diff --git a/.gitignore b/.gitignore
index ae1a6c21..8e8a17cd 100644
--- a/.gitignore
+++ b/.gitignore
@@ -24,6 +24,7 @@ build/
 Testing/
 googletest/
 *.egg-info/
+inchi_mol_test_*/
 .clang-format
 # Ignore core dump files
 core.*[0-9]
diff --git a/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/cis_platin.mol b/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/cis_platin.mol
deleted file mode 100644
index 92a570bd..00000000
--- a/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/cis_platin.mol
+++ /dev/null
@@ -1,26 +0,0 @@
-
-  ACCLDraw09152511572D
-
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-M  END
diff --git a/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_alkene.ds_0.mol b/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_alkene.ds_0.mol
deleted file mode 100644
index 58be810f..00000000
--- a/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_alkene.ds_0.mol
+++ /dev/null
@@ -1,18 +0,0 @@
-
-Generated by WebMolKit
-
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-    0.0000    0.0000    0.0000 Pt  0  5  0  0  0  0  0  0  0  0  0  0
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-M  CHG  1   1  -1
-M  END
\ No newline at end of file
diff --git a/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_bidentate.ds_7.mol b/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_bidentate.ds_7.mol
deleted file mode 100644
index b768f346..00000000
--- a/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_bidentate.ds_7.mol
+++ /dev/null
@@ -1,135 +0,0 @@
-
-Generated by WebMolKit
-
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-    1.2990   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    0.0000   -2.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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-M  STY  1   1 SUP
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-M  SAL   1  4  25  26  27  28
-M  SMT   1 P|Ph{3}
-M  STY  1   2 SUP
-M  SAL   2 15  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43
-M  SAL   2  4  44  45  46  47
-M  SMT   2 P|Ph{3}
-M  STY  1   3 SUP
-M  SAL   3  4  48  49  50  51
-M  SMT   3 C|F{3}
-M  STY  1   4 SUP
-M  SAL   4  4  52  53  54  55
-M  SMT   4 C|F{3}
-M  END
\ No newline at end of file
diff --git a/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_carbonyl.ds_0.mol b/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_carbonyl.ds_0.mol
deleted file mode 100644
index 2d2ca465..00000000
--- a/INCHI-1-DOC/Notebooks/Molecular_inorganics/Geometries/data/mol_carbonyl.ds_0.mol
+++ /dev/null
@@ -1,41 +0,0 @@
-
-Generated by WebMolKit
-
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-    0.0000    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
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-M  SAL   1  2   2   3
-M  SMT   1 C|O
-M  STY  1   2 SUP
-M  SAL   2  2   4   5
-M  SMT   2 C|O
-M  STY  1   3 SUP
-M  SAL   3  2   6   7
-M  SMT   3 C|O
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-M  SMT   4 C|O
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-M  SMT   5 C|O
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\ No newline at end of file
diff --git a/INCHI-1-SRC/INCHI_API/demos/mol2inchi/src/CMakeLists.txt b/INCHI-1-SRC/INCHI_API/demos/mol2inchi/src/CMakeLists.txt
index 8654f50e..1f89d99a 100644
--- a/INCHI-1-SRC/INCHI_API/demos/mol2inchi/src/CMakeLists.txt
+++ b/INCHI-1-SRC/INCHI_API/demos/mol2inchi/src/CMakeLists.txt
@@ -51,7 +51,7 @@ if(MATH_LIBRARY)
     target_link_libraries(mol2inchi PUBLIC ${MATH_LIBRARY})
 endif()
 
-target_compile_definitions(mol2inchi PRIVATE 
+target_compile_definitions(mol2inchi PRIVATE
 	BUILD_LINK_AS_DLL
 	TARGET_EXE_USING_API
 )
@@ -70,7 +70,7 @@ else()
 	set(CMAKE_THREAD_PREFER_PTHREAD TRUE)
 	set(THREADS_PREFER_PTHREAD_FLAG TRUE)
 	find_package(Threads REQUIRED)
-	target_link_libraries(mol2inchi Threads::Threads)
+	target_link_libraries(mol2inchi PRIVATE Threads::Threads)
 	add_custom_command(TARGET mol2inchi POST_BUILD
 		COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:libinchi> $<TARGET_FILE_DIR:mol2inchi>
 		COMMAND_EXPAND_LISTS
diff --git a/INCHI-1-SRC/INCHI_EXE/inchi-1/src/dispstru.c b/INCHI-1-SRC/INCHI_BASE/src/dispstru.c
similarity index 98%
rename from INCHI-1-SRC/INCHI_EXE/inchi-1/src/dispstru.c
rename to INCHI-1-SRC/INCHI_BASE/src/dispstru.c
index c70ce860..f5bff79f 100644
--- a/INCHI-1-SRC/INCHI_EXE/inchi-1/src/dispstru.c
+++ b/INCHI-1-SRC/INCHI_BASE/src/dispstru.c
@@ -40,7 +40,7 @@
 
 /* Draw input atom -- Win32 specific */
 
-#include "../../../INCHI_BASE/src/mode.h"
+#include "mode.h"
 
 #ifndef COMPILE_ANSI_ONLY
 
@@ -347,13 +347,13 @@ BOOL TextOutVert( HDC     pDC,         /* handle to DC                      */
 
     GetTextMetrics( pDC, &TextMetric );
     dy = TextMetric.tmHeight;
-    
+
     for (i = 0, ret = 1; ret && i < cbString; nYStart += dy, i++)
     {
         char_width = GetOneCharInStringWidth( pDC, lpString + i );
         ret = TextOut( pDC, nXStart + ( cell_width - char_width ) / 2, nYStart, lpString + i, 1 );
     }
-    
+
     return ret;
 }
 
@@ -366,8 +366,8 @@ BOOL TextOutHoriz( HDC     pDC,        /* handle to DC                     */
                    int     cbString,   /* number of characters             */
                    int     cell_width )
 {
-    int dX = ( cell_width && cbString == 1 ) 
-                ? ( cell_width - GetOneCharInStringWidth( pDC, lpString ) ) / 2 
+    int dX = ( cell_width && cbString == 1 )
+                ? ( cell_width - GetOneCharInStringWidth( pDC, lpString ) ) / 2
                 : 0;
 
     return TextOut( pDC, nXStart + dX, nYStart, lpString, cbString );
@@ -663,7 +663,7 @@ int DrawBond( HDC      pDC,
     {
         DrawBondParity( pDC, x1, y1, x2, y2, b_parity );
     }
-    
+
     if (xCRU)
     {
         DrawBondCrossingCRU(pDC, x1, y1, x2, y2);
@@ -726,7 +726,7 @@ void DrawPenColorFilledPolygon( HDC pDC, const POINT *pnt, int num )
 
     ret = GetObject( penOld, sizeof( LogPen ), &LogPen );
     SelectObject( pDC, penOld );
-    
+
     /* do not need to delete stock object penNew */
     if (ret)
     {
@@ -829,7 +829,7 @@ int DrawBondStereo( HDC      pDC,
 
 
     POINT           pnt[4];
-    
+
     if (b_highlight)
     {
         hHighlightPen = CreatePen( PS_SOLID, nPenWidth, clrHighlight );
@@ -1012,27 +1012,27 @@ int DrawBondParity( HDC pDC,
         parity_mark = parity_mark0;
     }
 
