWeight> (319)
277.21245

>  <Cat> (319)
S5065

>  <Name> (319)
Ganciclovir sodium

>  <Synonyms> (319)
RS-21592 sodium, Cytovene IV sodium, BW 759 sodium, 2'-Nor-2'-deoxyguanosine sodium

>  <Target> (319)
CMV

>  <Form> (319)
Nucleoside 

>  <CAS> (319)
107910-75-8

>  <URL> (319)
https://www.selleckchem.com/products/ganciclovir-sodium.html

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/08212509252D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    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    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
    3.6373    5.6000    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
    0.0000    3.5000    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
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    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
    8.4871    5.6000    0.0000 N   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
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7430    3.8938    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
  2  7  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 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 17  1  0  0  0  0
 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 17 22  2  0  0  0  0
 13 23  1  0  0  0  0
 18 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 18  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (320)
3260

>  <Formula> (320)
C21H20ClF2N3O3

>  <MolWeight> (320)
435.8516064

>  <Cat> (320)
S5041

>  <Name> (320)
Difloxacin hydrochloride

>  <Synonyms> (320)
N/A

>  <Target> (320)
Antibiotics

>  <Form> (320)
hydrochloride

>  <CAS> (320)
91296-86-5

>  <URL> (320)
http://selleckchem.com/products/difloxacin-hydrochloride.html

$$$$
S5531 Doripenem.cdx
csChFnd80/08212509252D

 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
    4.1569    4.2211    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4891    2.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    2.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    4.2211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4891    4.5861    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2576    3.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9759    1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652    2.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938    4.8871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0463    5.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799    3.5740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3722    0.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0921    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938    6.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8966    2.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0751    3.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3643    1.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1578    2.8823    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6901    1.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4195    3.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6302    2.8823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8472    3.5740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0385    2.8823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9056    4.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8335    4.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    5.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 28  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  0  0  0  0
  5 29  1  1  0  0  0
  6 11  1  1  0  0  0
  6  7  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
 10 16  1  1  0  0  0
 17 12  1  1  0  0  0
 17 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
 20 22  1  1  0  0  0
 20 21  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
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (321)
3327

>  <Formula> (321)
C15H24N4O6S2

>  <MolWeight> (321)
420.50426

>  <Cat> (321)
S5531

>  <Name> (321)
Doripenem

>  <Synonyms> (321)
S 4661

>  <Target> (321)
Antibiotics

>  <Form> (321)
free base

>  <CAS> (321)
148016-81-3

>  <URL> (321)
https://www.selleckchem.com/products/doripenem.html

$$$$
S5278 Tedizolid.cdx
csChFnd80/08212509252D

 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
    1.2790    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.5660    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6660    0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0660    2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8660    0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2660    0.3105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9660    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  6  0  0  0
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  6  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 13  8  2  0  0  0  0
 11 14  1  0  0  0  0
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 17 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 13 12  1  0  0  0  0
 10 11  1  0  0  0  0
  9  8  1  0  0  0  0
  6 25  2  0  0  0  0
 22 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
>  <Mol_ID> (322)
3331

>  <Formula> (322)
C17H15FN6O3

>  <MolWeight> (322)
370.3378032

>  <Cat> (322)
S5278

>  <Name> (322)
Tedizolid (TR-700)

>  <Target> (322)
Antibiotics,Bacterial

>  <Form> (322)
Oxazolidinone

>  <CAS> (322)
856866-72-3

>  <URL> (322)
https://www.selleckchem.com/products/tedizolid.html

$$$$
S5535 Moxifloxacin.cdx
csChFnd80/08212509252D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.5282    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8655    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    7.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    7.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.6958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 N   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
    0.7000    0.0000    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
    1.5306    3.7038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    0.0798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 18  1  0  0  0  0
  4  1  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3 30  1  0  0  0  0
  3  6  2  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
 10  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  2  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
 20 23  1  0  0  0  0
 22 21  1  0  0  0  0
 22 29  1  1  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (323)
3335

>  <Formula> (323)
C21H24FN3O4

>  <MolWeight> (323)
401.4313632

>  <Cat> (323)
S5535

>  <Name> (323)
Moxifloxacin

>  <Synonyms> (323)
BAY12-8039

>  <Target> (323)
Antibiotics,Bacterial

>  <Form> (323)
free base

>  <CAS> (323)
151096-09-2

>  <URL> (323)
https://www.selleckchem.com/products/moxifloxacin.html

$$$$
S5054 Rifamycin sodium salt.cdx
csChFnd80/08212509252D

 51 53  0  0  0  0  0  0  0  0999 V2000
    5.2113    6.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802    6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4020    6.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5123    8.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656    4.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    6.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    6.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3874    4.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9015    8.2635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5862    9.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7396    3.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1820    3.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327    6.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7834    8.1478    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2938    4.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6260    9.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1761    9.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181    4.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293    2.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2066    2.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0109    9.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768    3.9853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2114    7.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073    2.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6013    7.5286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6314    1.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8071    6.1387    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6100    8.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491    1.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0601    5.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0444    9.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    2.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0094    3.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8164    5.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 34  1  0  0  0  0
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 35 38  2  0  0  0  0
 36 39  1  0  0  0  0
 36 40  1  6  0  0  0
 37 41  1  0  0  0  0
 37 42  2  0  0  0  0
 38 43  1  0  0  0  0
 39 44  1  0  0  0  0
 39 45  1  1  0  0  0
 41 46  1  0  0  0  0
 43 47  1  0  0  0  0
 43 48  1  6  0  0  0
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 44 47  1  0  0  0  0
 47 50  1  1  0  0  0
M  END
>  <Mol_ID> (324)
3342

>  <Formula> (324)
C37H46NNaO12

>  <MolWeight> (324)
719.75041

>  <Cat> (324)
S5054

>  <Name> (324)
Rifamycin sodium salt

>  <Target> (324)
Antineoplastic and Immunosuppressive Antibiotics,Bacterial

>  <Form> (324)
Rifamycins

>  <CAS> (324)
14897-39-3

>  <URL> (324)
https://www.selleckchem.com/products/rifamycin-sodium-salt.html

$$$$
S5491 Lomefloxacin.cdx
csChFnd80/08212509252D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2452    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6620    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    0.6718    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6620    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    6.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6251    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8703    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    4.9251    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  4 10  1  0  0  0  0
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  6 13  2  0  0  0  0
  7 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
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 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 16 20  1  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (325)
3346

>  <Formula> (325)
C17H19F2N3O3

>  <MolWeight> (325)
351.3478664

>  <Cat> (325)
S5491

>  <Name> (325)
Lomefloxacin

>  <Synonyms> (325)
SC47111A

>  <Target> (325)
Antibiotics,Bacterial

>  <Form> (325)
free base

>  <CAS> (325)
98079-51-7

>  <URL> (325)
https://www.selleckchem.com/products/lomefloxacin.html

$$$$
S5700 Phthalylsulfathiazole.cdx
csChFnd80/08212509252D

 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
   10.7017    4.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1343    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000    1.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7048    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3483    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3527    7.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9401    6.8592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0641    4.9121    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6873    4.6199    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
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (326)
3351

>  <Formula> (326)
C17H13N3O5S2

>  <MolWeight> (326)
403.43222

>  <Cat> (326)
S5700

>  <Name> (326)
Phthalylsulfathiazole

>  <Synonyms> (326)
Sulfathalidine

>  <Target> (326)
Anti-infection

>  <Form> (326)
free base

>  <CAS> (326)
85-73-4

>  <URL> (326)
https://www.selleckchem.com/products/phthalylsulfathiazole.html

$$$$
S5397 Chlorhexidine.cdx
csChFnd80/08212509252D

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
    6.0622    4.2000    0.0000 N   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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    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
   10.9119    2.8000    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
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    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
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 N   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
   20.6114    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    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
  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
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 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  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  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (327)
3357

>  <Formula> (327)
C22H30Cl2N10

>  <MolWeight> (327)
505.4466

>  <Cat> (327)
S5397

>  <Name> (327)
Chlorhexidine

>  <Target> (327)
Anti-infection

>  <Form> (327)
free base

>  <CAS> (327)
55-56-1

>  <URL> (327)
https://www.selleckchem.com/products/chlorhexidine.html

$$$$
S5487 Cefoperazone sodium.cdx
csChFnd80/08212509252D

 46 49  0  0  0  0  0  0  0  0999 V2000
   18.1147    9.4375    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.8343    7.2988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1873    7.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1772    6.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8246    5.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4690    4.9548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792    5.9447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1249    6.2999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4800    7.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5469    9.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5570   10.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8992    9.3831    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.7800    8.8664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5322    7.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5221    6.0562    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.9578    5.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1358    6.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7806    7.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3761    7.7255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8744    6.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8845    4.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    5.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7001    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7001    7.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    5.5999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4876    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7001    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7001    2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959    1.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434    8.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    7.7015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    5.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434    9.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0684    8.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    8.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792    4.7322    0.0000 H   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  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
  9 13  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 20  1  0  0  0  0
 14 15  1  0  0  0  0
  4 14  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  1  0  0  0  0
 25 26  1  1  0  0  0
 34 35  2  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 41  1  0  0  0  0
 36 41  1  0  0  0  0
 38 42  2  0  0  0  0
 37 43  2  0  0  0  0
 44 45  1  0  0  0  0
 39 44  1  0  0  0  0
 34 36  1  0  0  0  0
 33 34  1  0  0  0  0
 25 33  1  0  0  0  0
 22 23  1  0  0  0  0
  8 22  1  6  0  0  0
  7 46  1  1  0  0  0
M  END
>  <Mol_ID> (328)
3365

>  <Formula> (328)
C25H26N9NaO8S2

>  <MolWeight> (328)
667.64921

>  <Cat> (328)
S5487

>  <Name> (328)
Cefoperazone sodium

>  <Synonyms> (328)
CP 52640-2

>  <Target> (328)
Antibiotics,Bacterial

>  <Form> (328)
free base

>  <CAS> (328)
62893-20-3

>  <URL> (328)
https://www.selleckchem.com/products/cefoperazone-sodium.html

$$$$
S3623 Ceftibuten (dihydrate).cdx
csChFnd80/08212509252D

 29 29  0  0  0  0  0  0  0  0999 V2000
    5.9041    3.0672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498    3.4231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2536    4.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2664    1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8983    4.7696    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5677    2.4298    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4660    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2870    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6187    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1983    5.9820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9301    1.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    2.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9810    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8992    7.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    8.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    9.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3013    9.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3342   10.8912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    7.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5849   11.1354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3723   11.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177   13.2240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    5.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7697   12.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3697   12.6991    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  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  6  0  0  0
  6 11  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  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  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (329)
3367

>  <Formula> (329)
C15H18N4O8S2

>  <MolWeight> (329)
446.45542

>  <Cat> (329)
S3623

>  <Name> (329)
Ceftibuten dihydrate

>  <Synonyms> (329)
Sch-39720 dihydrate

>  <Target> (329)
Bacterial

>  <Form> (329)
Dihydrate salt

>  <CAS> (329)
118081-34-8

>  <URL> (329)
https://www.selleckchem.com/products/ceftibuten-dihydrate.html

$$$$
S5546 Sulfacetamide.cdx
csChFnd80/08212509252D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.3979    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979    5.6038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852    3.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979    7.0038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5940    7.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7801    7.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5940    9.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    0.0000    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
  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
M  END
>  <Mol_ID> (330)
3369

>  <Formula> (330)
C8H10N2O3S

>  <MolWeight> (330)
214.2416

>  <Cat> (330)
S5546

>  <Name> (330)
Sulfacetamide

>  <Synonyms> (330)
Acetosulfamine

>  <Target> (330)
Bacterial

>  <Form> (330)
free base

>  <CAS> (330)
144-80-9

>  <URL> (330)
https://www.selleckchem.com/products/sulfacetamide.html

$$$$
S5637 Cefotiam Hexetil Hydrochloride.cdx
csChFnd80/08212509252D

 49 51  0  0  0  0  0  0  0  0999 V2000
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   13.8055    7.0059    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8037    9.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  2  0  0  0  0
 27 34  2  0  0  0  0
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 29 31  2  0  0  0  0
 30 36  1  0  0  0  0
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 34 35  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  0  0  0  0
 39 42  1  0  0  0  0
 39 43  1  0  0  0  0
 40 44  1  0  0  0  0
 41 45  1  0  0  0  0
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 45 46  1  0  0  0  0
  2 49  1  6  0  0  0
M  END
>  <Mol_ID> (331)
3382

>  <Formula> (331)
C27H39Cl2N9O7S3

>  <MolWeight> (331)
768.75566

>  <Cat> (331)
S5637

>  <Name> (331)
Cefotiam Hexetil Hydrochloride

>  <Target> (331)
Antibiotics,Bacterial

>  <Form> (331)
free base

>  <CAS> (331)
95789-30-3

>  <URL> (331)
https://www.selleckchem.com/products/cefotiam-hexetil-hydrochloride.html

$$$$
S5638 Cefozopran hydrochloride.cdx
csChFnd80/08212509252D

 37 40  0  0  0  0  0  0  0  0999 V2000
    4.1127    2.7993    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7558    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.2697    4.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4468   10.1804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    8.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8842    7.5324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1124    6.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3176    7.5496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (332)
3383

>  <Formula> (332)
C19H18ClN9O5S2

>  <MolWeight> (332)
551.98652

>  <Cat> (332)
S5638

>  <Name> (332)
Cefozopran hydrochloride

>  <Target> (332)
Bacterial

>  <Form> (332)
free base

>  <CAS> (332)
113981-44-5

>  <URL> (332)
https://www.selleckchem.com/products/cefozopran-hydrochloride.html

$$$$
S5657 Ertapenem sodium.cdx
csChFnd80/08212509252D

 36 38  0  0  0  0  0  0  0  0999 V2000
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   10.6644    6.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  3  2  0  0  0  0
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 10  4  1  0  0  0  0
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 19  6  1  0  0  0  0
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 20  8  1  0  0  0  0
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M  END
>  <Mol_ID> (333)
3415

>  <Formula> (333)
C22H24N3NaO7S

>  <MolWeight> (333)
497.49663

>  <Cat> (333)
S5657

>  <Name> (333)
Ertapenem sodium

>  <Synonyms> (333)
MK826

>  <Target> (333)
Antibiotics

>  <Form> (333)
sodium salt

>  <CAS> (333)
153773-82-1

>  <URL> (333)
http://selleckchem.com/products/ertapenem-sodium.html

$$$$

csChFnd80/08212509252D

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 10  5  1  0  0  0  0
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>  <Mol_ID> (334)
3431

>  <Formula> (334)
C21H20FN3O6S

>  <MolWeight> (334)
461.4634032

>  <Cat> (334)
S2071

>  <Name> (334)
Prulifloxacin (NM441)

>  <Synonyms> (334)
AF 3013

>  <Target> (334)
COVID-19

>  <Form> (334)
Free Base

>  <CAS> (334)
123447-62-1

>  <URL> (334)
http://www.selleckchem.com/products/prulifloxacin-pruvel.html

$$$$

csChFnd80/08212509252D

 49 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (335)
3441

>  <Formula> (335)
C29H27ClN2O14S

>  <MolWeight> (335)
695.04768

>  <Cat> (335)
S4331

>  <Name> (335)
Meclocycline Sulfosalicylate

>  <Synonyms> (335)
N/A

>  <Target> (335)
Others

>  <Form> (335)
sulfosalicylate

>  <CAS> (335)
73816-42-9

>  <URL> (335)
http://www.selleckchem.com/products/meclocycline-sulfosalicylate.html

$$$$

csChFnd80/08212509252D

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M  END
>  <Mol_ID> (336)
3445

>  <Formula> (336)
C72H85N19O18S5

>  <MolWeight> (336)
1664.8868

>  <Cat> (336)
S4354

>  <Name> (336)
Thiostrepton

>  <Synonyms> (336)
Alaninamide, Bryamycin, Thiactin

>  <Target> (336)
Others

>  <Form> (336)
Free Base

>  <CAS> (336)
1393-48-2

>  <URL> (336)
http://www.selleckchem.com/products/thiostrepton.html

$$$$

csChFnd80/08212509252D

 11 12  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
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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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    1.2124    1.4000    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> (337)
3455

>  <Formula> (337)
C9H7NO

>  <MolWeight> (337)
145.15798

>  <Cat> (337)
S4547

>  <Name> (337)
8-Hydroxyquinoline

>  <Synonyms> (337)
8-Oxychinolin, 8-Quinolinol, Oxine

>  <Target> (337)
Bacterial

>  <Form> (337)
Free Base

>  <CAS> (337)
148-24-3

>  <URL> (337)
http://www.selleckchem.com/products/8-hydroxyquinoline.html

$$$$

csChFnd80/08212509252D

 56 58  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (338)
3467

>  <Formula> (338)
C40H76N2O12

>  <MolWeight> (338)
777.03764

>  <Cat> (338)
S5328

>  <Name> (338)
Gamithromycin

>  <Synonyms> (338)
ML-1709460

>  <Target> (338)
Antibiotics

>  <Form> (338)
Free Base

>  <CAS> (338)
145435-72-9

>  <URL> (338)
http://www.selleckchem.com/products/gamithromycin.html

$$$$

csChFnd80/08212509252D

 53 57  0  0  0  0  0  0  0  0999 V2000
   12.7774   11.6041    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (339)
3468

>  <Formula> (339)
C32H38N4O12S3

>  <MolWeight> (339)
766.85872

>  <Cat> (339)
S5406

>  <Name> (339)
Sultamicillin Tosylate

>  <Synonyms> (339)
N/A

>  <Target> (339)
Bacterial

>  <Form> (339)
Tosylate

>  <CAS> (339)
83105-70-8

>  <URL> (339)
http://www.selleckchem.com/products/sultamicillin-tosylate.html

$$$$

csChFnd80/08212509252D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (340)
3496

>  <Formula> (340)
C13H12N5NaO5S2

>  <MolWeight> (340)
405.38465

>  <Cat> (340)
S5719

>  <Name> (340)
Ceftizoxime sodium

>  <Synonyms> (340)
SKF-88373

>  <Target> (340)
Antibiotics

>  <Form> (340)
Sodium Salt

>  <CAS> (340)
68401-82-1

>  <URL> (340)
http://www.selleckchem.com/products/ceftizoxime-sodium.html

$$$$

csChFnd80/08212509252D

 66 71  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
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 43 44  1  0  0  0  0
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 44 66  1  6  0  0  0
 44 47  1  0  0  0  0
 44 48  1  0  0  0  0
 45 47  1  0  0  0  0
 45 49  2  0  0  0  0
 46 50  1  0  0  0  0
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 48 50  1  0  0  0  0
 50 53  1  0  0  0  0
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 51 55  1  0  0  0  0
 51 56  2  0  0  0  0
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 57 59  2  0  0  0  0
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 61 63  2  0  0  0  0
 62 64  1  0  0  0  0
 63 65  1  0  0  0  0
 64 65  2  0  0  0  0
M  END
>  <Mol_ID> (341)
3503

