Mrv0541 02231217272D          

 18 36  0  0  0  0            999 V2000
    2.6593   -1.5077    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1615   -0.9885    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    3.1011   -0.3081    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9359   -0.8620    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    3.5785   -0.2176    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6163   -1.1780    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    3.0131   -1.9547    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5192   -1.6049    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    3.5187   -0.7765    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1079   -1.4905    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    3.6723   -2.1079    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -1.5995    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3289   -1.0112    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    4.0568   -0.3463    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6161   -0.2998    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2473   -1.8598    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8063   -0.9442    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4868   -1.4715    0.0000 Br  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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  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
  2  8  1  0  0  0  0
  4  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  6 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
  4 13  1  0  0  0  0
  6 13  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 13 15  1  0  0  0  0
  4 15  1  0  0  0  0
 13 16  1  0  0  0  0
  4 16  1  0  0  0  0
 10 17  1  0  0  0  0
  4 17  1  0  0  0  0
  8 18  1  0  0  0  0
  4 18  1  0  0  0  0
M  RAD  8   1   2   3   2   5   2   7   2   9   2  11   2  12   2  14   2
M  RAD  4  15   2  16   2  17   2  18   2
M  END
> <DATABASE_ID>
DB04119

> <DATABASE_NAME>
drugbank

> <SMILES>
[Ta]1234567[Br][Ta]1189%10%11[Br][Ta]2112%12%13%14([Ta]33([Br]4)([Br]1)[Ta]821([Br][Ta]5931([Br]%12)([Br]6)[Br]%10)([Br]%13)([Br]%14)[Br]%11)[Br]7

> <INCHI_IDENTIFIER>
InChI=1S/12Br.6Ta

> <INCHI_KEY>
InChIKey=CJVLLWDZYINSDB-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
21.19719975489754

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
2032.70802984

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
Br12Ta6

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_LOGP>
11.2212

> <JCHEM_MASS>
2044.535

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
19

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
104.82240000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB04119

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Hexatantalum Dodecabromide

$$$$