-    if (parity_mark == BOND_MARK_ODD)  
+    if (parity_mark == BOND_MARK_ODD)
     {
-        p = "(-)"; 
+        p = "(-)";
     }
-    else if (parity_mark == BOND_MARK_EVEN)  
+    else if (parity_mark == BOND_MARK_EVEN)
     {
         p = "(+)"; /*" |"; */
     }
-    else if (parity_mark == BOND_MARK_UNDF)  
+    else if (parity_mark == BOND_MARK_UNDF)
     {
-        p = "(?)"; 
+        p = "(?)";
     }
-    else if (parity_mark == BOND_MARK_UNKN)  
+    else if (parity_mark == BOND_MARK_UNKN)
     {
-        p = "(u)"; 
+        p = "(u)";
     }
-    else if (parity_mark == BOND_MARK_ERR) 
+    else if (parity_mark == BOND_MARK_ERR)
     {
-        p = "(!)"; 
+        p = "(!)";
     }
-    else 
+    else
     {
         return 0;
     }
@@ -1084,7 +1084,7 @@ int DrawBondCrossingCRU(HDC pDC, int x1, int y1, int x2, int y2)
     char *p;
 
     p = " //"; /*"(+)"; */
-    
+
     if (abs(x2 - x1) > 10 * abs(y2 - y1))
     {
         /* almost horizontal bond; draw parity closer (1:2) to the right end */
@@ -1137,7 +1137,7 @@ int DrawBondNoStereo( HDC      pDC,
     COLORREF        clr = clrPen;
 
     switch (b_type)
-    {   
+    {
         /* c=center, l=left, r=right */
         case 0:
             c = 'D';
@@ -1240,8 +1240,8 @@ int DrawBondNoStereo( HDC      pDC,
         DrawLine( pDC, x1, y1, x2, y2 );
         hLongDashedPen = (HPEN) SelectObject( pDC, hSolidPen );
     }
-        
-    
+
+
 
     /* draw lines parallel to line between bonds */
     if (l || r)
@@ -1252,14 +1252,14 @@ int DrawBondNoStereo( HDC      pDC,
             bond_sep = hfont / 12.0;
             if (( x1 == x2 ) || ( y1 == y2 ))
             {
-                if (bond_sep < 1.0) 
+                if (bond_sep < 1.0)
                 {
                     bond_sep = 1.0;
                 }
             }
             else
             {
-                if (bond_sep < 2.0) 
+                if (bond_sep < 2.0)
                 {
                     bond_sep = 2.0;
                 }
@@ -1270,14 +1270,14 @@ int DrawBondNoStereo( HDC      pDC,
             bond_sep = hfont / 6.0;
             if (( x1 == x2 ) || ( y1 == y2 ))
             {
-                if (bond_sep < 2.0) 
+                if (bond_sep < 2.0)
                 {
                     bond_sep = 2.0;
                 }
             }
             else
             {
-                if (bond_sep < 4.0) 
+                if (bond_sep < 4.0)
                 {
                     bond_sep = 4.0;
                 }
@@ -1397,9 +1397,9 @@ int MyTextOutABC( const char *p, int iFst, int iLst, HDC pDC )
     {
         return 0;
     }
-    
+
     GetCurrentPositionEx( pDC, &pt );
-    
+
     if (GetCharABCWidths(   pDC,            /* handle to DC             */
                             (int) p[iFst],  /* first character in range */
                             (int) p[iFst],  /* last character in range  */
@@ -1411,7 +1411,7 @@ int MyTextOutABC( const char *p, int iFst, int iLst, HDC pDC )
     }
 
     TextOut( pDC, pt.x, pt.y, p + iFst, iLst - iFst + 1 );
-    
+
     if (GetCharABCWidths(   pDC,            /* handle to DC */
                             (int) p[iLst],  /* first character in range */
                             (int) p[iLst],  /* last character in range  */
@@ -1422,7 +1422,7 @@ int MyTextOutABC( const char *p, int iFst, int iLst, HDC pDC )
         pt.x -= abc.abcC;
         MoveToEx( pDC, pt.x, pt.y, NULL );
     }
-    
+
     return 1;
 }
 
@@ -1438,15 +1438,15 @@ int DrawColorString( HDC pDC,const char *st, int xs, int ys, int bHighlightTheAt
     COLORREF  NewBkColor=0;
     int       bWritingAtomStringColored = 0;
 
-    /* 
-    Draw the string character by character. 
-    For each character within the first part of the string 
-    make a decision if it is a subscript or a superscript 
-    The first part ends with '/'=start of the canonical number or '(' = start of the parity mark 
-    The superscript first character is ^ or + or - or . (. initiates double shift) 
-    The the superscript ends with not the first character and not a digit or the end of the first part 
-    The first character of a subscript (if it is not in the superscript) is a digit 
-    The subscript ends  a non-digit 
+    /*
+    Draw the string character by character.
+    For each character within the first part of the string
+    make a decision if it is a subscript or a superscript
+    The first part ends with '/'=start of the canonical number or '(' = start of the parity mark
+    The superscript first character is ^ or + or - or . (. initiates double shift)
+    The the superscript ends with not the first character and not a digit or the end of the first part
+    The first character of a subscript (if it is not in the superscript) is a digit
+    The subscript ends  a non-digit
     */
     const char *p = st;
     UINT uPrevTextAlign = SetTextAlign( pDC, TA_UPDATECP );
@@ -1672,11 +1672,11 @@ int DrawColorString( HDC pDC,const char *st, int xs, int ys, int bHighlightTheAt
 
 
 /****************************************************************************/
-int DrawPreparedString( HDC pDC, 
-                        char *st1, 
-                        int  shift, 
-                        int  x, 
-                        int  y, 
+int DrawPreparedString( HDC pDC,
+                        char *st1,
+                        int  shift,
+                        int  x,
+                        int  y,
                         int  bHighlightTheAtom )
 {
     DrawColorString( pDC, st1, x + shift, y - GetFontAscent( pDC ) / 2, bHighlightTheAtom );
@@ -1705,7 +1705,7 @@ int DrawString( HDC pDC, char *st1, int shift, int x, int y )
     ys = y - afont / 2;
 
     /* Single element */
-    if (strlen( st ) == 1) 
+    if (strlen( st ) == 1)
     {
         goto draw;
     }
@@ -1719,7 +1719,7 @@ int DrawString( HDC pDC, char *st1, int shift, int x, int y )
         start = MoveHydrogenAtomToTheLeft(st, start, 'D');
         start = MoveHydrogenAtomToTheLeft(st, start, 'H');
         /* determine the position */
-        if (( strlen( st ) == 2 ) && islower( st[1] )) 
+        if (( strlen( st ) == 2 ) && islower( st[1] ))
         {
             goto draw;
         }
@@ -1918,7 +1918,7 @@ void CalcTblParms( HDC            hMemoryDC,
         tp->tblRows = inchi_max( tp->tblRows, n );
     }
     if (tdp->nOrientation)
-    { 
+    {
         /* here are tp->tblCols columns and tp->tblRows rows. */
         tp->tblHeight = tp->thdrHeight + ( 2 * tp->tblRows + 2 )*tp->tcellHeight; /* empty lines above the header and around each cell */
         tp->thdrWidth = tp->tcellWidth = inchi_max( tp->tcellWidth, tp->thdrWidth );
@@ -1930,7 +1930,7 @@ void CalcTblParms( HDC            hMemoryDC,
         tp->ytblOffs = yoffs1;
     }
     else
-    {  
+    {
         /* Do not believe your eyes: here are tp->tblCols rows and tp->tblRows columns. */
         tp->thdrHeight = tp->tcellHeight = inchi_max( tp->thdrHeight, tp->tcellHeight );
         tp->tblWidth = tp->thdrWidth + ( 2 * tp->tblRows + 2 )*tp->tcellWidth;
@@ -1956,7 +1956,7 @@ int DrawTheTable( HDC            hDC,
     int dx = tp->tcellWidth / 2;
     int dy = tp->tcellHeight / 2;
     int x1, y1, x2, y2;
-    
+
     /* draw frame around the table */
     ret = Rectangle( hDC, tp->xtblOffs + dx + x_offs, tp->ytblOffs + dy + y_offs, tp->xtblOffs + tp->tblWidth - dx + x_offs, tp->ytblOffs + tp->tblHeight - dy + y_offs ); /* djb-rwth: removing redundant variable *//* djb-rwth: ignoring LLVM warning: variable used to store function return value */
 