>  <Formula> (341)
C48H56N6O8S2

>  <MolWeight> (341)
909.12364

>  <Cat> (341)
S5736

>  <Name> (341)
Benzathine penicilline

>  <Synonyms> (341)
Benzathine penicillin G

>  <Target> (341)
Antibiotics,Bacterial

>  <Form> (341)
Free Base

>  <CAS> (341)
1538-09-6

>  <URL> (341)
http://www.selleckchem.com/products/benzathine-penicilline.html

$$$$

csChFnd80/08212509252D

 62 65  0  0  0  0  0  0  0  0999 V2000
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    2.9083   14.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5308   15.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8392   17.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626   17.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2188    4.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7928    4.6538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 17 30  1  6  0  0  0
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 17 20  1  0  0  0  0
 12 13  1  0  0  0  0
 46 51  1  0  0  0  0
 47 48  1  0  0  0  0
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 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 46 52  1  6  0  0  0
 18 19  2  0  0  0  0
 50 53  1  1  0  0  0
 50 54  1  6  0  0  0
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 27 19  1  0  0  0  0
 48 56  1  6  0  0  0
 22 57  1  6  0  0  0
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 59 60  2  0  0  0  0
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 34 62  1  6  0  0  0
M  END
>  <Mol_ID> (342)
3510

>  <Formula> (342)
C43H74N2O14

>  <MolWeight> (342)
843.05266

>  <Cat> (342)
S5744

>  <Name> (342)
Spiramycin I

>  <Synonyms> (342)
Foromacidin A

>  <Target> (342)
Antibiotics

>  <Form> (342)
Free Base

>  <CAS> (342)
24916-50-5

>  <URL> (342)
http://www.selleckchem.com/products/spiramycin-i.html

$$$$

csChFnd80/08212509252D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1449    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
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  4  5  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (343)
3524

>  <Formula> (343)
C6H8O7

>  <MolWeight> (343)
192.12352

>  <Cat> (343)
S5761

>  <Name> (343)
Citric acid

>  <Synonyms> (343)
N/A

>  <Target> (343)
Others

>  <Form> (343)
Free Base

>  <CAS> (343)
77-92-9

>  <URL> (343)
http://www.selleckchem.com/products/citric-acid.html

$$$$

csChFnd80/08212509252D

102111  0  0  0  0  0  0  0  0999 V2000
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   17.7001   24.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3591    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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 82 88  1  6  0  0  0
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M  END
>  <Mol_ID> (344)
3544

>  <Formula> (344)
C66H75Cl2N9O24

>  <MolWeight> (344)
1449.2536

>  <Cat> (344)
S5784

>  <Name> (344)
Vancomycin

>  <Synonyms> (344)
N/A

>  <Target> (344)
Antibiotics,Antibiotics for Plant Cell Culture,Bacterial

>  <Form> (344)
Free Base

>  <CAS> (344)
1404-90-6

>  <URL> (344)
http://www.selleckchem.com/products/vancomycin.html

$$$$

csChFnd80/08212509252D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    8.4892    2.1008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0501    2.1008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4892    4.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6927    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8495    2.7959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0501    0.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4892    6.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9051    2.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  1  0  0  0
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  8 14  2  0  0  0  0
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 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
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M  END
>  <Mol_ID> (345)
3671

>  <Formula> (345)
C22H26N2O9

>  <MolWeight> (345)
462.44984

>  <Cat> (345)
S6068

>  <Name> (345)
Doxycycline monohydrate

>  <Synonyms> (345)
N/A

>  <Target> (345)
Antibiotics

>  <Form> (345)
monohydrate

>  <CAS> (345)
17086-28-1

>  <URL> (345)
http://www.selleck.cn/products/doxycycline-monohydrate.html

$$$$

csChFnd80/08212509252D

  6  5  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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  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
M  END
>  <Mol_ID> (346)
3734

>  <Formula> (346)
C3H6O3

>  <MolWeight> (346)
90.07794

>  <Cat> (346)
S6250

>  <Name> (346)
L-Lactic acid

>  <Synonyms> (346)
N/A

>  <Target> (346)
Others

>  <Form> (346)
free base

>  <CAS> (346)
79-33-4

>  <URL> (346)
http://www.selleck.cn/products/l-lactic-acid.html

$$$$

csChFnd80/08212509252D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (347)
3757

>  <Formula> (347)
C7H12O2

>  <MolWeight> (347)
128.16898

>  <Cat> (347)
S6279

>  <Name> (347)
Cyclohexanecarboxylic Acid

>  <Synonyms> (347)
N/A

>  <Target> (347)
Others

>  <Form> (347)
free base

>  <CAS> (347)
98-89-5

>  <URL> (347)
http://www.selleck.cn/products/cyclohexanecarboxylic-acid.html

$$$$

csChFnd80/08212509252D

 42 41  0  0  0  0  0  0  0  0999 V2000
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   23.0363    4.7807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    5.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (348)
3766

>  <Formula> (348)
C26H38Cl2N10O4

>  <MolWeight> (348)
625.55052

>  <Cat> (348)
S6288

>  <Name> (348)
Chlorhexidine diacetate

>  <Synonyms> (348)
Hibitane diacetate

>  <Target> (348)
Anti-infection

>  <Form> (348)
diacetate

>  <CAS> (348)
56-95-1

>  <URL> (348)
http://www.selleck.cn/products/chlorhexidine-diacetate.html

$$$$

csChFnd80/08212509252D

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M  END
>  <Mol_ID> (349)
3810

>  <Formula> (349)
C16H24N2O4

>  <MolWeight> (349)
308.37276

>  <Cat> (349)
S1591

>  <Name> (349)
Bestatin (NK421)

>  <Synonyms> (349)
Ubenimex,NK421

>  <Target> (349)
Immunology & Inflammation related

>  <Form> (349)
Free Base

>  <CAS> (349)
58970-76-6

>  <URL> (349)
http://www.selleck.cn/products/Ubenimex(Bestatin).html

$$$$

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 87 88  1  0  0  0  0
 88 89  1  0  0  0  0
 89 90  2  0  0  0  0
 90 91  1  0  0  0  0
 91 92  1  0  0  0  0
 92 88  2  0  0  0  0
 21 93  1  6  0  0  0
 93 94  1  0  0  0  0
 94 95  1  0  0  0  0
 95 96  1  0  0  0  0
 25 97  1  1  0  0  0
 97 98  1  0  0  0  0
 97 99  1  0  0  0  0
 98100  1  0  0  0  0
M  END
>  <Mol_ID> (350)
3811

>  <Formula> (350)
C66H101N17O16SZn

>  <MolWeight> (350)
1486.06744

>  <Cat> (350)
S1791

>  <Name> (350)
Bacitracin Zinc

>  <Synonyms> (350)
Zinc Bacitracin

>  <Target> (350)
Antibiotics,Bacterial

>  <Form> (350)
Free Base

>  <CAS> (350)
1405-89-6

>  <URL> (350)
http://www.selleck.cn/products/bacitracin-zinc.html

$$$$

csChFnd80/08212509252D

 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    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   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
    7.2620    2.8000    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
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (351)
3823

>  <Formula> (351)
C13H8Cl2N2O4

>  <MolWeight> (351)
327.11962

>  <Cat> (351)
S3030

>  <Name> (351)
Niclosamide (BAY2353)

>  <Synonyms> (351)
Niclocide, NSC 178296

>  <Target> (351)
Autophagy,STAT

>  <Form> (351)
Free Base

>  <CAS> (351)
50-65-7

>  <URL> (351)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/08212509252D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2656    6.1205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2563    4.7206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0688    6.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6738    6.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6481    4.7031    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0393    4.0287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    6.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688    8.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6637    7.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6380    3.7132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    4.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    6.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    8.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    8.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9889    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    6.1487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9789    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3513    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3312    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6165    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    8.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8415    4.7330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4221    2.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2391    4.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5925    3.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1237    5.7355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6081    3.3655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2642    1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  2  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
 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 30  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 27  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (352)
3827

>  <Formula> (352)
C16H17N5O7S2

>  <MolWeight> (352)
455.46548

>  <Cat> (352)
S4720

>  <Name> (352)
Cefotaxime

>  <Synonyms> (352)
HR-756

>  <Target> (352)
Antibiotics,Antibiotics for Plant Cell Culture,Bacterial

>  <Form> (352)
Free Base

>  <CAS> (352)
63527-52-6

>  <URL> (352)
http://www.selleck.cn/products/cefotaxime.html

$$$$

csChFnd80/08212509252D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   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 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
    8.4870    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  1  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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    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
    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
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   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
    2.4249    2.8000    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  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 31  1  1  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 12  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 32  1  1  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 16 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 25  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (353)
3835

>  <Formula> (353)
C21H22N2O7

>  <MolWeight> (353)
414.40858

>  <Cat> (353)
S5859

>  <Name> (353)
Sancycline

>  <Synonyms> (353)
Bonomycin, Norcycline, GS 2147

>  <Target> (353)
Antibiotics

>  <Form> (353)
Free Base

>  <CAS> (353)
808-26-4

>  <URL> (353)
http://www.selleck.cn/products/sancycline.html

$$$$

csChFnd80/08212509252D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.3552    3.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3552    5.0715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5456    2.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9462    3.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9599    5.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5522    5.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7527    3.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5456    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9563    2.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9699    6.0632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7809    5.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9651    2.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3332    0.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7581    0.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6181    5.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1728    3.6620    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    6.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558    4.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3876    2.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    6.3350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5187    1.5956    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.6836    3.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7743    5.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    7.2142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8724    1.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6178    2.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3831    5.0712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4110    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9931    6.4264    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  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  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 29  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
  2 30  1  6  0  0  0
M  END
>  <Mol_ID> (354)
3841

>  <Formula> (354)
C14H14N8O4S3

>  <MolWeight> (354)
454.50716

>  <Cat> (354)
S5936

>  <Name> (354)
Cefazolin

>  <Synonyms> (354)
Cephazolin

>  <Target> (354)
Antibiotics,Bacterial

>  <Form> (354)
Free Base

>  <CAS> (354)
25953-19-9

>  <URL> (354)
http://www.selleck.cn/products/cefazolin.html

$$$$

csChFnd80/08212509252D

 24 26  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
    3.6373    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
    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 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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 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
   11.6119    5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 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
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 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> (355)
3846

>  <Formula> (355)
C23H27N

>  <MolWeight> (355)
317.46718

>  <Cat> (355)
S5944

>  <Name> (355)
Butenafine

>  <Synonyms> (355)
N/A

>  <Target> (355)
Fungal

>  <Form> (355)
Free Base

>  <CAS> (355)
101828-21-1

>  <URL> (355)
http://www.selleck.cn/products/butenafine.html

$$$$

csChFnd80/08212509252D

 29 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
   12.1329    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0145    2.2658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8142    2.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8923    8.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    8.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2041    2.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251    0.9527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    6.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4741    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    6.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446    8.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5937    3.3758    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  1  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 29  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
  9 14  2  0  0  0  0
 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  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (356)
3849

>  <Formula> (356)
C16H17N3O7S2

>  <MolWeight> (356)
427.45208

>  <Cat> (356)
S5951

>  <Name> (356)
Cefoxitin

>  <Synonyms> (356)
N/A

>  <Target> (356)
Antibiotics,Bacterial

>  <Form> (356)
Free Base

>  <CAS> (356)
35607-66-0

>  <URL> (356)
http://www.selleck.cn/products/cefoxitin.html

$$$$

csChFnd80/08212509252D

 16 15  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
    3.6373    1.4000    0.0000 C   0  0  3  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
    1.2124    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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Cl  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    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    0.8876    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
   11.5402    1.1580    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
  7 11  2  0  0  0  0
  9 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
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (357)
3855

>  <Formula> (357)
C12H19Cl2NO

>  <MolWeight> (357)
264.19136

>  <Cat> (357)
S6407

>  <Name> (357)
Tulobuterol hydrochloride

>  <Synonyms> (357)
N/A

>  <Target> (357)
Androgen Receptor

>  <Form> (357)
hydrochloride

>  <CAS> (357)
56776-01-3

>  <URL> (357)
http://www.selleck.cn/products/tulobuterol-hydrochloride.html

$$$$

csChFnd80/08212509252D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.1556    3.5315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3234    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5555    3.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253    4.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7574    1.0413    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2539    2.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    4.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    0.7516    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6620    2.3219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3682    3.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3693    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7854    3.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7864    1.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4650    2.3352    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  2  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  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 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
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (358)
3859

>  <Formula> (358)
C9H14N4O3

>  <MolWeight> (358)
226.23246

>  <Cat> (358)
S6411

>  <Name> (358)
Nimorazole

>  <Synonyms> (358)
N/A

>  <Target> (358)
Bacterial

>  <Form> (358)
Free Base

>  <CAS> (358)
6506-37-2

>  <URL> (358)
http://www.selleck.cn/products/nimorazole.html

$$$$

csChFnd80/08212509252D

 52 55  0  0  0  0  0  0  0  0999 V2000
   13.9311    4.0459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1436    3.3459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3560    4.0459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9311    5.4459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7788    4.0459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.3560    5.4459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5732    3.3499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1496    1.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7766    3.4562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.1436    6.1459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.2010   10.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5684    1.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 25  1  0  0  0  0
 43 26  1  0  0  0  0
 44 26  1  0  0  0  0
 27 45  1  6  0  0  0
 32 29  1  0  0  0  0
 48 36  1  0  0  0  0
 49 37  1  0  0  0  0
 50 38  1  0  0  0  0
 47 39  1  0  0  0  0
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M  END
>  <Mol_ID> (359)
3870

>  <Formula> (359)
C41H71N3O8

>  <MolWeight> (359)
734.01774

>  <Cat> (359)
S6423

>  <Name> (359)
Tildipirosin

>  <Synonyms> (359)
N/A

>  <Target> (359)
Antibiotics

>  <Form> (359)
Free Base

>  <CAS> (359)
328898-40-4

>  <URL> (359)
http://www.selleck.cn/products/tildipirosin.html

$$$$

csChFnd80/08212509252D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.5947    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4445    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6527    4.1927    0.0000 F   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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 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 18  1  0  0  0  0
 20 22  1  0  0  0  0
 13 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 13  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (360)
3916

>  <Formula> (360)
C18H12ClF3N4O4

>  <MolWeight> (360)
440.7604896

>  <Cat> (360)
S1553

>  <Name> (360)
Delafloxacin (ABT-492)

>  <Synonyms> (360)
RX-3341J, WQ-3034

>  <Target> (360)
Anti-infection

>  <Form> (360)
free base

>  <CAS> (360)
189279-58-1, 339591-82-1 (sodium salt)

>  <URL> (360)
http://www.selleck.cn/products/ABT-492.html

$$$$

csChFnd80/08212509252D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.2100    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5061    2.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6386    4.1922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5692    3.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3540    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    4.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    1.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    1.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    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  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
  1  8  2  0  0  0  0
  1  9  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
 10 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
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
  9 11  1  0  0  0  0
  5 22  1  0  0  0  0
M  END
>  <Mol_ID> (361)
3971

>  <Formula> (361)
C15H9ClFN3O2

>  <MolWeight> (361)
317.7022632

>  <Cat> (361)
S6562

>  <Name> (361)
KKL-35

>  <Synonyms> (361)
N/A

>  <Target> (361)
Antibiotics

>  <Form> (361)
free base

>  <CAS> (361)
865285-29-6

>  <URL> (361)
http://www.selleck.cn/products/kkl-35.html

$$$$
Mizoribine.cdx
csChFnd80/08212509252D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1414    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7891    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9077    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2147    1.8493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2256    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334    2.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3847    1.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5779    3.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3404    4.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4594    6.0252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524    5.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  3  7  1  1  0  0  0
  7  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  6  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14  6  1  0  0  0  0
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 12 16  1  0  0  0  0
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M  END
>  <Mol_ID> (362)
4034

>  <Formula> (362)
C9H13N3O6

>  <MolWeight> (362)
259.21602

>  <Cat> (362)
S1384

>  <Name> (362)
Mizoribine

>  <Synonyms> (362)
Bredinin, NSC 289637,HE 69

>  <Target> (362)
DNA/RNA Synthesis,HCV

>  <Form> (362)
free base

>  <CAS> (362)
50924-49-7

>  <URL> (362)
http://selleckchem.com/products/Mizoribine.html

$$$$
Biapenem.cdx
csChFnd80/08212509252D

 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
    3.4859    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.4088    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8393    3.6240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8797    4.5608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5797    5.7732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    4.4699    3.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3052    0.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (363)
4066

>  <Formula> (363)
C15H18N4O4S

>  <MolWeight> (363)
350.39282

>  <Cat> (363)
S1370

>  <Name> (363)
Biapenem

>  <Synonyms> (363)
L-627, LJC10627

>  <Target> (363)
Antibiotics,Bacterial

>  <Form> (363)
free base

>  <CAS> (363)
120410-24-4

>  <URL> (363)
http://selleckchem.com/products/Biapenem.html

$$$$
Teicoplanin.cdx
csChFnd80/08212509252D

185192  0  0  0  0  0  0  0  0999 V2000
    9.7206   16.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206   14.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373   14.0268    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1539   14.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539   16.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373   16.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3706   14.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872   14.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872   16.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3706   16.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039   16.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873   16.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873   14.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039   14.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7997   16.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163   16.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163   14.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330   14.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496   14.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496   16.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330   16.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330   18.2341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3706   18.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3640   19.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7210   18.8664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7144   19.8598    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3508   21.2168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9938   21.5804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0004   20.5870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6314   22.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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A   35
R
A  185
?R:?
M  END
>  <Mol_ID> (364)
4067

>  <Formula> (364)
C135H190Cl2N9O37R2

>  <MolWeight> (364)
2601.8972

>  <Cat> (364)
S1399

>  <Name> (364)
Teicoplanin

>  <Synonyms> (364)
Teichomycin,Targocid,MDL-507

>  <Target> (364)
Antibiotics,Bacterial

>  <Form> (364)
free base

>  <CAS> (364)
61036-62-2

>  <URL> (364)
http://selleckchem.com/products/Teicoplanin.html

$$$$
Tubercidin.cdx
csChFnd80/08212509252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6831    6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2145    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (365)
4131

>  <Formula> (365)
C11H14N4O4

>  <MolWeight> (365)
266.25326

>  <Cat> (365)
S8095

>  <Name> (365)
Tubercidin

>  <Synonyms> (365)
7-deaza-adenosine

>  <Target> (365)
DNA/RNA Synthesis,Fungal

>  <Form> (365)
free base

>  <CAS> (365)
69-33-0

>  <URL> (365)
http://selleckchem.com/products/tubercidin.html

$$$$
Polymyxin B sulphate.cdx
csChFnd80/08212509252D

 90 90  0  0  0  0  0  0  0  0999 V2000
   24.8282   11.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.8182   12.5355    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   22.4383   10.5556    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.2843   13.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8943   12.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0718   14.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.8594   16.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   31.9504    4.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6081    3.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3127    2.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (366)
4142

