SDF file example (Chemical table file) from pubchem

compound3.sdf

3
  -OEChem-01172103382D

 19 19  0     1  0  0  0  0  0999 V2000
    5.1350    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -0.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
229

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADBSggAIACAAAAgCIAiDSCAAAAAAgAAAICAEAAEgJFBYAAQAAUAAF4AAJkYLKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
INCSWYKICIYAHB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
156.042259

> <PUBCHEM_MOLECULAR_FORMULA>
C7H8O4

> <PUBCHEM_MOLECULAR_WEIGHT>
156.14

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(C(C(=C1)C(=O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(C(C(=C1)C(=O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
77.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
156.042259

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  1  3
6  2  3

$$$$