@@ -1979,7 +1979,7 @@ int DrawTheTable( HDC            hDC,
         }
         DrawLine( hDC, x1 + x_offs, y1 + y_offs, x2 + x_offs, y2 + y_offs );
     }
-    
+
     /* draw lines between requested/Shown/Found types */
     for (i = 0; i < tp->tblRows; i++)
     {
@@ -2604,7 +2604,7 @@ int CreateInputStructPicture( HDC            hDC,
         /* Calculate requested/Shown/Found table sizes */
         /***********************************************/
         memset(&tp, 0, sizeof(tp)); /* djb-rwth: memset_s C11/Annex K variant? */
-        
+
 #ifdef TARGET_LIB_FOR_WINCHI
         bDrawTbl = 0;
 #else
@@ -2760,15 +2760,15 @@ int CreateInputStructPicture( HDC            hDC,
                 {
                     strcat(str, ":");
                 }
-                if (bTaut) 
+                if (bTaut)
                 {
                     strcat(str, " Mobile H");
                 }
-                if (bIso) 
+                if (bIso)
                 {
                     strcat(str, " Isotopic");
                 }
-                if (bSter) 
+                if (bSter)
                 {
                     strcat(str, " Stereo");
                 }
@@ -2776,7 +2776,7 @@ int CreateInputStructPicture( HDC            hDC,
             }
             if (pWinData->inf_at_data.szRemovedProtons[0])
             {
-                if (str[0]) 
+                if (str[0])
                     strcat( str, ";    " ); /* djb-rwth: function replaced with its safe C11 variant */
                 strcat(str, pWinData->inf_at_data.szRemovedProtons);
             }
@@ -3297,7 +3297,7 @@ int DisplayInputStructure( char          *szOutputString,
     UnregisterClass( szWindowClassName,    /* address of class name string */
                     hInstance             /* handle of application instance */
     );
-    
+
     /* Save window size and position */
     if (WinData.rc.bottom > WinData.rc.top && WinData.rc.right > WinData.rc.left)
     {
@@ -3306,12 +3306,12 @@ int DisplayInputStructure( char          *szOutputString,
         dp->pdp->rcPict[2] = WinData.rc.right - WinData.rc.left;
         dp->pdp->rcPict[3] = WinData.rc.bottom - WinData.rc.top;
     }
-    
+
     if (WinData.bEsc)
     {
         dp->rdp.bEsc = 1;
     }
-    
+
     return WinData.bEsc ? 27 : 1;
 }
 #endif
diff --git a/INCHI-1-SRC/INCHI_EXE/inchi-1/src/dispstru.h b/INCHI-1-SRC/INCHI_BASE/src/dispstru.h
similarity index 100%
rename from INCHI-1-SRC/INCHI_EXE/inchi-1/src/dispstru.h
rename to INCHI-1-SRC/INCHI_BASE/src/dispstru.h
diff --git a/INCHI-1-SRC/INCHI_EXE/inchi-1/src/ichimain.c b/INCHI-1-SRC/INCHI_BASE/src/ichimain.c
similarity index 90%
rename from INCHI-1-SRC/INCHI_EXE/inchi-1/src/ichimain.c
rename to INCHI-1-SRC/INCHI_BASE/src/ichimain.c
index cc422b04..326dfb7b 100644
--- a/INCHI-1-SRC/INCHI_EXE/inchi-1/src/ichimain.c
+++ b/INCHI-1-SRC/INCHI_BASE/src/ichimain.c
@@ -2,7 +2,6 @@
  * International Chemical Identifier (InChI)
  * Version 1
  * Software version 1.07
- * April 30, 2024
  *
  * MIT License
  *
@@ -50,13 +49,13 @@
 #include <locale.h>
 
 #ifndef COMPILE_ANSI_ONLY
-#include <conio.h>
+// #include <conio.h>
 #ifndef TARGET_LIB_FOR_WINCHI
-#include <windows.h>
+// #include <windows.h>
 #endif
 #endif
 
-#include "../../../INCHI_BASE/src/mode.h"
+#include "mode.h"
 
 #if( BUILD_WITH_AMI == 1 && defined( _MSC_VER ) && MSC_AMI == 1 )
 #include <malloc.h>
@@ -67,106 +66,26 @@
 #ifdef _WIN32
 #include <crtdbg.h>
 #endif
-#include "../../../INCHI_BASE/src/ichitime.h"
-#include "../../../INCHI_BASE/src/incomdef.h"
-#include "../../../INCHI_BASE/src/ichidrp.h"
-#include "../../../INCHI_BASE/src/inpdef.h"
-#include "../../../INCHI_BASE/src/ichi.h"
-#include "../../../INCHI_BASE/src/strutil.h"
-#include "../../../INCHI_BASE/src/util.h"
-#include "../../../INCHI_BASE/src/ichierr.h"
-#include "../../../INCHI_BASE/src/ichimain.h"
-#include "../../../INCHI_BASE/src/ichicomp.h"
-#include "../../../INCHI_BASE/src/ichi_io.h"
+#include "ichitime.h"
+#include "incomdef.h"
+#include "ichidrp.h"
+#include "inpdef.h"
+#include "ichi.h"
+#include "strutil.h"
+#include "util.h"
+#include "ichierr.h"
+#include "ichimain.h"
+#include "ichicomp.h"
+#include "ichi_io.h"
 #ifdef TARGET_EXE_STANDALONE
-#include "../../../INCHI_BASE/src/inchi_api.h"
+#include "inchi_api.h"
 #endif
 
-#include "../../../INCHI_BASE/src/bcf_s.h"
-#include "../../../INCHI_BASE/src/permutation_util.h"
+#include "bcf_s.h"
+#include "permutation_util.h"
 
  /*  Console-specific */
 
-#if !defined(TARGET_API_LIB) && !defined(COMPILE_ANSI_ONLY)
-
-/* Use Windows additional features */
-
-
-/****************************************************************************/
-int user_quit(struct tagINCHI_CLOCK* ic,
-    const char* msg,
-    unsigned long ulMaxTime)
-{
-#if defined(TARGET_LIB_FOR_WINCHI)
-    return 0;
-#endif
-
-#if ( !defined(TARGET_LIB_FOR_WINCHI) && defined(_WIN32) )
-
-    int quit, enter, ret;
-    printf("%s", msg); /* djb-rwth: format string added for security */
-    if (ulMaxTime)
-    {
-        inchiTime  ulEndTime;
-        InchiTimeGet(&ulEndTime);
-        InchiTimeAddMsec(ic, &ulEndTime, ulMaxTime);
-        while (!_kbhit())
-        {
-            if (bInchiTimeIsOver(ic, &ulEndTime))
-            {
-                printf("\n");
-                return 0;
-            }
-            MySleep(100);
-        }
-    }
-    while (1)
-    {
-        quit = ('q' == (ret = _getch()) || 'Q' == ret || /*Esc*/ 27 == ret); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
-        enter = ('\r' == ret);
-        if (ret == 0xE0)
-        {
-            ret = _getch(); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
-        }
-        else
-        {
-            _putch(ret); /* echo */
-        }
-        if (quit || enter)
-        {
-            break;
-        }
-        printf("\r");
-        printf("%s", msg); /* djb-rwth: format string added for security */
-    }
-    _putch('\n');
-
-    return quit;
-#else
-    return 0;
-
-#endif    /* #if ( defined(_WIN32) && !defined(TARGET_LIB_FOR_WINCHI) ) */
-}
-
-
-/****************************************************************************/
-void eat_keyboard_input(void)
-{
-    int ret_val; /* djb-rwth: adding return value */ /* djb-rwth: ignoring LLVM warning */
-#ifndef TARGET_LIB_FOR_WINCHI
-
-    while (_kbhit())
-    {
-        if (0xE0 == _getch())
-        {
-            ret_val = _getch(); /* djb-rwth: return value variable added */
-        }
-    }
-
-#endif
-}
-
-#endif /* end of !COMPILE_ANSI_ONLY */
 
 
 #ifndef TARGET_LIB_FOR_WINCHI
@@ -180,86 +99,7 @@ void eat_keyboard_input(void)
 