>  <Formula> (366)
C56H100N16O17S

>  <MolWeight> (366)
1301.5552

>  <Cat> (366)
S1395

>  <Name> (366)
Polymyxin B sulphate

>  <Synonyms> (366)
Aerosporin, PMB, Poly-RX

>  <Target> (366)
Antibiotics,Antibiotics for Mammalian Cell Culture,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (366)
sulfate

>  <CAS> (366)
1405-20-5, 4135-11-9 (free base)

>  <URL> (366)
http://selleckchem.com/products/Polymyxin-B-sulphate.html

$$$$
S9141 Berbamine.cdx
csChFnd80/08212509252D

 45 51  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (367)
4574

>  <Formula> (367)
C37H40N2O6

>  <MolWeight> (367)
608.7233

>  <Cat> (367)
S9141

>  <Name> (367)
Berbamine

>  <Synonyms> (367)
BA, BBM

>  <Target> (367)
Apoptosis related,Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (367)
free base

>  <CAS> (367)
478-61-5

>  <URL> (367)
https://www.selleckchem.com/products/berbamine.html

$$$$
S9200 Pneumocandin B0.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (368)
4616

>  <Formula> (368)
C50H80N8O17

>  <MolWeight> (368)
1065.2136

>  <Cat> (368)
S9200

>  <Name> (368)
Pneumocandin B0

>  <Synonyms> (368)
L-688786

>  <Target> (368)
Fungal

>  <Form> (368)
free base

>  <CAS> (368)
135575-42-7

>  <URL> (368)
https://www.selleckchem.com/products/pneumocandin-b0.html

$$$$
S9298 Corylin.cdx
csChFnd80/08212509252D

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   12.1215    2.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9111    3.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000    1.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6008    0.0000    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  1 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  2  0  0  0  0
 22 16  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (369)
4688

>  <Formula> (369)
C20H16O4

>  <MolWeight> (369)
320.33864

>  <Cat> (369)
S9298

>  <Name> (369)
Corylin

>  <Target> (369)
Immunology & Inflammation related

>  <Form> (369)
free base

>  <CAS> (369)
53947-92-5

>  <URL> (369)
https://www.selleckchem.com/products/corylin.html

$$$$
S9046 Berberine.cdx
csChFnd80/08212509252D

 25 29  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
    4.8497    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
  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
M  END
>  <Mol_ID> (370)
4713

>  <Formula> (370)
C20H18NO4+

>  <MolWeight> (370)
336.36122

>  <Cat> (370)
S9046

>  <Name> (370)
Berberine

>  <Synonyms> (370)
Umbellatine

>  <Target> (370)
Bacterial

>  <Form> (370)
free base

>  <CAS> (370)
2086-83-1

>  <URL> (370)
https://www.selleckchem.com/products/berberine.html

$$$$
S9372 Ethyl palmitate.cdx
csChFnd80/08212509252D

 20 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    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
    8.4871    0.7000    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
    9.6995    0.0000    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    2.1000    0.0000 O   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    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
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 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
 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
M  END
>  <Mol_ID> (371)
4750

>  <Formula> (371)
C18H36O2

>  <MolWeight> (371)
284.47724

>  <Cat> (371)
S9372

>  <Name> (371)
Ethyl palmitate

>  <Synonyms> (371)
Ethyl hexadecanoate, Palmitic acid ethyl ester

>  <Target> (371)
Others

>  <Form> (371)
free base

>  <CAS> (371)
628-97-7

>  <URL> (371)
https://www.selleckchem.com/products/ethyl-palmitate.html

$$$$

csChFnd80/08212509252D

 13 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    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
    8.4870    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
    9.6995    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
   10.9119    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
   12.1244    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
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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  1  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  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (372)
4777

>  <Formula> (372)
C11H20O2

>  <MolWeight> (372)
184.2753

>  <Cat> (372)
S9452

>  <Name> (372)
10-Undecenoic acid

>  <Synonyms> (372)
N/A

>  <Target> (372)
Others

>  <Form> (372)
Free Base

>  <CAS> (372)
112-38-9

>  <URL> (372)
http://www.selleckchem.com/products/10-undecenoic-acid.html

$$$$

csChFnd80/08212509252D

 53 56  0  0  0  0  0  0  0  0999 V2000
   12.3113    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5109   10.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2765   10.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7437   10.8874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7889   10.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1847    6.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969   10.8940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1847   10.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7113    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3113    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3113    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7435    5.2649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2953    5.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3992    8.7825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    8.7877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5109    7.3657    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5109    8.7863    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2733    6.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0261    7.3713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7435    6.6541    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0261    8.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2765    9.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7837    6.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7437    9.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9772    7.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5370    7.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7889    9.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9767    8.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5370    8.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2953    6.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9655    4.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5406    4.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969    9.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1847    9.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    8.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    9.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    4.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    9.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127    9.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127    7.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9113    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2114    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2113    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8114    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8114    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0132    5.9714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4995    5.9658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  2  0  0  0  0
  1 45  1  0  0  0  0
 17  2  1  1  0  0  0
  3 22  1  0  0  0  0
  4 24  2  0  0  0  0
  5 27  2  0  0  0  0
  6 25  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  2  0  0  0  0
 20 12  1  1  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 30  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 34  1  0  0  0  0
 15 37  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 24  1  0  0  0  0
 19 18  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 23 26  1  0  0  0  0
 24 28  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 29  1  0  0  0  0
 28 34  1  0  0  0  0
 29 33  2  0  0  0  0
 30 36  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 46 49  2  0  0  0  0
 46 50  1  0  0  0  0
 46 51  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  2  0  0  0  0
 19 52  1  1  0  0  0
 16 53  1  1  0  0  0
M  END
>  <Mol_ID> (373)
4869

>  <Formula> (373)
C36H48N4O10S

>  <MolWeight> (373)
728.85212

>  <Cat> (373)
S8871

>  <Name> (373)
Omadacycline tosylate

>  <Synonyms> (373)
PTK 0796 tosylate,Amadacycline tosylate

>  <Target> (373)
Antibiotics,Bacterial

>  <Form> (373)
tosylate

>  <CAS> (373)
1075240-43-5

>  <URL> (373)
http://www.selleck.cn/products/omadacycline-tosylate.html

$$$$

csChFnd80/08212509252D

 58 60  0  0  0  0  0  0  0  0999 V2000
    6.7487    9.8524    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7487    8.4448    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4273   10.5483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9609   10.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (374)
4874

>  <Formula> (374)
C42H69NO15

>  <MolWeight> (374)
827.99496

>  <Cat> (374)
S4421

>  <Name> (374)
Josamycin

>  <Synonyms> (374)
EN-141, Kitasamycin A3, Leucomycin A3, Turimycin A5

>  <Target> (374)
Antibiotics

>  <Form> (374)
Free Base

>  <CAS> (374)
16846-24-5

>  <URL> (374)
http://www.selleck.cn/products/josamycin.html

$$$$

csChFnd80/08212509252D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
4896

>  <Formula> (375)
C21H21N3O3

>  <MolWeight> (375)
363.40974

>  <Cat> (375)
S6582

>  <Name> (375)
Ozenoxacin

>  <Synonyms> (375)
T-3912

>  <Target> (375)
Antibiotics

>  <Form> (375)
Free Base

>  <CAS> (375)
245765-41-7

>  <URL> (375)
http://www.selleck.cn/products/ozenoxacin.html

$$$$

csChFnd80/08212509252D

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>  <Mol_ID> (376)
5180

>  <Formula> (376)
C32H43ClN2O9

>  <MolWeight> (376)
635.14482

>  <Cat> (376)
S2447

>  <Name> (376)
Ansamitocin p-3 (Maytansinol isobutyrate, NSC292222)

>  <Synonyms> (376)
Antibiotic C 15003P3

>  <Target> (376)
ADC Cytotoxin,Microtubule Associated

>  <Form> (376)
Free Base

>  <CAS> (376)
66584-72-3

>  <URL> (376)
http://www.selleckchem.com/products/ansamitocin-p-3-maytansinol-isobutyrate.html

$$$$

csChFnd80/08212509252D

 35 42  0  0  0  0  0  0  0  0999 V2000
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    5.5549    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7374    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1018    7.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    7.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    6.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    8.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    7.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    5.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8374    7.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    8.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7374    8.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1273    5.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747    5.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1557    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270    5.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170    6.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3546    7.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5700   10.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374   10.9116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048   10.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824   10.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    3.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5549    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 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 11  1  0  0  0  0
  8 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 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 22  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 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (377)
5457

>  <Formula> (377)
C28H26N4O3

>  <MolWeight> (377)
466.53104

>  <Cat> (377)
S1421

>  <Name> (377)
Staurosporine (AM-2282)

>  <Synonyms> (377)
Antibiotic AM-2282, STS

>  <Target> (377)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,CaMK,PKA,PKC,PKG,S6 Kinase

>  <Form> (377)
Free Base

>  <CAS> (377)
62996-74-1

>  <URL> (377)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/08212509252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1444    3.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3699    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506    1.4970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2985    9.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3972    7.1815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    4.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142    3.5954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9877    2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070    1.3300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1398    1.7583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2697    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    5.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704    6.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086    6.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9802    7.6398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6138    7.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012    4.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
 11  2  1  1  0  0  0
  3 13  1  0  0  0  0
 17  4  1  1  0  0  0
  9  5  1  6  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  2  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (378)
5531

>  <Formula> (378)
C11H16N4O4

>  <MolWeight> (378)
268.26914

>  <Cat> (378)
S9521

>  <Name> (378)
Pentostatin

>  <Synonyms> (378)
CI-825,Deoxycoformycin

>  <Target> (378)
Adenosine Deaminase,DNA/RNA Synthesis

>  <Form> (378)
Free Base

>  <CAS> (378)
53910-25-1

>  <URL> (378)
https://www.selleckchem.com/products/pentostatin.html

$$$$

csChFnd80/08212509252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.7044    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2168    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3043    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    1.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9421    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    3.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9421    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1545    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783    6.1610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1545    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783    3.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5795    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    5.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0043    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 15  2  0  0  0  0
  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  7 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (379)
5559

>  <Formula> (379)
C14H10F3N5O2

>  <MolWeight> (379)
337.2567096

>  <Cat> (379)
S0195

>  <Name> (379)
Walrycin B

>  <Synonyms> (379)
N/A

>  <Target> (379)
Bacterial

>  <Form> (379)
Free Base

>  <CAS> (379)
878419-78-4

>  <URL> (379)
https://www.selleckchem.com/products/walrycin-b.html

$$$$

csChFnd80/08212509252D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1024    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
  4  6  2  0  0  0  0
  2  7  1  1  0  0  0
M  END
>  <Mol_ID> (380)
5694

>  <Formula> (380)
C4H8O3

>  <MolWeight> (380)
104.10452

>  <Cat> (380)
S3320

>  <Name> (380)
(R)-3-Hydroxybutanoic acid

>  <Synonyms> (380)
R-3HB, D-3-hydroxybutyric acid

>  <Target> (380)
Others

>  <Form> (380)
Free Base

>  <CAS> (380)
625-72-9

>  <URL> (380)
https://www.selleckchem.com/products/r-3-hydroxybutanoic-acid.html

$$$$

csChFnd80/08212509252D

 48 51  0  0  0  0  0  0  0  0999 V2000
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   11.6342    5.9363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8453    6.6355    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0544    5.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0544    4.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8468    3.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2360    4.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2360    5.9327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2443    3.5445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8468    2.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0645    1.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6396    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2717    3.8397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4893    4.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6339    5.9379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.0033    6.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7033    5.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7665    3.9761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0956    4.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2667    7.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 29  1  0  0  0  0
 29 30  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  1  0  0  0  0
 35 31  2  0  0  0  0
 29 31  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
 30 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
  2 44  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
M  END
>  <Mol_ID> (381)
5728

>  <Formula> (381)
C24H25N8O10PS4

>  <MolWeight> (381)
744.736661

>  <Cat> (381)
S4417

>  <Name> (381)
Ceftaroline Fosamil

>  <Synonyms> (381)
CX-0903, DSP-5990, PPI-0903, TAK-599, Teflaro, Zinforo

>  <Target> (381)
Anti-infection

>  <Form> (381)
Free Base

>  <CAS> (381)
400827-46-5

>  <URL> (381)
https://www.selleckchem.com/products/ceftaroline-fosamil.html

$$$$

csChFnd80/08212509252D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.9652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2189    2.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1887    2.8496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072    0.7244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5919    2.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7941    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3626    2.1718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0099    2.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3626    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4313    2.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2189    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    2.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6421    2.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4308    0.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072    2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    4.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868    5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    4.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (382)
5788

>  <Formula> (382)
C18H26ClN3

>  <MolWeight> (382)
319.87214

>  <Cat> (382)
S6999

>  <Name> (382)
Chloroquine (NSC-187208)

>  <Synonyms> (382)
Aralen, CHQ, CQ

>  <Target> (382)
Autophagy,COVID-19,HIV Protease,TLR

>  <Form> (382)
Free Base

>  <CAS> (382)
54-05-7

>  <URL> (382)
http://www.selleckchem.com/products/chloroquine.html

$$$$

csChFnd80/08212509252D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.8118    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    7.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9393    2.5095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4961    7.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    1.8095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    1.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6022    1.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    6.0337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1743    1.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    1.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    7.4482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    5.3047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3587    5.3047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1463    6.0047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9393    3.9047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    6.0531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6103    6.0531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3587    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    3.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    3.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8787    5.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152    5.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6022    3.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    3.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999    7.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8787    3.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1824    6.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4881    8.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046    8.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1743    3.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    3.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5037    5.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5037    3.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  2  1  1  0  0  0
 16  3  1  1  0  0  0
 18  4  1  6  0  0  0
  5 20  2  0  0  0  0
  6 21  1  0  0  0  0
  7 24  1  0  0  0  0
  8 23  2  0  0  0  0
  9 31  1  0  0  0  0
 10 32  2  0  0  0  0
 17 11  1  1  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  6  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  6  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 18 26  1  1  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 32  1  0  0  0  0
 27 31  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (383)
5790

>  <Formula> (383)
C22H25ClN2O9

>  <MolWeight> (383)
496.8949

>  <Cat> (383)
S5199

>  <Name> (383)
Oxytetracycline hydrochloride

>  <Synonyms> (383)
OTC, Oxycycin, Stevacin, Terramycin

>  <Target> (383)
Antibiotics,Bacterial

>  <Form> (383)
Hydrochloride

>  <CAS> (383)
2058-46-0

>  <URL> (383)
http://www.selleckchem.com/products/oxytetracycline-hydrochloride.html

$$$$

csChFnd80/08212509252D

 30 25  0  0  0  0  0  0  0  0999 V2000
    2.8000   15.1838    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   15.1838    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5936    4.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5936    1.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0574    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6514    4.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8060    4.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0413    5.6968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   13.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.1838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200   12.3838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459    5.6968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6514    1.4145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    3.5484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3812    2.1484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1297    4.2969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1297    1.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8611    2.1193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8611    3.5775    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8060    3.5484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8060    2.1484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0574    4.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3259    2.1193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3259    3.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416    6.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5356    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 17  3  1  1  0  0  0
  3 23  1  0  0  0  0
 18  4  1  6  0  0  0
 24  4  1  1  0  0  0
 20  5  1  1  0  0  0
  6 24  1  0  0  0  0
  6 26  1  0  0  0  0
 22  7  1  6  0  0  0
 23  8  1  6  0  0  0
  9 25  2  0  0  0  0
 19 15  1  6  0  0  0
 15 28  1  0  0  0  0
 21 16  1  6  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  1  0  0  0
M  END
>  <Mol_ID> (384)
5799

>  <Formula> (384)
C14H36Cl2N2O12

>  <MolWeight> (384)
495.34784

>  <Cat> (384)
S5417

>  <Name> (384)
Spectinomycin dihydrochloride pentahydrate

>  <Synonyms> (384)
Trobicin, Spectinomycin hydrochloride hydrate

>  <Target> (384)
Antibiotics,Bacterial

>  <Form> (384)
Dihydrochloride pentahydrate

>  <CAS> (384)
22189-32-8

>  <URL> (384)
http://www.selleckchem.com/products/spectinomycin-dihydrochloride-pentahydrate.html

$$$$

csChFnd80/08212509252D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.4599    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4599    4.2100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7798    2.3751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0848    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    4.2100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7798    4.6402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6098    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2147    1.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0897    1.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0897    5.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6448    4.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6448    2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849    0.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7514    4.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    5.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1369    7.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215    5.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3339    8.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010    5.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487    8.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2403    5.5927    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  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
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  6  0  0  0
M  END
>  <Mol_ID> (385)
5820

>  <Formula> (385)
C15H23N3O3S

>  <MolWeight> (385)
325.42642

>  <Cat> (385)
S6584

>  <Name> (385)
Amdinocillin

>  <Synonyms> (385)
Mecillinam, Coactin, FL 1060

>  <Target> (385)
Antibiotics,Bacterial

>  <Form> (385)
Free Base

>  <CAS> (385)
32887-01-7

>  <URL> (385)
http://www.selleckchem.com/products/amdinocillin.html

$$$$

csChFnd80/08212509252D

 43 45  0  0  0  0  0  0  0  0999 V2000
    5.4151    9.1880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9205   13.4703    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2876    9.2365    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628    5.0365    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0554    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6306    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2678    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628   14.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6927    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   12.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2876   14.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205   10.6026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628   10.6365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503    8.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4379    6.4365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    9.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   10.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5634    9.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303   11.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3988   10.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303   12.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503   11.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503   12.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    1.4001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0554    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3988   13.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6306    2.1001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2678    1.4001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8628   13.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0752   11.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0752   12.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4803    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628    9.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0752    8.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2876   13.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0752    7.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503    7.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628    6.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 38  1  0  0  0  0
  4 43  1  0  0  0  0
  5 19  1  0  0  0  0
 27  6  1  6  0  0  0
 28  7  1  6  0  0  0
 30  8  1  6  0  0  0
 31  9  1  1  0  0  0
 10 32  2  0  0  0  0
 11 36  1  0  0  0  0
 12 39  1  0  0  0  0
 13 39  2  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 25  1  0  0  0  0
 15 34  1  0  0  0  0
 15 37  1  0  0  0  0
 16 33  1  0  0  0  0
 16 40  1  0  0  0  0
 17 37  1  0  0  0  0
 17 42  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  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
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 29  2  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 36  1  0  0  0  0
 32 35  1  0  0  0  0
 34 35  2  0  0  0  0
 35 39  1  0  0  0  0
 37 38  2  0  0  0  0
 38 41  1  0  0  0  0
 41 43  2  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (386)
5824

