Adjusted for your latest data.

#!/usr/bin/perl

use strict; # https://perlmonks.org/?node_id=11144249
use warnings;

open my $fh, '<', \<<END; # FIXME with normal open
 Property  job 1 : Activity coefficients ln(gamma) ;
 Settings  job 1 : T= 298.15 K ; x(6)= 1.0000 ;
 Units     job 1 : Concentrations x : mole fraction ;

  Nr Compound                                 ln(gamma)
   1 F002                                    4.66656083
   2 F011                                   26.13597035
   3 F101                                   32.47411476
   4 F11-1                                  29.58963453
   5 F111                                   30.24092207
   6 h2o                                     0.00000000
   7 acetonitrile                            2.14102090
   8 chlorobenzene                           8.72282917
   9 chcl3                                   6.98143674
  10 cyclohexane                            10.20251798
  11 1,2-dichloroethane                      6.32324557
  12 ch2cl2                                  5.50767091
  13 1,2-dimethoxyethane                     2.56706253
  14 n,n-dimethylacetamide                  -1.64673734

 Property  job 2 : Activity coefficients ln(gamma) ;
 Settings  job 2 : T= 298.15 K ; x(7)= 1.0000 ;
 Units     job 2 : Concentrations x : mole fraction ;

  Nr Compound                                 ln(gamma)
   1 F002                                    1.69945785
   2 F011                                    0.74578421
   3 F101                                    2.67268035
   4 F11-1                                   1.64808218
   5 F111                                    1.95840198
   6 h2o                                     2.08530828
   7 acetonitrile                            0.00000000
   8 chlorobenzene                           1.08379112
   9 chcl3                                   0.46576330
  10 cyclohexane                             3.71606919
  11 1,2-dichloroethane                     -0.02354847
  12 ch2cl2                                 -0.23798262
  13 1,2-dimethoxyethane                     1.22044280
  14 n,n-dimethylacetamide                   0.44524110
END

local $_ = do{ local $/; <$fh> }; # slurp entire file

my %solvent_face;
$solvent_face{ "$3_$1" } = $2 while
  /\b (F\S+) \h+ ([-\d.]+) (?=.*? (\S+) \h+ 0.00000000 )/gsx;

use Data::Dump 'dd'; dd \%solvent_face;
[download]

Outputs:

{
  "acetonitrile_F002"  => 1.69945785,
  "acetonitrile_F011"  => 0.74578421,
  "acetonitrile_F101"  => 2.67268035,
  "acetonitrile_F11-1" => 1.64808218,
  "acetonitrile_F111"  => 1.95840198,
  "h2o_F002"           => 4.66656083,
  "h2o_F011"           => 26.13597035,
  "h2o_F101"           => 32.47411476,
  "h2o_F11-1"          => 29.58963453,
  "h2o_F111"           => 30.24092207,
}
[download]

Correct ?

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