 /* Windows-console-mode specific */
 
-int bInterrupted = 0;
-
-#if ( defined( _WIN32 ) && defined( _CONSOLE ) )
-#ifndef COMPILE_ANSI_ONLY
-
-
-/****************************************************************************/
-BOOL WINAPI MyHandlerRoutine(DWORD dwCtrlType   /*   control signal type */)
-{
-    if (dwCtrlType == CTRL_C_EVENT ||
-        dwCtrlType == CTRL_BREAK_EVENT ||
-        dwCtrlType == CTRL_CLOSE_EVENT ||
-        dwCtrlType == CTRL_LOGOFF_EVENT)
-    {
-        bInterrupted = 1;
-        return TRUE;
-    }
-    return FALSE;
-}
-
-
-/****************************************************************************/
-int WasInterrupted(void)
-{
-#ifdef _DEBUG
-    if (bInterrupted)
-    {
-        int stop = 1;  /*  for debug only <BRKPT> */
-    }
-#endif
-    return bInterrupted;
-}
-#if ( BUILD_WITH_AMI == 1 )
-#define CTRL_STOP_EVENT 101
-#endif
-#endif /* ifndef COMPILE_ANSI_ONLY */
-#endif /* if( defined( _WIN32 ) && defined( _CONSOLE ) ) */
-
-
-
-/****************************************************************************/
-int main(int argc, char* argv[])
-{
-#ifdef GHI100_FIX
-#if ((SPRINTF_FLAG != 1) && (SPRINTF_FLAG != 2))
-    setlocale(LC_ALL, "en-US"); /* djb-rwth: setting all locales to "en-US" */
-#endif
-#endif
-
-    /*************************/
-#if ( BUILD_WITH_AMI == 1 )
-/*************************/
-
-/**** IF IN AMI MODE, main() STARTS HERE ****/
-    int i, ret = 0, ami = 0;  /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
-
-    /* Check if multiple inputs expected */
-    for (i = 1; i < argc; i++)
-    {
-        if (argv[i][0] == INCHI_OPTION_PREFX)
-        {
-            if (!inchi_stricmp(argv[i] + 1, "AMI"))
-            {
-                ami = 1;
-                break;
-            }
-        }
-    }
-
-    if (ami)
-    {
-        ret = ProcessMultipleInputFiles(argc, argv); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
-    }
-    else
-    {
-        ret = ProcessSingleInputFile(argc, argv); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
-    }
-
-    return 0;
-}
+// int bInterrupted = 0;
 
 
 /****************************************************************************/
@@ -522,7 +362,8 @@ int ProcessMultipleInputFiles(int argc, char* argv[])
 /****************************************************************************/
 int ProcessSingleInputFile(int argc, char* argv[])
 {
-    /**************************************/
+
+/**************************************/
 #endif /* #if ( BUILD_WITH_AMI == 1 ) */
 /**************************************/
 
@@ -816,7 +657,7 @@ int ProcessSingleInputFile(int argc, char* argv[])
     /*************************************************************/
 
 
-    while (!sd->bUserQuit && !bInterrupted)
+    while (!sd->bUserQuit ) //&& !bInterrupted
     {
         int do_renumbering = 0;
         int next_action;
@@ -1078,7 +919,7 @@ void emit_empty_inchi(INPUT_PARMS* ip,
     }
     inchi_ios_flush(pout);
 }
-#endif  /* ifndef TARGET_LIB_FOR_WINCHI */
+
 
 
 /*****************************************************************************/
diff --git a/INCHI-1-SRC/INCHI_BASE/src/ichimain.h b/INCHI-1-SRC/INCHI_BASE/src/ichimain.h
index 02f999eb..779d6b3e 100644
--- a/INCHI-1-SRC/INCHI_BASE/src/ichimain.h
+++ b/INCHI-1-SRC/INCHI_BASE/src/ichimain.h
@@ -2,7 +2,6 @@
  * International Chemical Identifier (InChI)
  * Version 1
  * Software version 1.07
- * April 30, 2024
  *
  * MIT License
  *
@@ -164,7 +163,7 @@ typedef struct tagINCHI_OUT_CTL
     char szTag2[PRINT_INCHI_MAX_TAG_LEN];
     char szTag3[PRINT_INCHI_MAX_TAG_LEN];
 
-    int n_pzz; 
+    int n_pzz;
     int n_zy;
 
     INCHI_SORT   **pINChISortTautAndNonTaut;
@@ -521,7 +520,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
                              OAD_StructureEdits *ed,
                              int *ret);
 void OAD_CollectFragmentBondsAndAtoms( ORIG_ATOM_DATA  *at_data,
-                                       int nforbidden,		
+                                       int nforbidden,
                                        int *forbidden_orig,
                                        int *n_fragbonds,
                                        int **fragbonds,
diff --git a/INCHI-1-SRC/INCHI_BASE/src/ichimake.c b/INCHI-1-SRC/INCHI_BASE/src/ichimake.c
index 80652e13..e478e55b 100644
--- a/INCHI-1-SRC/INCHI_BASE/src/ichimake.c
+++ b/INCHI-1-SRC/INCHI_BASE/src/ichimake.c
@@ -4550,6 +4550,10 @@ int  Create_INChI(CANON_GLOBALS* pCG,
             {
                 inchi_free(t_group_info->nIsotopicEndpointAtomNumber);
             }
+            if (t_group_info->t_group)
+            {
+                inchi_free(t_group_info->t_group);
+            }
             memset(t_group_info, 0, sizeof(*t_group_info)); /* djb-rwth: memset_s C11/Annex K variant? */
         }
     }
diff --git a/INCHI-1-SRC/INCHI_BASE/src/runichi.c b/INCHI-1-SRC/INCHI_BASE/src/runichi.c
index a5dc9e1c..d8630a59 100644
--- a/INCHI-1-SRC/INCHI_BASE/src/runichi.c
+++ b/INCHI-1-SRC/INCHI_BASE/src/runichi.c
@@ -267,7 +267,6 @@ int ProcessOneStructure( INCHI_CLOCK            *ic,
     memset( composite_norm_data, 0, sizeof( composite_norm_data ) ); /* djb-rwth: memset_s C11/Annex K variant? */
     memset( pncFlags, 0, sizeof( *pncFlags ) ); /* djb-rwth: memset_s C11/Annex K variant? */
 
-        
     /* For experimental purposes only */
     /*ret1 = DoOneStructureEarlyPreprocessing( num_inp, sd, ip, inp_file,
                                              log_file, out_file, prb_file,
@@ -1156,7 +1155,7 @@ int CreateOneStructureINChI( CANON_GLOBALS          *pCG,
 
     /* allocate pINChI[iINChI] and pINChI_Aux2[iINChI] -- arrays of pointers to INChI and INChI_Aux */
     /* assign values to sd->num_components[]                                                  */
-    
+
     /* djb-rwth: MYREALLOC2 has been replaced and the whole block rewritten to address memory leaks and reading from freed memory locations */
     do {
         if( (sd->num_components[iINChI]) <= ((long long)cur_prep_inp_data->num_components) ) {
@@ -1327,7 +1326,7 @@ int CreateOneStructureINChI( CANON_GLOBALS          *pCG,
         }
 #endif
 
-        /*#ifndef COMPILE_ANSI_ONLY  
+        /*#ifndef COMPILE_ANSI_ONLY
         { */
 
         /*  b) Display the extracted original component structure */
@@ -2039,7 +2038,7 @@ int ProcessOneStructureEx( struct tagINCHI_CLOCK    *ic,
 {
     int ret = _IS_OKAY;
     char *sinchi_noedits=NULL, *saux_noedits=NULL;
-    
+
 
     /* PREPROCESS */
 
@@ -2048,7 +2047,7 @@ int ProcessOneStructureEx( struct tagINCHI_CLOCK    *ic,
     if (ip->bFilterSS)
     {
         int present, ok = 0;
-        
+
         present = OrigAtData_CheckForSubstructure(orig_inp_data);
 
         if (ip->bFilterSS == 1 && present)			ok = 1;
@@ -2073,11 +2072,11 @@ int ProcessOneStructureEx( struct tagINCHI_CLOCK    *ic,
                                     &sinchi_noedits, &saux_noedits); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
 