>  <Formula> (386)
C25H29ClF3N5O9

>  <MolWeight> (386)
635.9740696

>  <Cat> (386)
S4488

>  <Name> (386)
Delafloxacin Meglumine

>  <Synonyms> (386)
ABT-492, RX-3341, WQ-3034, Baxdela

>  <Target> (386)
Antibiotics

>  <Form> (386)
Free Base

>  <CAS> (386)
352458-37-8

>  <URL> (386)
http://www.selleckchem.com/products/delafloxacin-meglumine.html

$$$$

csChFnd80/08212509252D

 40 42  0  0  0  0  0  0  0  0999 V2000
   10.1311    6.2801    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    3.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6270    1.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9330    2.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6819    5.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7085    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2836    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    4.4475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    6.8453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9209    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4961    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    5.8475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9540    5.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1311    4.0149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3879    5.8533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3879    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0866    5.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0866    4.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5637    2.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0470    6.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0592    7.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7061    7.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182    8.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409    5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    7.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9878    5.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9209    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1334   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7085   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7085    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1334   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7085   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4961    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4961    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7085    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2836    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7085    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2836    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4961    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 16  2  0  0  0  0
  3 19  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  2  0  0  0  0
  6 31  1  0  0  0  0
  6 34  1  0  0  0  0
  7 34  2  0  0  0  0
 12  8  1  1  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
 15  9  1  1  0  0  0
  9 20  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 40  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  6  0  0  0
 15 16  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (387)
5855

>  <Formula> (387)
C29H38N4O6S

>  <MolWeight> (387)
570.70022

>  <Cat> (387)
S4979

>  <Name> (387)
Procaine penicillin G

>  <Synonyms> (387)
PGP, Penicillin G Procaine, Bicillin C-R

>  <Target> (387)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (387)
Free Base

>  <CAS> (387)
54-35-3

>  <URL> (387)
http://www.selleckchem.com/products/procaine-penicillin-g.html

$$$$

csChFnd80/08212509252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.9320    1.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530    0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5204    1.7640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1890    1.3314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3661    2.4640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9661    2.4640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    3.5967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5204    3.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    7.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.8607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.6607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  6  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
 13 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
 12 18  1  0  0  0  0
  9 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (388)
5861

>  <Formula> (388)
C12H18N6O3

>  <MolWeight> (388)
294.30972

>  <Cat> (388)
S9631

>  <Name> (388)
Puromycin aminonucleoside

>  <Synonyms> (388)
NSC 3056, PAN, Stylomycin aminonucleoside, ARDMA, SAN

>  <Target> (388)
Aminopeptidase,Apoptosis related,DPP

>  <Form> (388)
Free Base

>  <CAS> (388)
58-60-6

>  <URL> (388)
http://www.selleckchem.com/products/puromycin-aminonucleoside.html

$$$$

csChFnd80/08212509252D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.9392    5.6399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    1.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1462    6.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6902    6.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6022    6.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    2.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1742    6.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    6.3713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    0.7011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    2.8447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3586    2.8447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1462    2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9392    4.2447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    2.0962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6102    2.0962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3586    4.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1462    4.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6902    4.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4152    2.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6022    4.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8786    4.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6997    1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1823    2.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4881    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1742    5.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5036    2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5036    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  6  0  0  0
 16  2  1  1  0  0  0
  3 18  2  0  0  0  0
  4 19  1  0  0  0  0
  5 22  1  0  0  0  0
  6 21  2  0  0  0  0
  7 29  1  0  0  0  0
  8 30  2  0  0  0  0
 15  9  1  6  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  1  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 20  1  0  0  0  0
 16 25  1  6  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 26  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 29  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (389)
5866

>  <Formula> (389)
C22H24N2O8

>  <MolWeight> (389)
444.43456

>  <Cat> (389)
S4490

>  <Name> (389)
Tetracycline

>  <Synonyms> (389)
TC

>  <Target> (389)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Bacterial

>  <Form> (389)
Free Base

>  <CAS> (389)
60-54-8

>  <URL> (389)
http://www.selleckchem.com/products/tetracycline.html

$$$$

csChFnd80/08212509252D

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.2779    3.9928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.0928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.8458    3.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245   10.1421    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.8899    7.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.8928    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.4903    8.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6080    5.4061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    1.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    6.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    6.0928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8899    3.6950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8657    1.7111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0882    4.7282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3694    5.7382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    4.6928    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9019    4.6871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9019    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    8.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2429    4.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2309    3.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5838    3.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    6.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6701    2.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4861    4.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    4.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1475    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 28  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  5 19  2  0  0  0  0
  6 24  1  0  0  0  0
  7 24  2  0  0  0  0
  8 25  2  0  0  0  0
  9 14  1  0  0  0  0
  9 35  1  0  0  0  0
 10 28  2  0  0  0  0
 11 29  1  0  0  0  0
 11 34  1  0  0  0  0
 17 12  1  1  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 18 13  1  1  0  0  0
 13 25  1  0  0  0  0
 14 26  2  0  0  0  0
 15 27  1  0  0  0  0
 15 31  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  1  0  0  0  0
 29 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (390)
5883

>  <Formula> (390)
C19H16N5NaO7S3

>  <MolWeight> (390)
545.54441

>  <Cat> (390)
S5495

>  <Name> (390)
Ceftiofur sodium

>  <Synonyms> (390)
N/A

>  <Target> (390)
Bacterial

>  <Form> (390)
Sodium

>  <CAS> (390)
104010-37-9

>  <URL> (390)
http://www.selleckchem.com/products/ceftiofur-sodium.html

$$$$

csChFnd80/08212509252D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.0933    4.6609    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3287    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.3623    1.8305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892    0.0238    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8954    0.7731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6442    3.5150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052    6.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.8283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3623    5.2261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971    7.8789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    4.2283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9162    3.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0933    2.3957    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3503    4.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3503    2.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0488    4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0488    2.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5259    1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0093    4.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213    5.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2432    7.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6381    5.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    7.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6645    7.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681    9.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9132    7.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169    9.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9894    9.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 15  2  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  2  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
 11  8  1  1  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
 14  9  1  1  0  0  0
  9 19  1  0  0  0  0
 10 21  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  6  0  0  0
 14 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (391)
5890

>  <Formula> (391)
C19H18N3NaO5S

>  <MolWeight> (391)
423.41809

>  <Cat> (391)
S4974

>  <Name> (391)
Oxacillin sodium

>  <Synonyms> (391)
Oxacillin sodium salt

>  <Target> (391)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (391)
Sodium

>  <CAS> (391)
1173-88-2

>  <URL> (391)
http://www.selleckchem.com/products/oxacillin-sodium.html

$$$$

csChFnd80/08212509252D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4849    5.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697    2.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5616    7.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1158    9.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    1.5049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4017    2.2049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4017    3.6049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9733    1.6511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6143    4.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8267    2.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3213    0.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    4.7088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8267    3.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8209    2.7235    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    4.0795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5604    4.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707    4.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    0.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    5.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370    4.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5012    5.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618    7.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9654    6.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4388    8.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
  1 25  1  0  0  0  0
 16  2  1  1  0  0  0
  3 15  2  0  0  0  0
  4 25  2  0  0  0  0
  5 27  1  0  0  0  0
  7  6  1  1  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 16  1  0  0  0  0
  9 21  1  6  0  0  0
 10 14  1  0  0  0  0
 10 22  1  6  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  6  0  0  0
 18 24  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (392)
5907

>  <Formula> (392)
C22H34O5

>  <MolWeight> (392)
378.50236

>  <Cat> (392)
S4436

>  <Name> (392)
Pleuromutilin

>  <Synonyms> (392)
Drosophilin B, Mutilin 14-glycolate

>  <Target> (392)
Antibiotics,Bacterial

>  <Form> (392)
Free Base

>  <CAS> (392)
125-65-5

>  <URL> (392)
http://www.selleckchem.com/products/pleuromutilin.html

$$$$

csChFnd80/08212509252D

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.7383    2.8220    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1053    6.8949    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.0526    4.6371    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2229    0.6509    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.3216    1.8067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8545    0.7492    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.5482    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6035    3.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9564    7.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647    0.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7212    2.8045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3216    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    6.8672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7212    4.2045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8755    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0526    2.3719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3095    4.2102    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3095    2.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0081    4.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0081    2.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4852    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686    4.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9806    5.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974    5.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2025    7.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4512    7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4921    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1756    5.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    2.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0704    3.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  5 18  2  0  0  0  0
  6 21  1  0  0  0  0
  7 21  2  0  0  0  0
  8 22  2  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
 14 11  1  1  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 17 12  1  1  0  0  0
 12 22  1  0  0  0  0
 13 24  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  6  0  0  0
 17 18  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (393)
5919

>  <Formula> (393)
C19H18Cl2N3NaO6S

>  <MolWeight> (393)
510.32349

>  <Cat> (393)
S5969

>  <Name> (393)
Dicloxacillin Sodium hydrate

>  <Synonyms> (393)
DLX, Dycill, Dynapen, Pathocil

>  <Target> (393)
Antineoplastic and Immunosuppressive Antibiotics,Immunology & Inflammation related,P450 (e.g. CYP17)

>  <Form> (393)
Sodium hydrate

>  <CAS> (393)
13412-64-1

>  <URL> (393)
http://www.selleckchem.com/products/dicloxacillin-sodium-hydrate.html

$$$$

csChFnd80/08212509252D

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.1156    9.5578    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4849    5.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697    2.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5616    7.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693   12.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1759    7.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9677    9.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2239   14.3535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    1.5049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4017    2.2049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4017    3.6049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9733    1.6510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6143    4.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8267    2.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214    0.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    4.7088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8267    3.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8209    2.7235    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    4.0795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5604    4.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707    4.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    0.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    5.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0369    4.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5012    5.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618    7.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9654    6.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4388    8.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928   10.7567    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0696   11.9823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9930   10.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466   13.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701   11.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9468   13.1545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7595    7.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9677    8.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
 32  1  1  6  0  0  0
 17  2  1  6  0  0  0
  2 29  1  0  0  0  0
 20  3  1  1  0  0  0
  4 19  2  0  0  0  0
  5 29  2  0  0  0  0
 33  6  1  1  0  0  0
  7 39  1  0  0  0  0
  8 39  2  0  0  0  0
 37  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  1  0  0  0
 11 12  1  0  0  0  0
 11 19  1  1  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  1  0  0  0
 13 20  1  0  0  0  0
 13 25  1  6  0  0  0
 14 18  1  0  0  0  0
 14 26  1  6  0  0  0
 15 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 23  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  6  0  0  0
 22 28  1  1  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (394)
5920

>  <Formula> (394)
C30H49NO7S

>  <MolWeight> (394)
567.77756

>  <Cat> (394)
S3496

>  <Name> (394)
Lefamulin acetate (Xenleta)

>  <Synonyms> (394)
BC-3781 acetate

>  <Target> (394)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Bacterial

>  <Form> (394)
Free Base

>  <CAS> (394)
1350636-82-6

>  <URL> (394)
http://www.selleckchem.com/products/lefamulin-acetate.html

$$$$

csChFnd80/08212509252D

 50 53  0  0  0  0  0  0  0  0999 V2000
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    2.9315    3.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416    7.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3044    2.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8073    4.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4695    6.8324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9067    1.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1482    5.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2252   11.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7774    5.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7774   11.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9424    8.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2218    3.9687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    7.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2658    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8032    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6501    9.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  1  1  1  0  0  0
  1 28  1  0  0  0  0
 15  2  1  6  0  0  0
 19  3  1  6  0  0  0
 21  4  1  6  0  0  0
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 14 15  1  0  0  0  0
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 14 20  1  1  0  0  0
 15 17  1  0  0  0  0
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 18 24  1  6  0  0  0
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 22 25  1  1  0  0  0
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 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 28 33  1  0  0  0  0
 30 39  1  0  0  0  0
 32 35  1  0  0  0  0
 32 38  1  1  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 37 44  1  0  0  0  0
 39 43  2  0  0  0  0
 40 42  2  0  0  0  0
 40 47  1  0  0  0  0
 41 42  1  0  0  0  0
 41 45  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  0  0  0  0
 44 48  1  0  0  0  0
 45 46  1  0  0  0  0
 46 48  2  0  0  0  0
M  END
>  <Mol_ID> (395)
5923

>  <Formula> (395)
C37H45NO12

>  <MolWeight> (395)
695.7527

>  <Cat> (395)
S4425

>  <Name> (395)
Rifamycin S

>  <Synonyms> (395)
N/A

>  <Target> (395)
Antibiotics,Bacterial,ROS

>  <Form> (395)
Free Base

>  <CAS> (395)
13553-79-2

>  <URL> (395)
http://www.selleckchem.com/products/rifamycin-s.html

$$$$

csChFnd80/08212509252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8360    2.7951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3835    1.3923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5336    1.5869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384    4.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    3.4988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793    3.3163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2815    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7428    1.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4818    2.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    4.9133    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 15 16  2  0  0  0  0
  5 17  1  0  0  0  0
M  END
>  <Mol_ID> (396)
5937

>  <Formula> (396)
C9H8N3NaO2S2

>  <MolWeight> (396)
277.29849

>  <Cat> (396)
S5963

>  <Name> (396)
Sulfathiazole sodium

>  <Synonyms> (396)
N/A

>  <Target> (396)
Anti-infection

>  <Form> (396)
Sodium

>  <CAS> (396)
144-74-1

>  <URL> (396)
http://www.selleckchem.com/products/sulfathiazole-sodium.html

$$$$

csChFnd80/08212509252D

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.1503    3.9929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5129    6.0929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    8.1853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.7183    3.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7623    7.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3627    8.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3851    1.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 25  1  0  0  0  0
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  8 26  2  0  0  0  0
  9 14  1  0  0  0  0
  9 37  1  0  0  0  0
 10 36  1  0  0  0  0
 11 36  2  0  0  0  0
 18 12  1  1  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 19 13  1  1  0  0  0
 13 26  1  0  0  0  0
 14 27  2  0  0  0  0
 15 28  2  0  0  0  0
 15 31  1  0  0  0  0
 16 29  1  0  0  0  0
 16 35  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 32  2  0  0  0  0
 30 31  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (397)
5984

>  <Formula> (397)
C20H20N6O7S4

>  <MolWeight> (397)
584.6688

>  <Cat> (397)
S5235

>  <Name> (397)
Cefodizime

>  <Synonyms> (397)
CEF, CDZ

>  <Target> (397)
Bacterial

>  <Form> (397)
Free Base

>  <CAS> (397)
69739-16-8

>  <URL> (397)
http://www.selleckchem.com/products/cefodizime.html

$$$$

csChFnd80/08212509252D

 42 46  0  0  0  0  0  0  0  0999 V2000
    7.0655    8.6800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   10.7800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6774   11.7778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531   13.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3956   10.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779   13.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9941    5.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4306    9.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9351    4.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779   10.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6774    8.3822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6532    6.3983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367   10.9105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695   12.8723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8988    1.7111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.1634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    9.3800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6895    9.3741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.0183    7.7497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3714    8.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7365    9.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3594    7.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0775    8.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9230    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2639    3.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    9.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5578    2.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5458    1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1807    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 23  1  0  0  0  0
  2 25  1  0  0  0  0
  2 32  1  0  0  0  0
  3 20  2  0  0  0  0
  4 26  1  0  0  0  0
  5 24  2  0  0  0  0
  6 26  2  0  0  0  0
  7 31  2  0  0  0  0
  8 36  1  0  0  0  0
  9 37  2  0  0  0  0
 18 10  1  1  0  0  0
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 10 21  1  0  0  0  0
 19 11  1  1  0  0  0
 11 24  1  0  0  0  0
 27 12  1  1  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 39  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  2  0  0  0  0
 15 17  2  0  0  0  0
 16 38  1  0  0  0  0
 16 41  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  2  0  0  0  0
 31 35  1  0  0  0  0
 33 36  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
 37 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (398)
5985

>  <Formula> (398)
C25H24N8O7S2

>  <MolWeight> (398)
612.63746

>  <Cat> (398)
S5186

>  <Name> (398)
Cefpiramide

>  <Synonyms> (398)
Cefpiramide acid, Cefpiramido, Cefpiramidum, WY-44635, SM-1652

>  <Target> (398)
Antineoplastic and Immunosuppressive Antibiotics,Bacterial

>  <Form> (398)
Free Base

>  <CAS> (398)
70797-11-4

>  <URL> (398)
http://www.selleckchem.com/products/cefpiramide.html

$$$$

csChFnd80/08212509252D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.6099    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.0412    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3669    7.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0043    5.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7919    7.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3669    3.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.1736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    1.7643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3669    1.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6669    0.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0669    0.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1545    3.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5795    3.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1545    5.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9031    3.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345    3.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5795    5.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    3.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2205    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9031    6.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345    5.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  3 20  2  0  0  0  0
  4 25  1  0  0  0  0
  5 25  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 17  2  0  0  0  0
 14 20  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  1  0  0  0  0
 16 24  2  0  0  0  0
 17 20  1  0  0  0  0
 17 25  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (399)
6009

>  <Formula> (399)
C17H19ClFN3O3

>  <MolWeight> (399)
367.8024632

>  <Cat> (399)
S5008

>  <Name> (399)
Ciprofloxacin hydrochloride

>  <Synonyms> (399)
CPX, Cetraxal, Ciloxan, Cipro, Bay-09867 hydrochloride

>  <Target> (399)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Bacterial,Topoisomerase

>  <Form> (399)
Hydrochloride

>  <CAS> (399)
93107-08-5

>  <URL> (399)
http://www.selleckchem.com/products/ciprofloxacin-hydrochloride.html

$$$$

csChFnd80/08212509252D

 39 40  0  0  0  0  0  0  0  0999 V2000
    6.2700   10.8200    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.4270    7.9346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6368    8.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8547    7.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8599    6.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6411    5.8242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    6.5255    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0229    6.5203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0176    7.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6316   10.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4235   10.7274    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0575    8.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6935    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3018    1.6763    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9508    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1839    2.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609    3.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3698    3.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0621    5.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3337   10.7989    0.0000 Na  0  3  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  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  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 16 23  1  0  0  0  0
 14 17  1  0  0  0  0
 13 14  1  0  0  0  0
  4 13  1  0  0  0  0
  9 24  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 29  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
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 28 35  1  0  0  0  0
 25 26  1  0  0  0  0
  8 25  1  6  0  0  0
  7 38  1  1  0  0  0
M  END
>  <Mol_ID> (400)
6017

>  <Formula> (400)
C18H16N8Na2O7S3

>  <MolWeight> (400)
598.54358

>  <Cat> (400)
S5644

>  <Name> (400)
Ceftriaxone Sodium

>  <Synonyms> (400)
N/A

>  <Target> (400)
Antibiotics,Bacterial

>  <Form> (400)
Sodium

>  <CAS> (400)
74578-69-1

>  <URL> (400)
http://www.selleckchem.com/products/ceftriaxone-sodium.html

$$$$

csChFnd80/08212509252D

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8885    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    0.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8885    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1569    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1569    0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  2  0  0  0  0
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  3  9  1  0  0  0  0
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  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (401)
6573

