DNC001391
 Wcorina  07020613013D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 19 19  0     0  0  0  0  0  0999 V2000
   -0.0172    1.4168    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    2.2101    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    1.8797   -1.3124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0855    3.0220    4.8185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297    1.8941    1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430    1.0193    1.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7267    3.1406    2.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3622    2.6436    3.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5598    1.3903    3.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4399    3.5177    3.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531    2.3264   -1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646    1.7043   -2.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7267    2.4094    5.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467    3.8975    5.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9961    0.0451    1.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0094    3.8197    1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2734    0.7069    3.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2806    4.4912    3.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
9661

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C07458

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 63-74-1
ChEBI: 45373
PDB-CCD: SAN
NIKKAJI: J4.829A
Same as: D08543

> <PUBCHEM_SUBSTANCE_SYNONYM>
63-74-1
C07458
Prontosil album
Sulfamine
Sulfanilamide

> <PUBCHEM_GENERIC_REGISTRY_NAME>
63-74-1

> <PUBCHEM_XREF_EXT_ID>
C07458

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C07458

> <PUBCHEM_CID_ASSOCIATIONS>
5333  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$