     /* CALCULATE INCHI */
-    
-    /* Perform calculation as usual either for untouched (modes POLYMERS_LEGACY and POLYMERS_LEGACY_PLUS) 
+
+    /* Perform calculation as usual either for untouched (modes POLYMERS_LEGACY and POLYMERS_LEGACY_PLUS)
        or just edited, probably (mode POLYMERS_MODERN) structure as passed in orig_inp_data
     */
-    ret = ProcessOneStructureExCore( ic, CG, sd, ip,  szTitle, 
+    ret = ProcessOneStructureExCore( ic, CG, sd, ip,  szTitle,
                                      pINChI2, pINChI_Aux2,
                                      inp_file, log_file, out_file, prb_file,
                                      orig_inp_data, prep_inp_data,
@@ -2118,7 +2117,7 @@ int ProcessOneStructureEx( struct tagINCHI_CLOCK    *ic,
     inchi_free(sinchi_noedits);
     inchi_free(saux_noedits);
 
-    
+
 #ifdef TARGET_LIB_FOR_WINCHI
 
     push_to_winchi_text_window(out_file);
@@ -2135,7 +2134,7 @@ int ProcessOneStructureEx( struct tagINCHI_CLOCK    *ic,
 
 
 /****************************************************************************
- Special treatment for polymers: perform CRU frame shift analysis 
+ Special treatment for polymers: perform CRU frame shift analysis
  and make related edits in orig_inp_data whenever applicable
 ****************************************************************************/
 int PreprocessPolymerCRUData(	struct tagINCHI_CLOCK    *ic,
@@ -2161,7 +2160,7 @@ int PreprocessPolymerCRUData(	struct tagINCHI_CLOCK    *ic,
     char *sinchi_105p = NULL, *saux_105p = NULL;
     OAD_StructureEdits edits_unit_frame_shift, *ed_fs = &edits_unit_frame_shift;
     OAD_StructureEdits edits_unit_folding, *ed_fold = &edits_unit_folding;
-    
+
     OAD_StructureEdits_Init(ed_fold);
     OAD_StructureEdits_Init(ed_fs);
 
@@ -2192,7 +2191,7 @@ int PreprocessPolymerCRUData(	struct tagINCHI_CLOCK    *ic,
                                                             sinchi_noedits, saux_noedits);
                     if (ret == _IS_FATAL || ret == _IS_ERROR)
                     {
-                        ret = _IS_WARNING; 
+                        ret = _IS_WARNING;
                         if (!ip->bNoWarnings)
                         {
                             AddErrorMessage(sd->pStrErrStruct, "CRU folding and frame shift analysis failed");
@@ -2205,10 +2204,10 @@ int PreprocessPolymerCRUData(	struct tagINCHI_CLOCK    *ic,
                         /* CRU having both caps of indefinite nature, Zz                        */
                         goto exit_function;
                     }
-                    
+
 
                     /* Prepare and perform CRU folding related edits */
-                    if (ip->bFoldPolymerSRU != 0) 
+                    if (ip->bFoldPolymerSRU != 0)
                     {
                         /*	Get interim 105+ flavour of InChI and AuxInfo and prepare */
                         int old_bFrameShiftScheme = ip->bFrameShiftScheme;
@@ -2228,7 +2227,7 @@ int PreprocessPolymerCRUData(	struct tagINCHI_CLOCK    *ic,
                                 /* AddErrorMessage(sd->pStrErrStruct, "CRU fold analysis failed");*/
                                 ;
                             }
-                            goto frame_shift; 
+                            goto frame_shift;
                         }
 
                         ret = OAD_Polymer_PrepareFoldCRUEdits( orig_inp_data, *sinchi_noedits, *saux_noedits, sinchi_105p, saux_105p, ed_fold);
@@ -2244,7 +2243,7 @@ int PreprocessPolymerCRUData(	struct tagINCHI_CLOCK    *ic,
                         if (ret == _IS_WARNING)
                         {
                            /* inchi_ios_eprint(log_file, "Warning (CRU fold analysis failed) structure #%ld.%s%s%s%s\n",
-                                num_inp, SDF_LBL_VAL(ip->pSdfLabel, ip->pSdfValue));*/                            
+                                num_inp, SDF_LBL_VAL(ip->pSdfLabel, ip->pSdfValue));*/
                             ;
                         }
                         /* else */
@@ -2283,7 +2282,7 @@ int PreprocessPolymerCRUData(	struct tagINCHI_CLOCK    *ic,
 
 frame_shift:        ;
                     /* Prepare and perform frame shift related edits */
-                    if (ip->bFrameShiftScheme != FSS_NONE) 
+                    if (ip->bFrameShiftScheme != FSS_NONE)
                     {
                         /* Clear buffers */
                         if (sinchi_105p)
@@ -2314,7 +2313,7 @@ frame_shift:        ;
                         }
 
                         ret = OAD_Polymer_PrepareFrameShiftEdits( orig_inp_data, sinchi_105p, saux_105p, ed_fs);
-                     
+
                         if (ret == _IS_FATAL || ret == _IS_ERROR) /* djb-rwth: logical operator corrected */
                         {
                             ret = _IS_WARNING;
@@ -2386,7 +2385,7 @@ frame_shift:        ;
     OAD_StructureEdits_Clear(ed_fold);  /* Clear edits collection */
     OAD_StructureEdits_Clear(ed_fs);    /* Clear edits collection */
 
-    
+
     return ret;
 }
 
@@ -2395,17 +2394,17 @@ frame_shift:        ;
 void swap_atoms_xyz( ORIG_ATOM_DATA *orig_at_data, int ia1, int ia2 )
 {
     double x, y, z;
-    
+
     if (ia1 != ia2)
     {
-        x = orig_at_data->at[ia1].x; 
-        y = orig_at_data->at[ia1].y; 
+        x = orig_at_data->at[ia1].x;
+        y = orig_at_data->at[ia1].y;
         z = orig_at_data->at[ia1].z;
 
         orig_at_data->at[ia1].x = orig_at_data->at[ia2].x;
         orig_at_data->at[ia1].y = orig_at_data->at[ia2].y;
         orig_at_data->at[ia1].z = orig_at_data->at[ia2].z;
-        
+
         orig_at_data->at[ia2].x = x;
         orig_at_data->at[ia2].y = y;
         orig_at_data->at[ia2].z = z;
@@ -2418,10 +2417,10 @@ void swap_atoms_xyz( ORIG_ATOM_DATA *orig_at_data, int ia1, int ia2 )
 /****************************************************************************
  OAD_StructureEdits_Edit
 ****************************************************************************/
-int OAD_StructureEdits_Apply( STRUCT_DATA *sd, 
-                              INPUT_PARMS *ip, 
-                              ORIG_ATOM_DATA *orig_at_data, 
-                              OAD_StructureEdits *ed, 
+int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
+                              INPUT_PARMS *ip,
+                              ORIG_ATOM_DATA *orig_at_data,
+                              OAD_StructureEdits *ed,
                               int *ret)
 {
     int ok = 0, fail;
@@ -2469,7 +2468,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
             n_edits++;
         }
     }
-    
+
     /* Add bonds */
     if (n_new_bond)
     {
@@ -2488,7 +2487,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
             n_edits++;
         }
     }
-    
+
     /* Modify bonds */
     if (n_mod_bond)
     {
@@ -2551,7 +2550,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
         }
     }
 
-    
+
     /* Delete atoms */
     if (n_del_atom)
     {
@@ -2572,7 +2571,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
             goto exit_function;
         }
 
-        fail = mark_atoms_to_delete_or_renumber(orig_at_data, ed, at_renum); 
+        fail = mark_atoms_to_delete_or_renumber(orig_at_data, ed, at_renum);
         if (fail)
         {
             *ret = _IS_ERROR;
@@ -2594,20 +2593,20 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
             AT_NUMB nbr0[MAXVAL];
             U_CHAR btype0[MAXVAL];
             int m, macc, valen;
-            int new_num = at_renum[i];				
+            int new_num = at_renum[i];
             if (new_num == -1)
             {
                 /* Skip removed atom */
                 continue;
             }
 