>  <Formula> (401)
C10H8O2

>  <MolWeight> (401)
160.16932

>  <Cat> (401)
E0656

>  <Name> (401)
7-Methylcoumarin

>  <Target> (401)
Antibiotics

>  <Form> (401)
free base

>  <CAS> (401)
2445-83-2

>  <URL> (401)
http://www.selleckchem.com/products/7-methylcoumarin.html

$$$$

csChFnd80/08212509252D

 34 35  0  0  0  0  0  0  0  0999 V2000
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.
M  END
>  <Mol_ID> (402)
6576

>  <Formula> (402)
C19H24FN5O7RS

>  <MolWeight> (402)
485.4865632

>  <Cat> (402)
E0706

>  <Name> (402)
Gemifloxacin mesylate

>  <Synonyms> (402)
SB265805 mesylate; LB20304 mesylate

>  <Target> (402)
Antibiotics

>  <Form> (402)
Mesylate

>  <CAS> (402)
210353-53-0

>  <URL> (402)
http://www.selleckchem.com/products/gemifloxacin-mesylate.html

$$$$

csChFnd80/08212509252D

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A  239
 .
M  END
>  <Mol_ID> (403)
6613

>  <Formula> (403)
C86H103Cl3N10O34P2R

>  <MolWeight> (403)
1989.091142

>  <Cat> (403)
E0816

>  <Name> (403)
Oritavancin Diphosphate

>  <Synonyms> (403)
N/A

>  <Target> (403)
Bacterial

>  <Form> (403)
Diphosphate

>  <CAS> (403)
192564-14-0

>  <URL> (403)
http://www.selleckchem.com/products/oritavancin-diphosphate.html

$$$$

csChFnd80/08212509252D

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    9.9137    2.1053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8664    4.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6575    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7063    5.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9137    3.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846    5.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1282    1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9137    0.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664    5.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6575    3.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9173    6.3210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3392    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1282    0.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    4.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1282    5.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9173    7.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5503    1.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    5.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362    3.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3427    6.3210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1282    8.4210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537    5.6210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3427    7.7210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1282    9.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537    8.4210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7063    7.0210    0.0000 H   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  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
  9 15  1  1  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  1  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  2  0  0  0  0
 15 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 40  1  1  0  0  0
 24 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 32  2  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
 31 35  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  1  0  0  0
 37 39  1  1  0  0  0
M  END
>  <Mol_ID> (404)
6723

>  <Formula> (404)
C27H29NO11

>  <MolWeight> (404)
543.51926

>  <Cat> (404)
E2516

>  <Name> (404)
Doxorubicin

>  <Synonyms> (404)
Adriamycin,Hydroxydaunorubicin

>  <Target> (404)
Topoisomerase

>  <Form> (404)
free base

>  <CAS> (404)
23214-92-8

>  <URL> (404)
http://www.selleckchem.com/products/doxorubicin.html

$$$$

csChFnd80/08212509252D

 39 39  0  0  0  0  0  0  0  0999 V2000
   16.9742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    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
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    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
    6.0621    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    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
    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
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    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
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  2 11  2  0  0  0  0
  3 23  1  0  0  0  0
  3 38  1  0  0  0  0
  4 30  1  0  0  0  0
  5 30  2  0  0  0  0
  6 38  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  1  0  0  0
  9 11  1  0  0  0  0
  9 13  1  1  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 14 16  1  1  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 24  1  0  0  0  0
 21 28  1  0  0  0  0
 21 32  1  6  0  0  0
 22 23  1  0  0  0  0
 22 33  1  1  0  0  0
 22 35  1  0  0  0  0
 23 31  1  1  0  0  0
 24 27  1  0  0  0  0
 25 27  2  0  0  0  0
 28 29  2  0  0  0  0
 29 34  1  0  0  0  0
 29 36  1  0  0  0  0
 31 34  2  0  0  0  0
 35 37  2  0  0  0  0
 36 39  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (405)
6819

>  <Formula> (405)
C33H48O6

>  <MolWeight> (405)
540.73062

>  <Cat> (405)
S7580

>  <Name> (405)
Leptomycin B

>  <Synonyms> (405)
LMB, CI 940, Elactocin,  Mantuamycin, NSC 364372

>  <Target> (405)
CRM1

>  <Form> (405)
free base

>  <CAS> (405)
87081-35-4

>  <URL> (405)
http://www.selleckchem.com/products/leptomycinb.html

$$$$
Streptomycin sulfate.cdx
csChFnd80/08212509252D

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    1.4868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8820    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571    8.4969    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571    7.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571    9.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9523    8.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1619    8.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571    4.3871    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571    2.9919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571    5.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9523    4.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1619    4.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   13.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9031   12.7050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0895   13.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0895   14.7599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9031   15.4449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7167   14.7599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9031   16.8149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   12.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9031   11.3351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2759   15.4449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561   14.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425   15.4449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561   13.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5581   12.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2188   15.4788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4094   14.2003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6796   13.6090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7592   14.4524    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5685   15.8090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2983   16.3222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0293   13.9392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1077   17.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1246   12.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6480   16.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8703   12.2524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1119   11.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6030   14.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   12.6580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3193   12.5785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9755   11.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1619   10.5437    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2106   11.3829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2452    9.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3970   12.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2759    4.7594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    4.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425    4.7594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    2.7044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5581    1.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2188    4.7932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4094    3.5148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.8703    1.5668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1119    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6030    3.5148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (406)
7407

>  <Formula> (406)
C42H84N14O36S3

>  <MolWeight> (406)
1457.38356

>  <Cat> (406)
S2572

>  <Name> (406)
Streptomycin sulfate

>  <Synonyms> (406)
Phytomycin

>  <Target> (406)
Antibiotics for Plant Cell Culture,Anti-infection,Selection Antibiotics for Transfected Cell

>  <Form> (406)
1.5 Sulfate

>  <CAS> (406)
3810-74-0

>  <URL> (406)
http://selleckchem.com/products/streptomycin-sulfate.html

$$$$
Clindamycin phosphate.cdx
csChFnd80/08212509252D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (407)
7408

>  <Formula> (407)
C18H34ClN2O8PS

>  <MolWeight> (407)
504.962921

>  <Cat> (407)
S2048

>  <Name> (407)
Clindamycin Phosphate

>  <Synonyms> (407)
NSC 618653

>  <Target> (407)
Antibiotics

>  <Form> (407)
free base

>  <CAS> (407)
24729-96-2

>  <URL> (407)
http://selleckchem.com/products/clindamycin-phosphate.html

$$$$

csChFnd80/08212509252D

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M  END
>  <Mol_ID> (408)
7411

>  <Formula> (408)
C25H46N14O11S

>  <MolWeight> (408)
750.78494

>  <Cat> (408)
S4234

>  <Name> (408)
Capreomycin Sulfate

>  <Synonyms> (408)
N/A

>  <Target> (408)
Antibiotics

>  <Form> (408)
Sulfate

>  <CAS> (408)
1405-37-4

>  <URL> (408)
http://selleckchem.com/products/capreomycin-sulfate.html

$$$$
Paromomycin Sulfate.cdx
csChFnd80/08212509252D

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    7.1922   11.2315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3893   11.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7134   12.5470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
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    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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 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> (409)
7414

>  <Formula> (409)
C23H47N5O18S

>  <MolWeight> (409)
713.70698

>  <Cat> (409)
S4183

>  <Name> (409)
Paromomycin Sulfate

>  <Synonyms> (409)
Aminosidine sulfate

>  <Target> (409)
Antibiotics,Antibiotics for Mammalian Cell Culture,Antibiotics for Plant Cell Culture,Selection Antibiotics for Transfected Cell

>  <Form> (409)
Sulfate

>  <CAS> (409)
1263-89-4

>  <URL> (409)
http://selleckchem.com/products/paromomycin-sulfate.html

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/08212509252D

 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
   13.4077    0.1069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.3476    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   14.5917    5.6146    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.1750    6.8542    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.8164    4.2875    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
    6.2330    7.8604    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    9.1959    7.7292    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.3476    5.3813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5600    4.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683    5.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.7624    4.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 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> (410)
7417

>  <Formula> (410)
C12H10BiK5O14+2

>  <MolWeight> (410)
782.67128

>  <Cat> (410)
S4093

>  <Name> (410)
Bismuth Subcitrate Potassium

>  <Synonyms> (410)
N/A

>  <Target> (410)
Antibiotics,Bacterial

>  <Form> (410)
Potassium salt

>  <CAS> (410)
880149-29-1

>  <URL> (410)
http://selleckchem.com/products/bismuth-subcitrate-potassium.html

$$$$
Colistin sulfate.cdx
csChFnd80/08212509252D

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
   20.2661   24.0834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9661   25.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   25.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   26.5083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0661   24.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661   22.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   22.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   21.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   22.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   25.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613   25.2958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0613   26.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0613   24.0834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6613   24.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   27.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4661   26.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1661   27.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5661   27.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   28.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   30.1456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.4661   28.9331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   31.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661   30.1456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4661   31.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1661   30.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1661   32.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2661   31.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8661   31.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661   32.5705    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.2661   33.7829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   32.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   33.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   34.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4661   33.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8661   33.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1661   32.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1661   34.9953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7661   34.9953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8661   36.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1661   37.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8661   38.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0661   33.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7661   32.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6661   33.7829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9661   32.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6661   31.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9661   34.9953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613   27.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   26.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613   22.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6277   35.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065   35.7166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8312   35.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3887   37.1165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5922   37.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1675   37.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030   35.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818   35.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6010   37.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5571   35.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5394   37.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182   37.7396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926   32.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3714   33.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4069   30.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   29.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212   28.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   29.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390   27.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355   26.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5661   34.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4661   33.7829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6905   31.4005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.6905   30.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6905   32.8005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (411)
7419

>  <Formula> (411)
C104H206N32O46S5

>  <MolWeight> (411)
2801.26024

>  <Cat> (411)
S4029

>  <Name> (411)
Colistin Sulfate

>  <Synonyms> (411)
Polymixin E Sulfate

>  <Target> (411)
Bacterial

>  <Form> (411)
Sulfate

>  <CAS> (411)
1264-72-8

>  <URL> (411)
http://selleckchem.com/products/colistin-sulfate.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/08212509252D

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    6.1534   10.7727    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  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
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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
  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
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
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 23 28  2  0  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
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (412)
7420

>  <Formula> (412)
C22H28FNa2O8P

>  <MolWeight> (412)
516.4046242

>  <Cat> (412)
S4028

>  <Name> (412)
Dexamethasone Sodium Phosphate

>  <Synonyms> (412)
Dexamethasone?21-phosphate disodium salt

>  <Target> (412)
Autophagy,Complement System,COVID-19,COX,IL Receptor

>  <Form> (412)
Disodium salt

>  <CAS> (412)
55203-24-2

>  <URL> (412)
http://selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
Ribostamycin Sulfate.cdx
csChFnd80/08212509252D

 36 37  0  0  0  0  0  0  0  0999 V2000
    6.0407    7.7146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0407    6.3098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2573    5.6073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4740    6.3098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4740    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8282    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6864    5.6098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    9.8171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    8.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698    3.5073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4698    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6864    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.6864    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3279    3.5073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6158    6.3098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4689    7.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3324    5.7383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5253    9.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    9.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0413    4.3689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6963    5.4756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.6963    4.0756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6963    6.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2963    5.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0963    5.4756    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
  2  7  1  1  0  0  0
  4  8  1  1  0  0  0
  6  9  1  1  0  0  0
  1 10  1  6  0  0  0
  3 11  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 17  1  0  0  0  0
 17 12  1  0  0  0  0
 12 11  1  6  0  0  0
 13 18  1  6  0  0  0
 15 19  1  6  0  0  0
 16 20  1  1  0  0  0
 14 21  1  1  0  0  0
 20 22  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 23  1  0  0  0  0
 23  7  1  1  0  0  0
 25 28  1  1  0  0  0
 28 29  1  0  0  0  0
 26 30  1  6  0  0  0
 27 31  1  6  0  0  0
 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> (413)
7436

>  <Formula> (413)
C17H36N4O14S

>  <MolWeight> (413)
552.55114

>  <Cat> (413)
S4215

>  <Name> (413)
Ribostamycin Sulfate

>  <Synonyms> (413)
Vistamycin Sulfate,Landamycine

>  <Target> (413)
Antibiotics,Selection Antibiotics for Transfected Cell

>  <Form> (413)
Sulfate

>  <CAS> (413)
53797-35-6

>  <URL> (413)
http://selleckchem.com/products/ribostamycin-sulfate.html

$$$$
tetramisole hydrochloride.cdx
csChFnd80/08212509252D

 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
  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
  7 12  2  0  0  0  0
  6 13  1  0  0  0  0
 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> (414)
7437

>  <Formula> (414)
C11H13ClN2S

>  <MolWeight> (414)
240.75232

>  <Cat> (414)
S4094

>  <Name> (414)
Tetramisole HCl

>  <Synonyms> (414)
R-829,(¡À)-Tetramisole hydrochloride

>  <Target> (414)
Parasite

>  <Form> (414)
Hydrochloride

>  <CAS> (414)
5086-74-8

>  <URL> (414)
http://selleckchem.com/products/tetramisole-hcl.html

$$$$
Minocycline hydrochloride.cdx
csChFnd80/08212509252D

 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
    7.2501    2.1074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4778    4.1760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    8.4778    1.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6958    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924    5.5778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8528    2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0321    0.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814    2.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2742    6.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6541    4.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1938    0.0338    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
  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
 10 35  1  6  0  0  0
 11 19  1  0  0  0  0
 13 20  1  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
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (415)
7440

>  <Formula> (415)
C23H28ClN3O7

>  <MolWeight> (415)
493.93732

>  <Cat> (415)
S4226

>  <Name> (415)
Minocycline (CL 59806) HCl

>  <Synonyms> (415)
Minocin

>  <Target> (415)
Antibiotics

>  <Form> (415)
Hydrochloride

>  <CAS> (415)
13614-98-7

>  <URL> (415)
http://selleckchem.com/products/minocycline-hcl.html

$$$$
Apramycin Sulfate.cdx
csChFnd80/08212509252D

 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
    9.8069    8.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
    3.4891    7.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7062   11.4840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7374    9.9475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7649    1.3637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1213    1.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4060    2.7203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4119    0.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  1  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 39  1  6  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
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  6  0  0  0
  7  9  1  0  0  0  0
  8 13  1  6  0  0  0
  8 11  1  0  0  0  0
  9 14  1  1  0  0  0
 11 15  1  6  0  0  0
 16 12  1  6  0  0  0
 14 17  1  0  0  0  0
 18 15  1  6  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  6  0  0  0
 21 26  1  0  0  0  0
 21 27  1  1  0  0  0
 22 28  1  0  0  0  0
 22 29  1  1  0  0  0
 23 30  1  0  0  0  0
 23 31  1  1  0  0  0
 24 32  1  1  0  0  0
 24 30  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  6  0  0  0
 28 33  1  0  0  0  0
 30 35  1  6  0  0  0
 31 36  1  0  0  0  0
 33 37  1  1  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (416)
7441

>  <Formula> (416)
C21H43N5O15S

>  <MolWeight> (416)
637.65562

>  <Cat> (416)
S4254

>  <Name> (416)
Apramycin Sulfate

>  <Synonyms> (416)
Ai3-29795

>  <Target> (416)
Antibiotics

>  <Form> (416)
Sulfate

>  <CAS> (416)
65710-07-8

>  <URL> (416)
http://selleckchem.com/products/apramycin-sulfate.html

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/08212509252D

 25 27  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8702    1.3927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    0.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2713    4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0784    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6620    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2909    4.1903    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  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  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
 12 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
 19 14  1  0  0  0  0
 12  9  1  6  0  0  0
 15 20  1  1  0  0  0
 13 21  2  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
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (417)
7443

>  <Formula> (417)
C16H17N3O4S

>  <MolWeight> (417)
347.38888

>  <Cat> (417)
S1502

>  <Name> (417)
Cephalexin

>  <Synonyms> (417)
Cefalexin

>  <Target> (417)
Antibiotics,Bacterial

>  <Form> (417)
free base

>  <CAS> (417)
15686-71-2

>  <URL> (417)
http://selleckchem.com/products/Cephalexin-(Cefalexin).html

$$$$
ceftazidime pentahydrate.cdx
csChFnd80/08212509252D

 43 41  0  0  0  0  0  0  0  0999 V2000
   10.1565    7.9098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825    8.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5861    7.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5739    6.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3577    5.8034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490    6.5098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7424    6.5240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7632    7.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825   10.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701   10.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5950   10.7033    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7986    8.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2327    8.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4421    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4360    6.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2205    5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0111    6.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0110    7.8885    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7732    8.9139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7524    5.5340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    5.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478    7.2666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    4.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    5.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    4.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    4.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    6.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    5.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    2.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053    1.6694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6530    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8905    2.4812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715    3.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0785    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7782    5.1598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3456   17.1615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5895   17.1615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4676    7.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7115    7.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2237    7.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2  9  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 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 12 18  1  0  0  0  0
  3 12  1  0  0  0  0
  8 19  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 26 31  1  0  0  0  0
 25 27  1  0  0  0  0
 23 24  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
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 23 35  1  0  0  0  0
 20 21  1  0  0  0  0
  7 20  1  6  0  0  0
  6 38  1  1  0  0  0
M  END
>  <Mol_ID> (418)
7450

>  <Formula> (418)
C22H32N6O12S2

>  <MolWeight> (418)
636.65248

>  <Cat> (418)
S4314

>  <Name> (418)
Ceftazidime Pentahydrate

>  <Synonyms> (418)
O.O.O.O.O.[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N\OC(C)(C)C(O)=O)\C1=CSC(N)=N1)C([O-])=O |r, c:8, 10, 12, 36, t:6, 32|

>  <Target> (418)
Others

>  <Form> (418)
Pentahydrate

>  <CAS> (418)
78439-06-2

>  <URL> (418)
http://www.selleckchem.com/products/ceftazidime-pentahydrate.html

$$$$
Micafungin sodium.cdx
csChFnd80/08212509252D

 90 96  0  0  0  0  0  0  0  0999 V2000
   12.4766   14.7081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5951   13.8652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1898   14.1591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8840   14.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4242   12.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5422   11.6329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8310   12.1797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3713   10.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6475   16.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3853   13.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0195   12.7070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9472   13.6334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7639   12.9166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0715   11.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628   11.4173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6066   14.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1181   15.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4782   13.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1800   10.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7801   10.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4944    8.9942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1048    9.1651    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3664    7.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3384   10.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2460    5.7126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5595    5.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7906    3.8447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1002    3.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7094    2.9552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3986    3.4468    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2952    2.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4804    4.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9040    1.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2040    4.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9972    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939    2.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0884    0.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3864    0.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4898    1.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9850    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489   11.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    9.9474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2377   11.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4086   13.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6974   13.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8153   12.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6444   11.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3556   11.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1042   13.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265    9.8922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8444    8.9423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7083    7.8421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1061    7.7642    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7268    6.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0934    6.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3636    3.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5316    3.1894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5938    1.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9154    1.4066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (419)
7462

