~HELPSMILES
     General Information About SMILES Notation:
     -----------------------------------------
1. Atoms are represented by their atomic symbols. The
   first letter of each symbol must be entered in upper
   case UNLESS it is aromatic carbon, oxygen, or sulfur.

2. Aromatic carbon, oxygen, and sulfur are entered in
   lower case letters. If an aromatic compound is entered
   in upper case, it will automatically be converted to
   lower case IF entered properly. For example, benzene
   can be entered in upper case as -->  C1=CC=CC=C1   The
   program will convert it to -->  c1ccccc1

3. Hydrogens can NOT be entered by the user. ALL hydrogen
   attachments are determined by the program.

4. A double bond is represented by: =  (eg ethylene: C=C)
   A triple bond is represented by: #  (eg acetylene: C#C)
   Aromatic bonds are assumed when atoms are entered in
   lower case. Single bonds are NOT represented by any
   symbol. Single bonds are assumed to exist between
   adjacent atoms of an upper case entry.

5. A branch is represented by enclosing the branching
   atoms in parentheses (). For example, 2-propanol can
   be written as:  CC(O)C  ....Hexafluorobenzene can be
   written as:  Fc1c(F)c(F)c(F)c(F)c1F  ....The normal
   entry for butane is:  CCCC  ,but it could be entered
   as:  C(C(C(C)))   ....Two left-sided parentheses ((
   are NOT allowed in this program since they are NEVER
   needed to correctly represent any structure.

6. ALL cyclic structures REQUIRE numbers to indicate where
   the ring starts and stops. Digits 1-9 can be used.
   Digits are entered immediately following the symbol
   used as the starting or terminating ring position.
   Each number that is used (1,2,3,etc) MUST appear twice
   and ONLY twice in the SMILES. The SAME number is used
   to indicate starting and terminating positions. For
   example, the benzene ring can be entered as: c1ccccc1
   or c2ccccc2, etc....however, c1ccccc2 is incorrect and
   will flagged as an UNCLOSED RING. Examples of cyclic
   structures are:   ethylene oxide:  C1OC1 or C1CO1
   cyclohexane:  C1CCCCC1    cyclopentene: C1C=CCC1
   naphthalene:  c1cc2ccccc2cc1  or  c12ccccc1cccc2
   anthracene:  c1ccc2cc3ccccc3cc2c1
   biphenyl:  c1ccccc1c2ccccc2
   dioxin (TCDD):  CLc1c(CL)cc2Oc3cc(CL)c(CL)cc3Oc2c1

SMILES Notation for specific chemical groups are:
      Nitro:    N(=O)(=O)  or  N(=O)=O  or T
         eg: nitroethane -->  CCN(=O)=O   or
                              CCT

      Nitrate:  ON(=O)(=O)  or  ON(=O)=O
           eg: ethyl nitrate -->  CCON(=O)=O

      Nitrite:  ON(=O)  or  ON=O
           eg: propyl nitrite -->  CCCON(=O)

      Sulfonic acid:   S(=O)(=O)O
       eg: benzenesulfonic acid -->  c1ccccc1S(=O)(=O)O

  *** SALTS: ALL Metal Salts are Entered AS the Acid !

  Cyanide: C#N    eg: methyl cyanide -->  CC#N



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