-            /* Atom to keep; copy it */ 
+            /* Atom to keep; copy it */
             new_at0 = new_at + nacc;
             ++nacc;
             memcpy(new_at0, orig_at_data->at + i, sizeof(new_at[0]));
             /* Correct its own number(s) */
             new_at0->orig_at_number = new_num + 1;
-            
+
             /* Correct its nbr number(s) */
             valen = new_at0->valence;
             memcpy(nbr0, new_at0->neighbor, valen * sizeof(AT_NUMB));
@@ -2620,7 +2619,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
                 if (renum2 == num2)
                 {
                     /* keep old */
-                    new_at0->neighbor[macc++] = num2; 
+                    new_at0->neighbor[macc++] = num2;
                 }
                 else if (renum2 == -1)
                 {
@@ -2628,7 +2627,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
                     new_at0->chem_bonds_valence -= btype0[m];
                     new_at0->valence--;
                 }
-                else 
+                else
                 {
                     /* set renumbered */
                     new_at0->neighbor[macc++] = renum2;
@@ -2746,7 +2745,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
 
 
     } /* if (n_del_atom) */
-    
+
 
 exit_function:
     if (ibuf)
@@ -2759,7 +2758,7 @@ int OAD_StructureEdits_Apply( STRUCT_DATA *sd,
     }
     return n_edits;
 }
-                                
+
 
 /****************************************************************************
  Set each element of number to renum[element] or delete it if renum==(base -1)
@@ -2868,7 +2867,7 @@ int ProcessOneStructureExCore( struct tagINCHI_CLOCK *ic,
 
 
 /****************************************************************************
- Treat pseudoelement and polymers: parse, validate and set details 
+ Treat pseudoelement and polymers: parse, validate and set details
 ****************************************************************************/
 int ValidateAndPreparePolymerAndPseudoatoms( struct tagINCHI_CLOCK *ic,
                                              struct tagCANON_GLOBALS *CG,
@@ -2891,7 +2890,7 @@ int ValidateAndPreparePolymerAndPseudoatoms( struct tagINCHI_CLOCK *ic,
     int res = _IS_OKAY;
 
     int mind_pseudoelements = 0;
-    
+
     *mind_polymers = orig_inp_data && orig_inp_data->polymer && orig_inp_data->polymer->n > 0;
     *mind_polymers = *mind_polymers && orig_inp_data->valid_polymer &&
         (ip->nInputType == INPUT_MOLFILE || ip->nInputType == INPUT_SDFILE);
@@ -2923,8 +2922,8 @@ int ValidateAndPreparePolymerAndPseudoatoms( struct tagINCHI_CLOCK *ic,
             ip->bPolymers != POLYMERS_MODERN &&
             (ip->bFrameShiftScheme == FSS_STARS_CYCLED || ip->bFrameShiftScheme == FSS_STARS_CYCLED_SORTED))
         {
-            /*  Analyze and cyclize frame-shift eligible CRUs using InChI canonical numbers 
-                (do this only at older polymer treatment modes 1.05, 1.05+)					
+            /*  Analyze and cyclize frame-shift eligible CRUs using InChI canonical numbers
+                (do this only at older polymer treatment modes 1.05, 1.05+)
             */
             res = OAD_Polymer_CyclizeCloseableUnits( orig_inp_data,
                                                      ip->bPolymers,
@@ -2951,7 +2950,7 @@ int ValidateAndPreparePolymerAndPseudoatoms( struct tagINCHI_CLOCK *ic,
 /****************************************************************************
  Get InChI and AuxInfo of totally unedited original structure.
  The intent is to preserve AuxInfo for the very original structure
- in order to keep a final ability to restore that structure. 
+ in order to keep a final ability to restore that structure.
 ****************************************************************************/
 int OAD_ProcessOneStructureNoEdits( struct tagINCHI_CLOCK    *ic,
                                     struct tagCANON_GLOBALS  *CG,
@@ -2970,7 +2969,7 @@ int OAD_ProcessOneStructureNoEdits( struct tagINCHI_CLOCK    *ic,
                                     INCHI_IOS_STRING         *strbuf,
                                     unsigned char            save_opt_bits,
                                     int                      *n_pzz,
-                                    char					 **sinchi, 
+                                    char					 **sinchi,
                                     char					 **saux)
 {
     size_t slen;
@@ -3013,7 +3012,7 @@ int OAD_ProcessOneStructureNoEdits( struct tagINCHI_CLOCK    *ic,
     {
         goto exit_function;
     }
-    
+
     *n_pzz = dup->orig_inp_data->polymer->n_pzz;
     /* Extract InChI */
     slen = dup->out_file->s.nUsedLength;
@@ -3150,9 +3149,9 @@ int mark_atoms_to_delete_or_renumber( ORIG_ATOM_DATA *orig_at_data,
     size_t *atnums = NULL; /* djb-rwth: needs to be size_t type */
     size_t max_atoms = orig_at_data->num_inp_atoms;
 
-    /* NB:	new/old ORIG_ATOM_DATA atom numbers are 0-based (==orig_number-1) 
+    /* NB:	new/old ORIG_ATOM_DATA atom numbers are 0-based (==orig_number-1)
             while those in ed->... are just 1-based orig_numbers */
-    
+
     for (i = 0; (size_t)i < max_atoms; i++)
     {
         at_renum[i] = i;
@@ -3219,7 +3218,7 @@ int mark_atoms_to_delete_or_renumber( ORIG_ATOM_DATA *orig_at_data,
     for (i = max_atoms - 1; i >= 0; i--)
     {
         int orig_num = i + 1;	/* NB: ed->del_atom->item contains orig# which are (OAD# + 1) */
-        if (is_in_the_ilist(ed->del_atom->item, orig_num, ed->del_atom->used)) 
+        if (is_in_the_ilist(ed->del_atom->item, orig_num, ed->del_atom->used))
         {
             /* mark as deleted atnum */
             at_renum[i] = -1;
@@ -3262,7 +3261,7 @@ int check_presence_of_the_encoded_substructure(ORIG_ATOM_DATA *oad)
     /* Place sub-structure filtering code below.
 
        Return 1 if structure matches some hard-coded pattern
-       
+
        In this example pattern is a presence of a pseudo atom.
     */
 
diff --git a/INCHI-1-SRC/INCHI_EXE/inchi-1/src/CMakeLists.txt b/INCHI-1-SRC/INCHI_EXE/inchi-1/src/CMakeLists.txt
index ead78dec..8b83d19d 100644
--- a/INCHI-1-SRC/INCHI_EXE/inchi-1/src/CMakeLists.txt
+++ b/INCHI-1-SRC/INCHI_EXE/inchi-1/src/CMakeLists.txt
@@ -25,9 +25,10 @@ include_directories(${P_BASE} ${P_CURRENT})
 add_executable(inchi-1)
 
 target_sources(inchi-1 PRIVATE
-	dispstru.c
-	dispstru.h
-	ichimain.c
+	main.c
+	${P_BASE}/ichimain.c
+	${P_BASE}/dispstru.c
+	${P_BASE}/dispstru.h
 	${P_BASE}/bcf_s.h
 	${P_BASE}/bcf_s.c
 	${P_BASE}/extr_ct.h
@@ -132,8 +133,8 @@ if(MATH_LIBRARY)
     target_link_libraries(inchi-1 PUBLIC ${MATH_LIBRARY})
 endif()
 