>  <Formula> (419)
C56H70N9NaO23S

>  <MolWeight> (419)
1292.25627

>  <Cat> (419)
S4287

>  <Name> (419)
Micafungin (FK 463) Sodium

>  <Synonyms> (419)
Mycamine Sodium

>  <Target> (419)
Fungal

>  <Form> (419)
Sodium Salt

>  <CAS> (419)
208538-73-2

>  <URL> (419)
http://selleckchem.com/products/micafungin-sodium.html

$$$$
Caspofungin acetate.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (420)
7464

>  <Formula> (420)
C56H96N10O19

>  <MolWeight> (420)
1213.41704

>  <Cat> (420)
S3073

>  <Name> (420)
Caspofungin (MK-0991) Acetate

>  <Synonyms> (420)
L-743872

>  <Target> (420)
Fungal

>  <Form> (420)
diacetate

>  <CAS> (420)
179463-17-3

>  <URL> (420)
http://selleckchem.com/products/caspofungin-acetate.html

$$$$
Clopidol.cdx
csChFnd80/08212509252D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  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
  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
  1 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (421)
7467

>  <Formula> (421)
C7H7Cl2NO

>  <MolWeight> (421)
192.04258

>  <Cat> (421)
S4142

>  <Name> (421)
Clopidol

>  <Synonyms> (421)
WR 61112

>  <Target> (421)
Anti-infection

>  <Form> (421)
free base

>  <CAS> (421)
2971-90-6

>  <URL> (421)
http://selleckchem.com/products/clopidol.html

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/08212509252D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.0171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    5.1171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.1171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3368    5.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.1171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.1171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7624    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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  6  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  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 12 18  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 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  2  0  0  0  0
 21 26  1  6  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 24 30  1  0  0  0  0
M  END
>  <Mol_ID> (422)
7468

>  <Formula> (422)
C17H27ClN8O5

>  <MolWeight> (422)
458.89988

>  <Cat> (422)
S7419

>  <Name> (422)
Blasticidin S HCl

>  <Synonyms> (422)
N/A

>  <Target> (422)
Antibiotics,DNA/RNA Synthesis,Selection Antibiotics for Transfected Cell

>  <Form> (422)
hydrochloride salt

>  <CAS> (422)
3513-03-9

>  <URL> (422)
http://selleckchem.com/products/blasticidin-s-hcl.html

$$$$
Isepamicin sulfate.cdx
csChFnd80/08212509252D

 46 47  0  0  0  0  0  0  0  0999 V2000
   10.9119    5.6000    0.0000 C   0  0  1  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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  2  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
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9744    2.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 H   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
   10.9119    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   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
   13.3368    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8498    3.7275    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.8498    5.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8498    2.3324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2449    3.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4546    3.7275    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
  1  7  1  0  0  0  0
  8  7  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  1  0  0  0  0
 13  8  1  0  0  0  0
 10 14  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 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  6 21  1  6  0  0  0
  5 22  1  1  0  0  0
 22 23  1  0  0  0  0
  4 24  1  1  0  0  0
  4 25  1  6  0  0  0
  1 26  1  1  0  0  0
 13 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 33  1  6  0  0  0
  9 34  1  6  0  0  0
 11 35  1  6  0  0  0
 15 36  1  6  0  0  0
 16 37  1  1  0  0  0
 17 38  1  6  0  0  0
 18 39  1  1  0  0  0
 19 40  1  6  0  0  0
 40 41  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  2  0  0  0  0
 42 45  1  0  0  0  0
 42 46  1  0  0  0  0
M  END
>  <Mol_ID> (423)
7470

>  <Formula> (423)
C22H45N5O16S

>  <MolWeight> (423)
667.6816

>  <Cat> (423)
S4271

>  <Name> (423)
Isepamicin Sulphate

>  <Synonyms> (423)
Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (423)
Antibiotics,Bacterial

>  <Form> (423)
free base

>  <CAS> (423)
67814-76-0

>  <URL> (423)
http://selleckchem.com/products/isepamicin-sulphate.html

$$$$
s4030.cdx
csChFnd80/08212509252D

 50 45  0  0  0  0  0  0  0  0999 V2000
    1.0873    4.4430    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.6746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0881    2.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7910    2.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9227    3.6746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7910    4.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3697    8.4801    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2817    7.6559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3697    6.8404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0727    6.8404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2043    7.6559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0727    8.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0556    4.0584    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9675    3.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0556    2.4187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7585    2.4187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8902    3.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7585    4.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9227    2.2746    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    5.3697    9.8801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2043    9.0559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0697    8.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9675    4.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0556    1.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8473    0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7585    1.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1108    2.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102    6.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1847    8.3356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1847    6.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1847    9.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7896    8.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5799    8.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3931    6.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3931    4.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1848    4.1234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5502    6.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5502    4.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3420    4.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8811    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30  1  1  0  0  0  0
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 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  1  0  0  0
 44 46  1  0  0  0  0
 45 47  1  0  0  0  0
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> (424)
7477

>  <Formula> (424)
C27H64N7O11R4S

>  <MolWeight> (424)
694.90236

>  <Cat> (424)
S4030

>  <Name> (424)
Gentamicin Sulfate

>  <Synonyms> (424)
NSC-82261, SCH9724

>  <Target> (424)
Antibiotics,Antibiotics for Mammalian Cell Culture,Antibiotics for Plant Cell Culture,Selection Antibiotics for Transfected Cell

>  <Form> (424)
Sulfate

>  <CAS> (424)
1405-41-0

>  <URL> (424)
http://selleckchem.com/products/gentamicin-sulfate.html

$$$$

csChFnd80/08212509252D

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M  END
>  <Mol_ID> (425)
7481

>  <Formula> (425)
C38H42Cl2F4N6O9

>  <MolWeight> (425)
873.6744928

>  <Cat> (425)
S2152

>  <Name> (425)
Sitafloxacin Hydrate

>  <Synonyms> (425)
DU-6859a

>  <Target> (425)
Antibiotics

>  <Form> (425)
1.5 hydrate

>  <CAS> (425)
163253-35-8

>  <URL> (425)
http://selleckchem.com/products/Sitafloxacin(DU-6859A).html

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/08212509252D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (426)
8075

>  <Formula> (426)
C17H20ClF2N3O3

>  <MolWeight> (426)
387.8088064

>  <Cat> (426)
S2539

>  <Name> (426)
Lomefloxacin HCl

>  <Synonyms> (426)
N/A

>  <Target> (426)
Antibiotics

>  <Form> (426)
Hydrochloride

>  <CAS> (426)
98079-52-8

>  <URL> (426)
http://selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

$$$$
Neomycin sulfate.cdx
csChFnd80/08212509252D

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 32 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 37 38  1  6  0  0  0
 35 39  1  6  0  0  0
 34 40  1  6  0  0  0
 36 41  1  1  0  0  0
 40 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 43 47  1  0  0  0  0
M  END
>  <Mol_ID> (427)
8079

>  <Formula> (427)
C23H48N6O17S

>  <MolWeight> (427)
712.72222

>  <Cat> (427)
S2568

>  <Name> (427)
Neomycin sulfate

>  <Synonyms> (427)
Framycin sulfate

>  <Target> (427)
Antibiotics,Antibiotics for Mammalian Cell Culture,Antineoplastic and Immunosuppressive Antibiotics,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (427)
Sulfate

>  <CAS> (427)
28002-70-2 ,1405-10-3

>  <URL> (427)
http://selleckchem.com/products/Neomycin-sulfate.html

$$$$

csChFnd80/08212509252D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9710   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2488   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3877   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (428)
8088

>  <Formula> (428)
C6H13Li3O11

>  <MolWeight> (428)
281.98382

>  <Cat> (428)
S4519

>  <Name> (428)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (428)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (428)
Others

>  <Form> (428)
free base

>  <CAS> (428)
6080-58-6

>  <URL> (428)
http://selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
S3636 Cefadroxil (hydrate).cdx
csChFnd80/08212509252D

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.7837    2.7189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7837    4.1728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0432    2.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241    4.1728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0432    4.8756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1837    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000    1.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    5.0271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1837    4.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4430    2.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1837    0.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9620    4.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    5.1135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9620    3.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    4.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    6.4811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    3.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    5.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    2.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    4.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    3.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8540    5.4649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0648    0.5838    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
  2 26  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
 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  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
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (429)
8090

>  <Formula> (429)
C16H19N3O6S

>  <MolWeight> (429)
381.40356

>  <Cat> (429)
S3636

>  <Name> (429)
Cefadroxil hydrate

>  <Synonyms> (429)
BL-S 578 hydrate

>  <Target> (429)
Antibiotics,Bacterial

>  <Form> (429)
hydrate

>  <CAS> (429)
66592-87-8

>  <URL> (429)
http://selleckchem.com/products/cefadroxil-hydrate.html

$$$$
Besifloxacin HCl.cdx
csChFnd80/08212509252D

 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
    7.4799    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6924    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9048    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9048    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6924    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2675    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0551    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0551    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2675    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6924    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1130    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3213    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1130    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6924    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3924    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9924    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2675    5.5903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8468    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8468    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9515    5.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9252    6.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5408    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8408    5.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.8167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6901    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3262    2.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9584    6.0910    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  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
  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
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
  7 18  1  0  0  0  0
  9 19  1  0  0  0  0
  8 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 20  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  1  0  0  0
M  END
>  <Mol_ID> (430)
8104

>  <Formula> (430)
C19H22Cl2FN3O3

>  <MolWeight> (430)
430.3006832

>  <Cat> (430)
S3055

>  <Name> (430)
Besifloxacin HCl

>  <Synonyms> (430)
N/A

>  <Target> (430)
Antibiotics

>  <Form> (430)
Hydrochloride

>  <CAS> (430)
405165-61-9

>  <URL> (430)
http://selleckchem.com/products/besifloxacin-hci.html

$$$$
Bacitracin.cdx
csChFnd80/08212509252D

 99102  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    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
    1.2124    2.1000    0.0000 C   0  0  2  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
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3490    4.3258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9149    5.6619    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5100    5.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    4.3258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7454   11.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9075    6.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2151    8.6982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6038    8.5206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0897    7.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4697    6.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555    5.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3355    5.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0614    4.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8598    9.4097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9619   10.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7312   10.5054    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.2179   11.8079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6291    8.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9872   11.3945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1231    3.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7561    3.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3344    4.9814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8109    2.6137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7476    4.8051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9589    6.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1693    3.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6928    5.8378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2241    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6458    1.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8571    2.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5779   13.0738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (431)
8106

>  <Formula> (431)
C65H101N17O16S

>  <MolWeight> (431)
1408.66674

>  <Cat> (431)
S4146

>  <Name> (431)
Bacitracin

>  <Synonyms> (431)
N/A

>  <Target> (431)
Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (431)
free base

>  <CAS> (431)
1405-87-4

>  <URL> (431)
http://selleckchem.com/products/bacitracin.html

$$$$

csChFnd80/08212509252D

 39 40  0  0  0  0  0  0  0  0999 V2000
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    8.4001   10.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    8.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3748    9.7022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0648    6.7751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0547    7.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4072    7.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6925    9.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7695    6.0505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7795    5.0604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1418    3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    6.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6001    5.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (432)
8107

>  <Formula> (432)
C18H20N8NaO8S3

>  <MolWeight> (432)
595.58497

>  <Cat> (432)
S4158

>  <Name> (432)
Ceftriaxone disodium salt hemi (heptahydrate)

>  <Synonyms> (432)
N/A

>  <Target> (432)
Antibiotics

>  <Form> (432)
disodium salt hemi

>  <CAS> (432)
104376-79-6

>  <URL> (432)
http://selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/08212509252D

 32 31  0  0  0  0  0  0  0  0999 V2000
    3.6275    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    3.3982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    7.5865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    8.2873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.3927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.4932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  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 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 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
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
M  END
>  <Mol_ID> (433)
8108

>  <Formula> (433)
C18H32ClN3O8P2

>  <MolWeight> (433)
515.862502

>  <Cat> (433)
S4157

>  <Name> (433)
Chloroquine diphosphate

>  <Synonyms> (433)
N/A

>  <Target> (433)
Anti-infection,ATM/ATR,Autophagy,COVID-19,TLR

>  <Form> (433)
diphosphate

>  <CAS> (433)
50-63-5

>  <URL> (433)
http://selleckchem.com/products/chloroquine-phosphate.html

$$$$
Chlortetracycline HCl.cdx
csChFnd80/08212509252D

 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
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    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
    7.2898    8.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    6.5653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6558    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    2.4402    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (434)
8109

>  <Formula> (434)
C22H24Cl2N2O8

>  <MolWeight> (434)
515.34056

>  <Cat> (434)
S4156

>  <Name> (434)
Chlortetracycline HCl (NSC 13252)

>  <Synonyms> (434)
7-Chlorotetracycline HCl, Aureomycin monohydrochloride

>  <Target> (434)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (434)
Hydrochloride

>  <CAS> (434)
64-72-2

>  <URL> (434)
http://selleckchem.com/products/chlortetracycline-hcl.html

$$$$
Enrofloxacin.cdx
csChFnd80/08212509252D

 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
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  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  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
  7 15  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
 16 21  1  0  0  0  0
 22 23  1  0  0  0  0
 19 22  1  0  0  0  0
  8 16  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 26  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
>  <Mol_ID> (435)
8116

>  <Formula> (435)
C19H22FN3O3

>  <MolWeight> (435)
359.3946832

>  <Cat> (435)
S3059

>  <Name> (435)
Enrofloxacin

>  <Synonyms> (435)
BAY-Vp2674, PD160788

>  <Target> (435)
Antibiotics

>  <Form> (435)
free base

>  <CAS> (435)
93106-60-6

>  <URL> (435)
http://selleckchem.com/products/enrofloxacin.html

$$$$
Hygromycin B.cdx
csChFnd80/08212509252D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    3.6331    8.5856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.2856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207   10.6808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.0929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6180    4.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    3.0122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7973    2.2933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0206    2.9741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0426    4.3740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3451    2.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1857    3.6402    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3451    4.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770    2.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    3.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7754    0.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2049    5.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7206    1.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8758    2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.1733    6.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9709    6.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3808    3.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9709    1.2125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3660    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0612    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2709    0.0056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    5.8333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    1.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
  2  8  1  6  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
 12 11  1  1  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 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 17  1  0  0  0  0
 14 21  1  1  0  0  0
 21 22  1  0  0  0  0
 15 23  1  1  0  0  0
 17 24  1  6  0  0  0
 16 25  1  6  0  0  0
 19 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 19  1  0  0  0  0
 30 31  1  6  0  0  0
 29 32  1  1  0  0  0
 28 33  1  1  0  0  0
 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  6  0  0  0
  4 38  1  1  0  0  0
 27 39  1  6  0  0  0
  7 40  1  0  0  0  0
M  END
>  <Mol_ID> (436)
8122

>  <Formula> (436)
C20H37N3O13

>  <MolWeight> (436)
527.52008

>  <Cat> (436)
S2908

>  <Name> (436)
Hygromycin B

>  <Synonyms> (436)
Hygrovetine

>  <Target> (436)
Antibiotics,Antibiotics for Plant Cell Culture,Antineoplastic and Immunosuppressive Antibiotics,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (436)
free base

>  <CAS> (436)
31282-04-9

>  <URL> (436)
http://selleckchem.com/products/hygromycin-b.html

$$$$
Amikacin sulfate.cdx
csChFnd80/08212509252D

 50 50  0  0  0  0  0  0  0  0999 V2000
    7.7009    9.3886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3870   10.6070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2902    9.3886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3676    8.1512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7009   11.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7976   10.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784   10.6070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5977    8.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6817    6.9328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3094   11.8252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0288   11.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   10.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2902    6.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3676    5.6760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9471   13.1775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2726   10.5877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0288   12.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   11.8061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5784    5.6760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6817    4.4578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7591    5.6760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4589   11.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2726    9.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2254   13.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1032   11.8061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2902    4.4578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1870    5.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3676    3.2523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6772   10.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   14.2363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3913   13.0116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4298   10.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784    3.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330    4.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8762   11.2802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415   14.2363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1870   15.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4684   15.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6169   15.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9467    6.1955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3467    6.1955    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.3467    7.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3467    4.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7418    6.1955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5075    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9075    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9075    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9075    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3026    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  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  6  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  1  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 18 12  1  6  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  6  0  0  0
 16 22  1  0  0  0  0
 16 23  1  6  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  1  0  0  0
 20 28  1  1  0  0  0
 20 26  1  0  0  0  0
 22 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  6  0  0  0
 26 33  1  6  0  0  0
 27 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  1  0  0  0
 31 38  1  1  0  0  0
 31 36  1  0  0  0  0
 36 39  1  6  0  0  0
 37 40  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  2  0  0  0  0
 42 45  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  2  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (437)
8124

>  <Formula> (437)
C22H47N5O21S2

>  <MolWeight> (437)
781.75948

>  <Cat> (437)
S3065

>  <Name> (437)
Amikacin disulfate

>  <Synonyms> (437)
BB-K8

>  <Target> (437)
Bacterial

>  <Form> (437)
Sulfate

>  <CAS> (437)
39831-55-5

>  <URL> (437)
http://selleckchem.com/products/amikacin-sulfate.html

$$$$
G-418 sulphate.cdx
csChFnd80/08212509252D

 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
    7.6885    8.5845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7949    9.7952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992   10.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3044    8.5845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3833    7.3811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4983    8.5768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3097   10.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3981   12.1977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6035    7.3705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6044    9.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8223    8.9726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1735    7.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2066    7.3705    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2141    9.7969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8348    8.0165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1480   10.3443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1816    6.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5083    8.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031    6.1521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5135    6.6632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1933    8.4226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017    8.5800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1025    6.1521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2015    4.9425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9402    6.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5219    9.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3961    7.3580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4047    9.7871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3997    4.9348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    9.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020   10.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0015    1.6095    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9566    0.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0822    0.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9221    2.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167    2.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3454    1.0558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3846    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4486    1.9338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    1.9338    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  6  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  9  1  1  0  0  0
  4  8  1  0  0  0  0
  5 10  1  6  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  1  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  0  0  0  0
 14 19  1  6  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  6  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  6  0  0  0
 21 26  1  1  0  0  0
 21 27  1  6  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  1  0  0  0
 24 31  1  1  0  0  0
 24 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (438)
8125

>  <Formula> (438)
C20H44N4O18S2

>  <MolWeight> (438)
692.70936

>  <Cat> (438)
S3028

>  <Name> (438)
Geneticin (G418 Sulfate)

