631019
  -OEChem-02060822452D

 46 50  0     1  0  0  0  0  0999 V2000
    8.2583   -3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -6.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -5.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7459    0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459   -2.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1334   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -4.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -4.6625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4250   -4.6708    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    8.2583   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -5.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2583   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -5.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2583   -6.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6667   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -6.6792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5667   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -6.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3500   -5.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -7.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3250   -3.8583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9334   -3.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1334   -1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 24  1  0  0  0  0
  2 19  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  1  0  0  0  0
  3 27  1  0  0  0  0
 21  4  1  1  0  0  0
  5 27  2  0  0  0  0
  6 36  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  2  0  0  0  0
  8 43  2  0  0  0  0
  9 45  1  0  0  0  0
 36 10  1  1  0  0  0
 10 39  1  0  0  0  0
 10 41  1  0  0  0  0
 11 39  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  2  0  0  0  0
 37 12  1  6  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 22 28  2  0  0  0  0
 22 30  1  0  0  0  0
 23 26  1  0  0  0  0
 23 31  1  6  0  0  0
 24 29  1  0  0  0  0
 24 32  1  0  0  0  0
 24 33  1  0  0  0  0
 25 29  2  0  0  0  0
 26 34  1  1  0  0  0
 27 28  1  0  0  0  0
 30 35  1  0  0  0  0
 35 44  1  0  0  0  0
 36 40  1  0  0  0  0
 37 38  1  0  0  0  0
 37 40  1  0  0  0  0
 38 45  1  1  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 46  1  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
631019

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIAID

> <PUBCHEM_EXT_DATASOURCE_REGID>
082364

> <PUBCHEM_SUBSTANCE_COMMENT>
NIAID - Anti-HIV/OI Chemical Compound Database
NUCLEOSIDES, PYRIMIDINE
COMBINATIONS
NUCLEOSIDES, AZIDO
COUMARINS
CALANOLIDES
NUCLEOSIDES, DIDEOXY

> <PUBCHEM_SUBSTANCE_SYNONYM>
3'-Azido-3'-deoxythymidine & Calanolide A
AIDS-082364
AIDS082364
AZT & Calanolide A
ZDV & (+)-Calanolide A
ZDV & Calanolide

> <PUBCHEM_XREF_EXT_ID>
082364
AIDS082364

> <PUBCHEM_PUBMED_ID>
10428899
11142630

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chemdb.niaid.nih.gov/struct_search/an/an_search.htm

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chemdb.niaid.nih.gov/struct_search/all/url_search.asp?aids_no=082364

> <PUBCHEM_CID_ASSOCIATIONS>
474545  1
35370  2
64972  2

> <PUBCHEM_BONDANNOTATIONS>
36  10  5
37  12  6
23  31  6
26  34  5
38  45  5
21  4  5

$$$$