-target_compile_definitions(inchi-1 PRIVATE 
-	COMPILE_ANSI_ONLY 
+target_compile_definitions(inchi-1 PRIVATE
+	COMPILE_ANSI_ONLY
 	TARGET_EXE_STANDALONE
 	ADD_AMI_MODE
 )
@@ -141,4 +142,4 @@ target_compile_definitions(inchi-1 PRIVATE
 target_include_directories(inchi-1 PUBLIC "${PROJECT_BINARY_DIR}")
 
 string(REGEX REPLACE "/RTC(su|[1su])" "" CMAKE_C_FLAGS_DEBUG "${CMAKE_C_FLAGS_DEBUG}")
-string(REGEX REPLACE "/RTC(su|[1su])" "" CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG}")
\ No newline at end of file
+string(REGEX REPLACE "/RTC(su|[1su])" "" CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG}")
diff --git a/INCHI-1-SRC/INCHI_EXE/inchi-1/src/main.c b/INCHI-1-SRC/INCHI_EXE/inchi-1/src/main.c
new file mode 100644
index 00000000..5e1f3f46
--- /dev/null
+++ b/INCHI-1-SRC/INCHI_EXE/inchi-1/src/main.c
@@ -0,0 +1,266 @@
+/*
+ * International Chemical Identifier (InChI)
+ * Version 1
+ * Software version 1.07
+ * April 30, 2024
+ *
+ * MIT License
+ *
+ * Copyright (c) 2024 IUPAC and InChI Trust
+ *
+ * Permission is hereby granted, free of charge, to any person obtaining a copy
+ * of this software and associated documentation files (the "Software"), to deal
+ * in the Software without restriction, including without limitation the rights
+ * to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+ * copies of the Software, and to permit persons to whom the Software is
+ * furnished to do so, subject to the following conditions:
+ *
+ * The above copyright notice and this permission notice shall be included in all
+ * copies or substantial portions of the Software.
+ *
+ * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+ * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+ * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+ * AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+ * LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+ * OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+ * SOFTWARE.
+*
+* The InChI library and programs are free software developed under the
+ * auspices of the International Union of Pure and Applied Chemistry (IUPAC).
+ * Originally developed at NIST.
+ * Modifications and additions by IUPAC and the InChI Trust.
+ * Some portions of code were developed/changed by external contributors
+ * (either contractor or volunteer) which are listed in the file
+ * 'External-contributors' included in this distribution.
+ *
+ * info@inchi-trust.org
+ *
+*/
+
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+#include <ctype.h>
+#include <stdarg.h>
+#include <errno.h>
+#include <limits.h>
+#include <float.h>
+#include <ctype.h>
+#include <locale.h>
+
+#ifndef COMPILE_ANSI_ONLY
+#include <conio.h>
+#ifndef TARGET_LIB_FOR_WINCHI
+#include <windows.h>
+#endif
+#endif
+
+#include "../../../INCHI_BASE/src/mode.h"
+
+#if( BUILD_WITH_AMI == 1 && defined( _MSC_VER ) && MSC_AMI == 1 )
+#include <malloc.h>
+#include <io.h>
+#endif
+
+
+#ifdef _WIN32
+#include <crtdbg.h>
+#endif
+#include "../../../INCHI_BASE/src/ichitime.h"
+#include "../../../INCHI_BASE/src/incomdef.h"
+#include "../../../INCHI_BASE/src/ichidrp.h"
+#include "../../../INCHI_BASE/src/inpdef.h"
+#include "../../../INCHI_BASE/src/ichi.h"
+#include "../../../INCHI_BASE/src/strutil.h"
+#include "../../../INCHI_BASE/src/util.h"
+#include "../../../INCHI_BASE/src/ichierr.h"
+#include "../../../INCHI_BASE/src/ichimain.h"
+#include "../../../INCHI_BASE/src/ichicomp.h"
+#include "../../../INCHI_BASE/src/ichi_io.h"
+#ifdef TARGET_EXE_STANDALONE
+#include "../../../INCHI_BASE/src/inchi_api.h"
+#endif
+
+#include "../../../INCHI_BASE/src/bcf_s.h"
+#include "../../../INCHI_BASE/src/permutation_util.h"
+
+ /*  Console-specific */
+
+#if !defined(TARGET_API_LIB) && !defined(COMPILE_ANSI_ONLY)
+
+/* Use Windows additional features */
+
+
+/****************************************************************************/
+int user_quit(struct tagINCHI_CLOCK* ic,
+    const char* msg,
+    unsigned long ulMaxTime)
+{
+#if defined(TARGET_LIB_FOR_WINCHI)
+    return 0;
+#endif
+
+#if ( !defined(TARGET_LIB_FOR_WINCHI) && defined(_WIN32) )
+
+    int quit, enter, ret;
+    printf("%s", msg); /* djb-rwth: format string added for security */
+    if (ulMaxTime)
+    {
+        inchiTime  ulEndTime;
+        InchiTimeGet(&ulEndTime);
+        InchiTimeAddMsec(ic, &ulEndTime, ulMaxTime);
+        while (!_kbhit())
+        {
+            if (bInchiTimeIsOver(ic, &ulEndTime))
+            {
+                printf("\n");
+                return 0;
+            }
+            MySleep(100);
+        }
+    }
+    while (1)
+    {
+        quit = ('q' == (ret = _getch()) || 'Q' == ret || /*Esc*/ 27 == ret); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
+        enter = ('\r' == ret);
+        if (ret == 0xE0)
+        {
+            ret = _getch(); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
+        }
+        else
+        {
+            _putch(ret); /* echo */
+        }
+        if (quit || enter)
+        {
+            break;
+        }
+        printf("\r");
+        printf("%s", msg); /* djb-rwth: format string added for security */
+    }
+    _putch('\n');
+
+    return quit;
+#else
+    return 0;
+
+#endif    /* #if ( defined(_WIN32) && !defined(TARGET_LIB_FOR_WINCHI) ) */
+}
+
+
+/****************************************************************************/
+void eat_keyboard_input(void)
+{
+    int ret_val; /* djb-rwth: adding return value */ /* djb-rwth: ignoring LLVM warning */
+#ifndef TARGET_LIB_FOR_WINCHI
+
+    while (_kbhit())
+    {
+        if (0xE0 == _getch())
+        {
+            ret_val = _getch(); /* djb-rwth: return value variable added */
+        }
+    }
+
+#endif
+}
+
+#endif /* end of !COMPILE_ANSI_ONLY */
+
+
+// #ifndef TARGET_LIB_FOR_WINCHI
+/* COVERS THE CODE FROM HERE TO THE END OF FILE */
+
+
+/* Enable/disable internal tests */
+
+/* Uncomment for INCHI_LIB testing only */
+/*#define TEST_FPTRS*/
+
+/* Windows-console-mode specific */
+
+int bInterrupted = 0;
+
+#if ( defined( _WIN32 ) && defined( _CONSOLE ) )
+#ifndef COMPILE_ANSI_ONLY
+
+
+/****************************************************************************/
+BOOL WINAPI MyHandlerRoutine(DWORD dwCtrlType   /*   control signal type */)
+{
+    if (dwCtrlType == CTRL_C_EVENT ||
+        dwCtrlType == CTRL_BREAK_EVENT ||
+        dwCtrlType == CTRL_CLOSE_EVENT ||
+        dwCtrlType == CTRL_LOGOFF_EVENT)
+    {
+        bInterrupted = 1;
+        return TRUE;
+    }
+    return FALSE;
+}
+
+
+/****************************************************************************/
+int WasInterrupted(void)
+{
+#ifdef _DEBUG
+    if (bInterrupted)
+    {
+        int stop = 1;  /*  for debug only <BRKPT> */
+    }
+#endif
+    return bInterrupted;
+}
+#if ( BUILD_WITH_AMI == 1 )
+#define CTRL_STOP_EVENT 101
+#endif
+#endif /* ifndef COMPILE_ANSI_ONLY */
+#endif /* if( defined( _WIN32 ) && defined( _CONSOLE ) ) */
+
+
+
+/****************************************************************************/
+int main(int argc, char* argv[])
+{
+#ifdef GHI100_FIX
+#if ((SPRINTF_FLAG != 1) && (SPRINTF_FLAG != 2))
+    setlocale(LC_ALL, "en-US"); /* djb-rwth: setting all locales to "en-US" */
+#endif
+#endif
+
+/*************************/
+// #if ( BUILD_WITH_AMI == 1 )
+/*************************/
+
+/**** IF IN AMI MODE, main() STARTS HERE ****/