>  <Synonyms> (438)
N/A

>  <Target> (438)
Antibiotics,Antibiotics for Plant Cell Culture,Antineoplastic and Immunosuppressive Antibiotics,Selection Antibiotics for Transfected Cell

>  <Form> (438)
Disulfate

>  <CAS> (438)
108321-42-2

>  <URL> (438)
http://selleckchem.com/products/geneticin-g418-sulfate.html

$$$$
Sarafloxacin hydrochloride.cdx
csChFnd80/08212509252D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4165    8.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.1688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.1712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.7712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    8.9663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.5785    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6970    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  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  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  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 11  1  0  0  0  0
  9 17  1  0  0  0  0
  6 18  2  0  0  0  0
  1 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 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
M  END
>  <Mol_ID> (439)
8128

>  <Formula> (439)
C20H18ClF2N3O3

>  <MolWeight> (439)
421.8250264

>  <Cat> (439)
S1977

>  <Name> (439)
Sarafloxacin HCl

>  <Synonyms> (439)
A-56620 HCl

>  <Target> (439)
Antibiotics

>  <Form> (439)
Hydrochloride

>  <CAS> (439)
91296-87-6

>  <URL> (439)
http://selleckchem.com/products/sarafloxacin-hydrochloride.html

$$$$
Tobramycin.cdx
csChFnd80/08212509252D

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    1.5827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4728    1.8052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    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  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9  5  1  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
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  1  0  0  0
 14 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 15  1  0  0  0  0
  6 21  1  1  0  0  0
  2 22  1  1  0  0  0
 15 23  1  1  0  0  0
 19 24  1  1  0  0  0
 17 25  1  1  0  0  0
  3 26  1  6  0  0  0
  5 27  1  6  0  0  0
  7 28  1  6  0  0  0
 11 29  1  6  0  0  0
 13 30  1  6  0  0  0
 20 31  1  6  0  0  0
 18 32  1  6  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
M  END
>  <Mol_ID> (440)
8132

>  <Formula> (440)
C18H37N5O9

>  <MolWeight> (440)
467.51448

>  <Cat> (440)
S2514

>  <Name> (440)
Tobramycin

>  <Synonyms> (440)
NSC 180514,Deoxykanamycin B, Nebramycin Factor 6

>  <Target> (440)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (440)
free base

>  <CAS> (440)
32986-56-4

>  <URL> (440)
http://selleckchem.com/products/Tobramycin(free-base).html

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/08212509252D

107115  0  0  0  0  0  0  0  0999 V2000
    1.2082   18.0736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082   16.6736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207   15.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   16.6736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331   18.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   18.7736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   18.7712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   19.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   15.9761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   14.5761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289   13.8761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289   12.4761    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413   11.7761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3060   14.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9412   13.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9412   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1494   11.8806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2997    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7245    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2228    8.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 76 57  1  0  0  0  0
 72 93  1  6  0  0  0
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M  END
>  <Mol_ID> (441)
8133

>  <Formula> (441)
C66H76Cl3N9O24

>  <MolWeight> (441)
1485.71454

>  <Cat> (441)
S2575

>  <Name> (441)
Vancomycin HCl

>  <Synonyms> (441)
N/A

>  <Target> (441)
Bacterial

>  <Form> (441)
HCl

>  <CAS> (441)
1404-93-9

>  <URL> (441)
http://selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

$$$$
RELENZA (zanamivir).cdx
csChFnd80/08212509252D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.2049    3.6415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6097    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3122    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6097    6.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5024    4.8582    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7122    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4049    8.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2073    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5073    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073    7.2915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  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  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 16  1  1  0  0  0
 16 17  1  0  0  0  0
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  1 20  1  6  0  0  0
 20 21  1  0  0  0  0
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 21 23  1  0  0  0  0
  5 24  1  1  0  0  0
M  END
>  <Mol_ID> (442)
8134

>  <Formula> (442)
C12H20N4O7

>  <MolWeight> (442)
332.3098

>  <Cat> (442)
S3007

>  <Name> (442)
Zanamivir

>  <Synonyms> (442)
GG167,GR 121167X

>  <Target> (442)
Influenza Virus,Neuraminidase

>  <Form> (442)
free base

>  <CAS> (442)
139110-80-8

>  <URL> (442)
http://selleckchem.com/products/zanamivir-relenza.html

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/08212509252D

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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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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
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 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> (443)
8135

>  <Formula> (443)
C11H11N3O2S

>  <MolWeight> (443)
249.28894

>  <Cat> (443)
S1617

>  <Name> (443)
Sulfapyridine

>  <Synonyms> (443)
N/A

>  <Target> (443)
Bacterial

>  <Form> (443)
free base

>  <CAS> (443)
144-83-2

>  <URL> (443)
http://selleckchem.com/products/Sulfapyridine(Dagenan).html

$$$$
netilmicin sulfate.cdx
csChFnd80/08212509252D

 91 90  0  0  0  0  0  0  0  0999 V2000
    4.0125   20.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0014   17.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1099   20.8023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9473   16.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7087   15.9431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1654   22.2012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   16.1307    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6663   16.8790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6871   11.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6815    7.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4449    8.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0936    4.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8551    4.0162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3117   10.2744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8126    4.9522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    4.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7032    2.1453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9461    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1305    2.0536    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  1  0  0  0  0
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M  END
>  <Mol_ID> (444)
8141

>  <Formula> (444)
C42H92N10O34S5

>  <MolWeight> (444)
1441.55148

>  <Cat> (444)
S4052

>  <Name> (444)
Netilmicin Sulfate

>  <Synonyms> (444)
N/A

>  <Target> (444)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (444)
Sulfate

>  <CAS> (444)
56391-57-2

>  <URL> (444)
http://selleckchem.com/products/netilmicin-sulfate.html

$$$$
Terbutaline sulfate.cdx
csChFnd80/08212509252D

 37 36  0  0  0  0  0  0  0  0999 V2000
    8.9399   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274   11.2317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1566   11.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1566    8.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (445)
8146

>  <Formula> (445)
C24H40N2O10S

>  <MolWeight> (445)
548.6468

>  <Cat> (445)
S4127

>  <Name> (445)
Terbutaline Sulfate

>  <Synonyms> (445)
Terbutaline hemisulfate

>  <Target> (445)
Adrenergic Receptor

>  <Form> (445)
Sulfate

>  <CAS> (445)
23031-32-5

>  <URL> (445)
http://selleckchem.com/products/terbutaline-sulfate.html

$$$$
Camptothecine.cdx
csChFnd80/08212509252D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    2.4207    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1741    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6047    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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
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 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  1  1  0  0  0
 16 17  1  0  0  0  0
  3 18  1  6  0  0  0
 12 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 13  1  0  0  0  0
 20 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (446)
8153

>  <Formula> (446)
C20H16N2O4

>  <MolWeight> (446)
348.35204

>  <Cat> (446)
S1288

>  <Name> (446)
Camptothecin (NSC-100880)

>  <Synonyms> (446)
CPT, Campathecin, (S)-(+)-Camptothecin

>  <Target> (446)
ADC Cytotoxin,Apoptosis related,MicroRNA,Topoisomerase

>  <Form> (446)
Free Base

>  <CAS> (446)
7689-03-4

>  <URL> (446)
http://selleckchem.com/products/Camptothecine.html

$$$$
Danofloxacin mesylate.cdx
csChFnd80/08212509252D

 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
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    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
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   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
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    1.6723    6.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3641    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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
 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
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 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> (447)
8156

>  <Formula> (447)
C20H24FN3O6S

>  <MolWeight> (447)
453.4844632

>  <Cat> (447)
S3058

>  <Name> (447)
Danofloxacin Mesylate

>  <Synonyms> (447)
CP-76136-27

>  <Target> (447)
Bacterial

>  <Form> (447)
Mesylate

>  <CAS> (447)
119478-55-6

>  <URL> (447)
http://selleckchem.com/products/danofloxacin-mesylate.html

$$$$
Cefoselis sulfate.cdx
csChFnd80/08212509252D

 41 43  0  0  0  0  0  0  0  0999 V2000
    7.7116    6.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7216    5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0840    3.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4262    2.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4162    3.5638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4262    1.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6344    5.2513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8113    3.5638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5089    2.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8113    1.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9040    2.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6016    1.1473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6016    3.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9967    1.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6943    2.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9939    3.7101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2850    5.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (448)
8160

>  <Formula> (448)
C19H24N8O10S3

>  <MolWeight> (448)
620.63646

>  <Cat> (448)
S1371

>  <Name> (448)
Cefoselis Sulfate

>  <Synonyms> (448)
FK 037 Sulfate

>  <Target> (448)
Antibiotics

>  <Form> (448)
Sulfate

>  <CAS> (448)
122841-12-7

>  <URL> (448)
http://selleckchem.com/products/Cefoselis-sulfate.html

$$$$
Marbofloxacin.cdx
csChFnd80/08212509252D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.1743    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 20  2  0  0  0  0
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 25 12  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (449)
8162

>  <Formula> (449)
C17H19FN4O4

>  <MolWeight> (449)
362.3555632

>  <Cat> (449)
S1464

>  <Name> (449)
Marbofloxacin

>  <Synonyms> (449)
N/A

>  <Target> (449)
Topoisomerase

>  <Form> (449)
free base

>  <CAS> (449)
115550-35-1

>  <URL> (449)
http://selleckchem.com/products/Marbofloxacin.html

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/08212509252D

 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 C   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
    7.2704    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8976    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    6.2927    0.0000 O   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
    8.4828    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 F   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 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
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (450)
8164

>  <Formula> (450)
C16H18FN3O3

>  <MolWeight> (450)
319.3308232

>  <Cat> (450)
S1509

>  <Name> (450)
Norfloxacin

>  <Synonyms> (450)
MK-0366

>  <Target> (450)
Topoisomerase

>  <Form> (450)
free base

>  <CAS> (450)
70458-96-7

>  <URL> (450)
http://selleckchem.com/products/Norfloxacin(Norxacin).html

$$$$
Amikacin hydrate.cdx
csChFnd80/08212509252D

 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
    3.3446    2.8024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5612    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7779    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7779    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5612    4.9098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1321    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1321    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2028    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9945    3.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2028    2.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4194    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6361    2.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6361    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4194    4.9098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8485    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4194    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8485    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0609    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0609    4.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4858    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6982    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9107    2.8024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8199    9.9430    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8199    8.5382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0366    7.8357    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.2532    8.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2532    9.9430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0366   10.6455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4657   10.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6075   10.6430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0366   12.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6075    7.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4657   12.0430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   22.8016    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.8016    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
  1  7  1  6  0  0  0
  3  8  1  6  0  0  0
  6  9  1  1  0  0  0
  2 10  1  1  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 13 12  1  1  0  0  0
  5 14  1  6  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  1  0  0  0  0
 19 13  1  0  0  0  0
 18 20  1  1  0  0  0
 15 21  1  6  0  0  0
 19 22  1  6  0  0  0
 17 23  1  6  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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 35 37  1  1  0  0  0
 31 38  1  1  0  0  0
 36 39  1  6  0  0  0
 32 40  1  6  0  0  0
 37 41  1  0  0  0  0
 20 33  1  0  0  0  0
A   42
R
M  END
>  <Mol_ID> (451)
8168

>  <Formula> (451)
C22H45N5O14R

>  <MolWeight> (451)
603.6178

>  <Cat> (451)
S3122

>  <Name> (451)
Amikacin hydrate

>  <Synonyms> (451)
BAY416651 hydrate

>  <Target> (451)
Antibiotics,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (451)
Hydrate

>  <CAS> (451)
1257517-67-1

>  <URL> (451)
http://selleckchem.com/products/amikacin-hydrate.html

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/08212509252D

 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> (452)
8170

>  <Formula> (452)
C19H20N3NaO6S

>  <MolWeight> (452)
441.43337

>  <Cat> (452)
S2563

>  <Name> (452)
Oxacillin sodium monohydrate

>  <Synonyms> (452)
Methicillin

>  <Target> (452)
Antibiotics,Bacterial

>  <Form> (452)
Sodium Salt & hydrate

>  <CAS> (452)
7240-38-2

>  <URL> (452)
http://selleckchem.com/products/Oxacillin-sodium-monohydrate.html

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/08212509252D

  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> (453)
8175

>  <Formula> (453)
C3H6N2O2

>  <MolWeight> (453)
102.09194

>  <Cat> (453)
S1998

>  <Name> (453)
D-Cycloserine

>  <Synonyms> (453)
RO-1-9213

>  <Target> (453)
Antibiotics,Selection Antibiotics for Transfected Cell

>  <Form> (453)
free base

>  <CAS> (453)
68-41-7

>  <URL> (453)
http://selleckchem.com/products/D-Cycloserine.html

$$$$
Itraconazole.cdx
csChFnd80/08212509252D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6321    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5589    4.1158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7360    5.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    4.8158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4045    3.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360    2.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    3.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.1146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.8096    8.5373    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
  3  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
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 13  7  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 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
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  6  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
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 36 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
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 48 49  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (454)
8188

>  <Formula> (454)
C35H38Cl2N8O4

>  <MolWeight> (454)
705.63342

>  <Cat> (454)
S2476

>  <Name> (454)
Itraconazole?(R 51211)

>  <Synonyms> (454)
R 51211

>  <Target> (454)
Autophagy,Fungal,Hedgehog/Smoothened,P450 (e.g. CYP17)

>  <Form> (454)
free base

>  <CAS> (454)
84625-61-6

>  <URL> (454)
http://selleckchem.com/products/Itraconazole(Sporanox).html

$$$$
Methacycline hydrochloride.cdx
csChFnd80/08212509252D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.4770    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 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
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 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> (455)
8191

>  <Formula> (455)
C22H23ClN2O8

>  <MolWeight> (455)
478.87962

>  <Cat> (455)
S2527

>  <Name> (455)
Methacycline HCl

>  <Synonyms> (455)
Rondomycin

>  <Target> (455)
Antibiotics

>  <Form> (455)
Hydrochloride

>  <CAS> (455)
3963-95-9

>  <URL> (455)
http://selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

$$$$
7-Aminocephalosporanic acid.cdx
csChFnd80/08212509252D

 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
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    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
    8.4361    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6443    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4361    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  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> (456)
8192

>  <Formula> (456)
C10H12N2O5S

>  <MolWeight> (456)
272.27768

>  <Cat> (456)
S2530

>  <Name> (456)
7-Aminocephalosporanic acid

>  <Synonyms> (456)
N/A

>  <Target> (456)
Antibiotics

>  <Form> (456)
Free Base

>  <CAS> (456)
957-68-6

>  <URL> (456)
http://selleckchem.com/products/7-Aminocephalosporanic-acid.html

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/08212509252D

 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
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   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
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   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
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    5.7241    8.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   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
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    1.4049   10.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9594    1.5627    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5651    7.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0180    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0180    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6180    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4180    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1904    7.9196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.7056    8.1079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   28.0056    9.3204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2361    6.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1848    5.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   32.1963    9.8522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.6006    9.3204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.9774    4.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9415   11.2647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   33.5114    9.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9241   10.4773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.9572    8.1262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (457)
8196

>  <Formula> (457)
C42H88N14O36S3

>  <MolWeight> (457)
1461.41532

>  <Cat> (457)
S4523

>  <Name> (457)
Dihydrostreptomycin sulfate

>  <Synonyms> (457)
N/A

>  <Target> (457)
Antibiotics,Antibiotics for Mammalian Cell Culture,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (457)
Sulfate

>  <CAS> (457)
5490-27-7

>  <URL> (457)
http://selleckchem.com/products/dihydrostreptomycin-sulfate.html

$$$$
Sisomicin sulfate.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (458)
8199

>  <Formula> (458)
C38H84N10O34S5

>  <MolWeight> (458)
1385.44516

>  <Cat> (458)
S4540

>  <Name> (458)
Sisomicin sulfate

>  <Synonyms> (458)
N/A

>  <Target> (458)
Antibiotics

>  <Form> (458)
Sulfate

>  <CAS> (458)
53179-09-2

>  <URL> (458)
http://selleckchem.com/products/sisomicin-sulfate.html

$$$$
S4671 Cefradine.cdx
csChFnd80/08212509252D

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   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> (459)
8206

>  <Formula> (459)
C16H19N3O4S

>  <MolWeight> (459)
349.40476

>  <Cat> (459)
S4671

>  <Name> (459)
Cefradine

>  <Synonyms> (459)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (459)
Antibiotics

>  <Form> (459)
free base

>  <CAS> (459)
38821-53-3

>  <URL> (459)
http://selleckchem.com/products/cefradine.html

$$$$
Kanamycin sulfate.cdx
csChFnd80/08212509252D

 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
    1.2082    5.9451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.2451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    5.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.0451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    8.4786    7.3427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    8.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    5.2427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.2427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3284    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3284    7.3427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1159    8.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    8.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    3.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    5.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  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  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  1  0  0  0
 15 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 16  1  0  0  0  0
  6 22  1  1  0  0  0
  2 23  1  1  0  0  0
 16 24  1  1  0  0  0
 20 25  1  1  0  0  0
 18 26  1  1  0  0  0
  1 27  1  6  0  0  0
  5 28  1  6  0  0  0
  3 29  1  6  0  0  0
  9 30  1  6  0  0  0
 19 31  1  6  0  0  0
 21 32  1  6  0  0  0
 26 33  1  0  0  0  0
 29 34  1  0  0  0  0
 13 35  1  6  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
>  <Mol_ID> (460)
8207

>  <Formula> (460)
C18H38N4O15S

>  <MolWeight> (460)
582.57712

>  <Cat> (460)
S2315

>  <Name> (460)
Kanamycin sulfate

>  <Synonyms> (460)
Kanamycin monosulfate, Ophtalmokalixan

>  <Target> (460)
Antibiotics,Antibiotics for Mammalian Cell Culture,Antibiotics for Plant Cell Culture,Selection Antibiotics for Transfected Cell

>  <Form> (460)
sulfate

>  <CAS> (460)
25389-94-0

>  <URL> (460)
http://selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/08212509252D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.4711    2.8060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4570    4.2181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7887    2.4183    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0892    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0764    4.2050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7663    4.6507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6522    3.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2409    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0992    1.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    5.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6887    2.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6422    4.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6286    0.8965    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7248    4.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7349    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3947    3.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3720    5.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 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> (461)
8229

>  <Formula> (461)
C16H17KN2O5S

>  <MolWeight> (461)
388.47988

>  <Cat> (461)
S3650

>  <Name> (461)
Penicillin V potassium salt

>  <Synonyms> (461)
Phenoxymethylpenicillin potassium salt

>  <Target> (461)
Antibiotics,Bacterial

>  <Form> (461)
potassium salt

>  <CAS> (461)
132-98-9

>  <URL> (461)
http://selleckchem.com/products/penicillin-v-potassium-salt.html

$$$$
S3667 Imipenem.cdx
csChFnd80/08212509252D

 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
    6.6532    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1196    1.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0800    3.4929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7788    4.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1849    4.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0118    5.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    5.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
 13 14  1  0  0  0  0
 16 17  2  0  0  0  0
 15 16  1  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  3 12  1  0  0  0  0
 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> (462)
8231

>  <Formula> (462)
C12H19N3O5S

>  <MolWeight> (462)
317.36136

>  <Cat> (462)
S3667

>  <Name> (462)
Imipenem

>  <Synonyms> (462)
N/A

>  <Target> (462)
¦Â-lactamase

>  <Form> (462)
hydrate

>  <CAS> (462)
74431-23-5

>  <URL> (462)
http://selleckchem.com/products/imipenem.html

$$$$
S3649 Ceftazidime.cdx
csChFnd80/08212509252D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.3974    7.9637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3919    6.5588    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1185    8.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7295    7.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7200    6.5516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1139    5.8748    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9214    7.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1185   10.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7194    8.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    5.5617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    6.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7089    8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3262   10.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9013   10.7808    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.0617    5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4959    7.9724    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.0517    4.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4241    7.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5109    6.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2952    8.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6893    3.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4040    5.2891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    5.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4205    3.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5234    2.4907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7663    6.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146    6.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4609    1.6105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7675    1.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1186    7.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2938    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1086    6.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4609    6.3762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7462    4.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269    8.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2654    7.8068    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  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  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
 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> (463)
8232

>  <Formula> (463)
C22H22N6O7S2

>  <MolWeight> (463)
546.57608

>  <Cat> (463)
S3649

>  <Name> (463)
Ceftazidime

>  <Synonyms> (463)
GR20263

>  <Target> (463)
Anti-infection,Selection Antibiotics for Transfected Cell

>  <Form> (463)
inner salt

>  <CAS> (463)
72558-82-8

>  <URL> (463)
http://selleckchem.com/products/ceftazidime.html

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/08212509252D

 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
    4.8497    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Na  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  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
    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> (464)
8260

>  <Formula> (464)
C14H11N4NaO2S

>  <MolWeight> (464)
322.31751

>  <Cat> (464)
S5031

>  <Name> (464)
Sulfaquinoxaline sodium

>  <Synonyms> (464)
SQ-Na

>  <Target> (464)
Parasite

>  <Form> (464)
sodium salt

>  <CAS> (464)
967-80-6

>  <URL> (464)
http://selleckchem.com/products/sulfaquinoxaline-sodium.html

$$$$
S5035 6-AMinopenicillanic acid.cdx
csChFnd80/08212509252D

 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> (465)
8270

>  <Formula> (465)
C8H12N2O3S

>  <MolWeight> (465)
216.25748

>  <Cat> (465)
S5035

>  <Name> (465)
6-Aminopenicillanic acid

>  <Synonyms> (465)
N/A

>  <Target> (465)
Antibiotics

>  <Form> (465)
free base

>  <CAS> (465)
551-16-6

>  <URL> (465)
http://selleckchem.com/products/6-aminopenicillanic-acid.html

$$$$
S5048 Fosfomycin Disodium.cdx
csChFnd80/08212509252D

 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> (466)
8271

>  <Formula> (466)
C3H5Na2O4P

>  <MolWeight> (466)
182.022701

>  <Cat> (466)
S5048

>  <Name> (466)
Fosfomycin Disodium

>  <Synonyms> (466)
Phosphonemycin Disodium

>  <Target> (466)
Antibiotics,Bacterial

>  <Form> (466)
sodium

>  <CAS> (466)
26016-99-9

>  <URL> (466)
http://selleckchem.com/products/fosfomycin-disodium.html

$$$$
S5051 Pipemidic acid.cdx
csChFnd80/08212509252D

 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> (467)
8272

>  <Formula> (467)
C14H17N5O3

>  <MolWeight> (467)
303.31648

>  <Cat> (467)
S5051

>  <Name> (467)
Pipemidic acid

>  <Synonyms> (467)
Acido pipemidico

>  <Target> (467)
Antibiotics,Bacterial

>  <Form> (467)
free base

>  <CAS> (467)
51940-44-4

>  <URL> (467)
http://selleckchem.com/products/pipemidic-acid.html

$$$$
S5296 Cephradine monohydrate.cdx
csChFnd80/08212509252D

 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
    8.4299    5.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953    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  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  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
  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> (468)
8276

>  <Formula> (468)
C16H21N3O5S

>  <MolWeight> (468)
367.42004

>  <Cat> (468)
S5296

>  <Name> (468)
Cephradine monohydrate

>  <Synonyms> (468)
N/A

>  <Target> (468)
Antibiotics,Bacterial

>  <Form> (468)
hydrate

>  <CAS> (468)
75975-70-1

>  <URL> (468)
http://selleckchem.com/products/cephradine-monohydrate.html

$$$$
S4986 Latamoxef sodium.cdx
csChFnd80/08212509252D

 39 40  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4873    7.7057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0662    7.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4873    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5493    8.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4677    2.7943    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  6  0  0  0
  6 18  1  0  0  0  0
  7  2  1  0  0  0  0
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  9  6  2  0  0  0  0
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 14  4  1  0  0  0  0
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  1 23  1  1  0  0  0
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 25 16  1  0  0  0  0
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  3  2  1  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> (469)
8318

>  <Formula> (469)
C20H18N6Na2O9S

>  <MolWeight> (469)
564.43626

>  <Cat> (469)
S4986

>  <Name> (469)
Latamoxef sodium

>  <Synonyms> (469)
Moxalactam Disodium, FestamoxinLy, Shiomarin, Ly 127935, 6059 S

>  <Target> (469)
Antibiotics,Bacterial

>  <Form> (469)
Sodium

>  <CAS> (469)
64953-12-4

>  <URL> (469)
https://www.selleckchem.com/products/latamoxef-sodium.html

$$$$
S5533 Tobramycin sulfate.cdx
csChFnd80/08212509252D

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M  END
>  <Mol_ID> (470)
8349

>  <Formula> (470)
C36H84N10O38S5

>  <MolWeight> (470)
1425.42136

>  <Cat> (470)
S5533

>  <Name> (470)
Tobramycin sulfate

>  <Target> (470)
Antibiotics,Bacterial

>  <Form> (470)
free base

>  <CAS> (470)
49842-07-1

>  <URL> (470)
https://www.selleckchem.com/products/tobramycin-sulfate.html

$$$$
S5601 Balofloxacin Dihydrate.cdx
csChFnd80/08212509252D

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   22.6018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3267    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3267    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5392    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9018    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4772    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2647    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0522    5.4124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.0522    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0522    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8398    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6275    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6275    2.6124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.8398    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4151    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2026    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   20.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 18 19  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
  8 14  1  0  0  0  0
  7 17  2  0  0  0  0
  6 18  1  0  0  0  0
  2 20  1  0  0  0  0
  1 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 21  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (471)
8353

>  <Formula> (471)
C20H28FN3O6

>  <MolWeight> (471)
425.4512232

>  <Cat> (471)
S5601

>  <Name> (471)
Balofloxacin Dihydrate

>  <Synonyms> (471)
Neuroquinoron

>  <Target> (471)
Antibiotics

>  <Form> (471)
free base

>  <CAS> (471)
151060-21-8

>  <URL> (471)
https://www.selleckchem.com/products/balofloxacin-dihydrate.html

$$$$

csChFnd80/08212509252D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    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
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
M  END
>  <Mol_ID> (472)
8404

>  <Formula> (472)
C4H9NO2

>  <MolWeight> (472)
103.11976

>  <Cat> (472)
S6270

>  <Name> (472)
2-Aminoisobutyric acid

>  <Synonyms> (472)
NSC-16590, 2-Methylalanine, H-Aib-OH

>  <Target> (472)
Fungal

>  <Form> (472)
free base

>  <CAS> (472)
62-57-7

>  <URL> (472)
http://www.selleck.cn/products/nsc-16590.html

$$$$

csChFnd80/08212509252D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6879    0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0049    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
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  3 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 16  1  0  0  0  0
 16 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  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 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (473)
8415

>  <Formula> (473)
C18H20FN3O4

>  <MolWeight> (473)
361.3675032

>  <Cat> (473)
S1463

>  <Name> (473)
Ofloxacin

>  <Synonyms> (473)
DL8280

>  <Target> (473)
Topoisomerase

>  <Form> (473)
Free Base

>  <CAS> (473)
82419-36-1

>  <URL> (473)
http://www.selleck.cn/products/Ofloxacin(Floxin).html

$$$$

csChFnd80/08212509252D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.8517    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0696    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    1.3966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4226    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    3.4985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.0968    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7064    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    3.4985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8005    0.0000 N   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (474)
9687

>  <Formula> (474)
C6H9N3O3

>  <MolWeight> (474)
171.15396

>  <Cat> (474)
S8620

>  <Name> (474)
6-Diazo-5-oxo-L-norleucine

>  <Synonyms> (474)
Diazooxonorleucine, 6-Diazo-5-oxo-L-nor-Leucine, L-6-Diazo-5-oxonorleucine, DON

>  <Target> (474)
Glutaminase

>  <Form> (474)
free base

>  <CAS> (474)
157-03-9

>  <URL> (474)
http://www.selleckchem.com/products/6-diazo-5-oxo-l-norleucine.html

$$$$

csChFnd80/08212509252D

 36 37  0  0  0  0  0  0  0  0999 V2000
   13.6989    5.2629    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.2615    4.6325    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   15.5689    6.5761    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.4445    6.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129    5.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8649    6.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4209    5.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9769    4.6914    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.2704    6.5409    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.1273    3.9848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5502    4.3374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5502    2.9374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3378    2.2374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1253    2.9374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8749    4.7640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8749    2.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378    5.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    3.6374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1253    4.3374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8513    2.2278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3602    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5502    5.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031    0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8401    0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0088    5.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0919    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2868    5.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2152    0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378    3.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1146    1.5375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793    3.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    1.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
 16  4  1  6  0  0  0
 20  5  1  1  0  0  0
  6 26  2  0  0  0  0
  7 30  1  0  0  0  0
  8 32  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 23  1  1  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 27  1  6  0  0  0
 21 25  1  0  0  0  0
 21 28  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 29  2  0  0  0  0
 26 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 31 32  1  0  0  0  0
 14 33  1  1  0  0  0
 15 34  1  6  0  0  0
 21 35  1  1  0  0  0
 13 36  1  6  0  0  0
M  END
>  <Mol_ID> (475)
9727

>  <Formula> (475)
C22H28FNa2O8P

>  <MolWeight> (475)
516.4046242

>  <Cat> (475)
S5956

>  <Name> (475)
Dexamethasone phosphate disodium

>  <Synonyms> (475)
DEX, Dexacort, Decadron, Dexair, Hexadrol, Maxidex, Dexamethasone 21-phosphate disodium salt

>  <Target> (475)
Glucocorticoid Receptor

>  <Form> (475)
Disodium

>  <CAS> (475)
2392-39-4

>  <URL> (475)
http://www.selleckchem.com/products/dexamethasone-phosphate-disodium.html

$$$$

csChFnd80/08212509252D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.8721    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.5100    8.3863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2195    6.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9990    8.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5261    4.0893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5100    2.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1959    1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 25  1  0  0  0  0
  3 15  1  0  0  0  0
  3 28  1  0  0  0  0
  4 23  2  0  0  0  0
  5 27  1  0  0  0  0
  6 27  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 22  2  0  0  0  0
 15 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  2  0  0  0  0
 17 25  2  0  0  0  0
 18 19  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (476)
9735

>  <Formula> (476)
C19H23ClFN3O4

>  <MolWeight> (476)
411.8550232

>  <Cat> (476)
S5964

>  <Name> (476)
Gatifloxacin hydrochloride

>  <Synonyms> (476)
AM-1155 hydrochloride, CG5501 hydrochloride, BMS-206584 hydrochloride, PD135432 hydrochloride

>  <Target> (476)
Topoisomerase

>  <Form> (476)
Hydrochloride

>  <CAS> (476)
121577-32-0

>  <URL> (476)
http://www.selleckchem.com/products/gatifloxacin-hydrochloride.html

$$$$

csChFnd80/08212509252D

 45 46  0  0  0  0  0  0  0  0999 V2000
    8.3932    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   10.3544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    7.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625    7.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    7.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0626   10.3544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0626    5.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   15.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625    5.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   12.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7884    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9981    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3932    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3932    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   12.7793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624   10.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4626    7.9294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9624   16.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   10.3544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7624    9.1419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1625   11.5668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1625    9.1419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0624   10.3544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7624   11.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9625    9.1419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    7.2293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3625    9.1419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0626    7.9294    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8498    5.8293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3625    6.7169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    5.1293    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9625    6.7169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    5.8293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    7.2293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1625   13.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    5.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    7.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7624   13.9918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0624   15.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624   15.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  2  0  0  0  0
  1 18  2  0  0  0  0
 24  2  1  6  0  0  0
 30  2  1  6  0  0  0
 25  3  1  6  0  0  0
 31  3  1  6  0  0  0
 27  4  1  1  0  0  0
  5 30  1  0  0  0  0
  5 37  1  0  0  0  0
  6 31  1  0  0  0  0
  6 39  1  0  0  0  0
 32  7  1  6  0  0  0
 34  8  1  6  0  0  0
 35  9  1  6  0  0  0
 36 10  1  1  0  0  0
 38 11  1  6  0  0  0
 12 40  2  0  0  0  0
 13 41  1  0  0  0  0
 43 14  1  6  0  0  0
 26 19  1  1  0  0  0
 19 40  1  0  0  0  0
 28 20  1  1  0  0  0
 33 21  1  1  0  0  0
 22 42  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 29  1  0  0  0  0
 30 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 41  1  1  0  0  0
 38 39  1  0  0  0  0
 39 42  1  1  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (477)
9739

>  <Formula> (477)
C22H45N5O17S

>  <MolWeight> (477)
683.681

>  <Cat> (477)
S5330

>  <Name> (477)
Amikacin Sulfate Salt

>  <Synonyms> (477)
BAY 41-6551 sulfate

>  <Target> (477)
Antibiotics,Bacterial

>  <Form> (477)
Sulfate Salt

>  <CAS> (477)
149022-22-0

>  <URL> (477)
http://www.selleckchem.com/products/amikacin-sulfate-salt.html

$$$$

csChFnd80/08212509252D

 28 27  0  0  0  0  0  0  0  0999 V2000
   12.4784    5.1756    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    7.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   10.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.9003    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    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4266    3.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    8.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    8.4002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0623    9.8002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    9.8002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2747   10.5002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0623    5.6001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8498    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    5.6001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    6.3001    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  2  1  1  0  0  0
 21  2  1  6  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
 16  4  1  6  0  0  0
 17  5  1  6  0  0  0
 18  6  1  1  0  0  0
 19  7  1  6  0  0  0
 20  8  1  1  0  0  0
  9 28  1  0  0  0  0
 10 28  2  0  0  0  0
 22 12  1  1  0  0  0
 24 13  1  6  0  0  0
 13 27  1  0  0  0  0
 14 27  2  0  0  0  0
 15 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
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (478)
9743

>  <Formula> (478)
C14H28ClN3O10

>  <MolWeight> (478)
433.83922

>  <Cat> (478)
S5968

>  <Name> (478)
Kasugamycin hydrochloride hydrate

>  <Synonyms> (478)
Ksg hydrochloride hydrate

>  <Target> (478)
Antibiotics

>  <Form> (478)
Hydrochloride hydrate

>  <CAS> (478)
200132-83-8

>  <URL> (478)
http://www.selleckchem.com/products/kasugamycin-hydrochloride-hydrate.html

$$$$

csChFnd80/08212509252D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2154    2.7934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4299    2.0923    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6303    2.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    4.2036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4204    4.9021    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2042    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8449    4.9048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    4.2050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0571    2.8128    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2750    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4883    2.8101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4883    4.2110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2759    4.9110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7006    4.9109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9151    4.2097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1271    4.9095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3444    4.2066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3444    2.8002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1251    2.0962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9106    2.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    6.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    2.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    6.3112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    2.1129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6988    2.1112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1271    6.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    2.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1251    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5502    4.9028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3300    0.0097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8443    3.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9151    5.6115    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
  4  7  1  0  0  0  0
  8  7  1  6  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  8  1  0  0  0  0
 12 14  1  6  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 15  1  0  0  0  0
  6 21  1  6  0  0  0
  5 22  1  1  0  0  0
  1 23  1  1  0  0  0
 13 24  1  1  0  0  0
  9 25  1  1  0  0  0
 11 26  1  1  0  0  0
 16 27  1  6  0  0  0
 18 28  1  6  0  0  0
  2 29  1  6  0  0  0
 19 30  1  1  0  0  0
 17 31  1  1  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
  4 34  1  6  0  0  0
 15 35  1  1  0  0  0
M  END
>  <Mol_ID> (479)
9750

>  <Formula> (479)
C18H37N5O10

>  <MolWeight> (479)
483.51388

>  <Cat> (479)
S4383

>  <Name> (479)
Bekanamycin

>  <Synonyms> (479)
Kanamycin B

>  <Target> (479)
Others

>  <Form> (479)
Free Base

>  <CAS> (479)
4696-76-8

>  <URL> (479)
http://www.selleckchem.com/products/bekanamycin.html

$$$$

csChFnd80/08212509252D

 96102  0  0  0  0  0  0  0  0999 V2000
   10.3794   20.8580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0939   20.1385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6068   20.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3794   22.2576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9474   20.8431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0939   18.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8181   19.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0939   23.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6068   23.0360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7047   20.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9474   22.2576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8181   17.9845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0626   20.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5342   19.4838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7047   23.0028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6068   17.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (480)
9778

>  <Formula> (480)
C60H123N15O21

>  <MolWeight> (480)
1390.70652

>  <Cat> (480)
S6289

>  <Name> (480)
Gentamicin

>  <Target> (480)
Antiviral

>  <Form> (480)
free base

>  <CAS> (480)
1403-66-3

>  <URL> (480)
http://www.selleckchem.com/products/gentamicin.html

$$$$

csChFnd80/08212509252D

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A   51
.
M  END
>  <Mol_ID> (481)
9781

>  <Formula> (481)
C23H48N6O17RS

>  <MolWeight> (481)
712.72222

>  <Cat> (481)
E0511

>  <Name> (481)
Framycetin sulphate

>  <Target> (481)
DNA/RNA Synthesis

>  <Form> (481)
sulphate

>  <CAS> (481)
4146-30-9

>  <URL> (481)
http://www.selleckchem.com/products/framycetin-sulphate.html

$$$$
>  <Mol_ID> (482)
9782

>  <Cat> (482)
E0525

>  <Name> (482)
Colistin

>  <Synonyms> (482)
Polymyxin E

>  <Target> (482)
Anti-infection

>  <Form> (482)
free base

>  <CAS> (482)
1066-17-7

>  <URL> (482)
http://www.selleckchem.com/products/colistimethate.html

$$$$