+    int i, ret = 0, ami = 0;  /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
+
+    /* Check if multiple inputs expected */
+    for (i = 1; i < argc; i++)
+    {
+        if (argv[i][0] == INCHI_OPTION_PREFX)
+        {
+            if (!inchi_stricmp(argv[i] + 1, "AMI"))
+            {
+                ami = 1;
+                break;
+            }
+        }
+    }
+
+    if (ami)
+    {
+        ret = ProcessMultipleInputFiles(argc, argv); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
+    }
+    else
+    {
+        ret = ProcessSingleInputFile(argc, argv); /* djb-rwth: ignoring LLVM warning: variable used to store function return value */
+    }
+
+    return 0;
+}
+
+
+// #endif  /* ifndef TARGET_LIB_FOR_WINCHI */
+
diff --git a/INCHI-1-TEST/tests/test_unit/fixtures/caffeine.mol b/INCHI-1-TEST/tests/test_unit/fixtures/caffeine.mol
new file mode 100644
index 00000000..9373920c
--- /dev/null
+++ b/INCHI-1-TEST/tests/test_unit/fixtures/caffeine.mol
@@ -0,0 +1,55 @@
+C8H10N4O2
+APtclcactv08142501153D 0   0.00000     0.00000
+ 
+ 24 25  0  0  0  0  0  0  0  0999 V2000
+    1.3120   -1.0479    0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
+    2.2465   -2.1762    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.7906    0.2081    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
+    2.9938    0.3838    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
+    0.9714    1.2767   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
+    1.5339    2.6294   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.4026    1.0989   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.4446    1.9342   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.5608    1.2510   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.2862   -0.0680    0.0015 N   0  0  0  0  0  0  0  0  0  0  0  0
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+
diff --git a/INCHI-1-TEST/tests/test_unit/fixtures/naloxon.mol b/INCHI-1-TEST/tests/test_unit/fixtures/naloxon.mol
new file mode 100644
index 00000000..6768159d
--- /dev/null
+++ b/INCHI-1-TEST/tests/test_unit/fixtures/naloxon.mol
@@ -0,0 +1,99 @@
+naloxon
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+M  END
\ No newline at end of file
diff --git a/INCHI-1-TEST/tests/test_unit/fixtures/test_mols.sdf b/INCHI-1-TEST/tests/test_unit/fixtures/test_mols.sdf
new file mode 100644
index 00000000..d3d970d8
--- /dev/null
+++ b/INCHI-1-TEST/tests/test_unit/fixtures/test_mols.sdf
@@ -0,0 +1,1976 @@
+Compound 20652
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+Compound 20656
+
+>  <Catalog #>
+BIO-992
+
+>  <Name>
+VASOPRESSIN
+
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+
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+
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+
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\ No newline at end of file
diff --git a/INCHI-1-TEST/tests/test_unit/fixtures/test_mols_2.sdf b/INCHI-1-TEST/tests/test_unit/fixtures/test_mols_2.sdf
new file mode 100644
index 00000000..4e335bd9
--- /dev/null
+++ b/INCHI-1-TEST/tests/test_unit/fixtures/test_mols_2.sdf
@@ -0,0 +1,320 @@
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+ 56 65  1  0  0  0  0
+ 56 66  1  0  0  0  0
+ 57 67  2  0  0  0  0
+ 57 68  1  0  0  0  0
+ 60 69  1  0  0  0  0
+ 61 70  1  0  0  0  0
+ 62 71  1  0  0  0  0
+ 63 72  2  0  0  0  0
+ 63 73  1  0  0  0  0
+ 64 74  2  0  0  0  0
+ 64 75  1  0  0  0  0
+ 69 76  1  0  0  0  0
+ 69 77  1  6  0  0  0
+ 70 78  1  6  0  0  0
+ 70 79  1  0  0  0  0
+ 71 80  1  1  0  0  0
+ 71 81  1  0  0  0  0
+ 74 82  1  0  0  0  0
+ 75 83  2  0  0  0  0
+ 76 84  1  6  0  0  0
+ 81 85  1  0  0  0  0
+ 82 86  1  0  0  0  0
+ 82 87  2  0  0  0  0
+ 85 88  2  0  0  0  0
+ 85 89  1  0  0  0  0
+ 86 90  2  0  0  0  0
+ 86 91  1  0  0  0  0
+ 87 92  1  0  0  0  0
+ 89 93  1  0  0  0  0
+ 90 94  1  0  0  0  0
+ 90 95  1  0  0  0  0
+ 91 96  2  0  0  0  0
+ 93 97  1  1  0  0  0
+ 95 98  2  0  0  0  0
+ 97 99  2  0  0  0  0
+ 97100  1  0  0  0  0
+ 98101  1  0  0  0  0
+  7  9  1  0  0  0  0
+ 17 22  1  0  0  0  0
+ 34 40  1  0  0  0  0
+ 37 46  1  0  0  0  0
+ 52 62  1  0  0  0  0
+ 70 76  1  0  0  0  0
+ 81 73  1  1  0  0  0
+ 83 87  1  0  0  0  0
+ 91 93  1  0  0  0  0
+ 96 98  1  0  0  0  0
+M  END
+>  <Molecule Name>
+Compound 20652
+
+>  <Catalog #>
+BIO-423
+
+>  <Name>
+VANCOMYCIN HYDROCHLORIDE
+
+>  <Category>
+Products for Life Science
+
+>  <CAS#>
+1404-93-9
+
+>  <MW>
+1485.7
+
+>  <PURITY>
+'93.5% (Vanomycin base)
+
+>  <MFCD>
+MFCD03613611
+
+$$$$
+caffeine
+APtclcactv08142501153D 0   0.00000     0.00000
+ 
+ 24 25  0  0  0  0  0  0  0  0999 V2000
+    1.3120   -1.0479    0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
+    2.2465   -2.1762    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.7906    0.2081    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
+    2.9938    0.3838    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
+    0.9714    1.2767   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
+    1.5339    2.6294   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.4026    1.0989   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.4446    1.9342   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.5608    1.2510   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.2862   -0.0680    0.0015 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.2614   -1.1612    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.9114   -0.1939    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.0163   -1.2853   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.4380   -2.4279   -0.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
+    3.2697   -1.8004    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.0830   -2.7828    0.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.0821   -2.7846   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.6223    2.5703   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.1987    3.1611   -0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.1990    3.1632    0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.5520    1.6797   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.5037   -1.4333   -1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.8389   -2.0244    0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -4.1672   -0.8395    0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  3  1  0  0  0  0
+  3  4  2  0  0  0  0
+  3  5  1  0  0  0  0
+  5  6  1  0  0  0  0
+  5  7  1  0  0  0  0
+  7  8  1  0  0  0  0
+  8  9  2  0  0  0  0
+  9 10  1  0  0  0  0
+ 10 11  1  0  0  0  0
+ 10 12  1  0  0  0  0
+  7 12  2  0  0  0  0
+ 12 13  1  0  0  0  0
+  1 13  1  0  0  0  0
+ 13 14  2  0  0  0  0
+  2 15  1  0  0  0  0
+  2 16  1  0  0  0  0
+  2 17  1  0  0  0  0
+  6 18  1  0  0  0  0
+  6 19  1  0  0  0  0
+  6 20  1  0  0  0  0
+  9 21  1  0  0  0  0
+ 11 22  1  0  0  0  0
+ 11 23  1  0  0  0  0
+ 11 24  1  0  0  0  0
+M  END
+>  <Molecule Name>
+caffeine
+
+>  <Catalog #>
+XXXX
+
+>  <Name>
+CAFFEINE
+
+>  <Category>
+something something
+
+>  <CAS#>
+
+
+>  <MW>
+
+
+>  <PURITY>
+'
+
+>  <MFCD>
+???
+
+$$$$
\ No newline at end of file
diff --git a/INCHI-1-TEST/tests/test_unit/test_ichimain.cpp b/INCHI-1-TEST/tests/test_unit/test_ichimain.cpp
index 912eed02..b6f266bb 100644
--- a/INCHI-1-TEST/tests/test_unit/test_ichimain.cpp
+++ b/INCHI-1-TEST/tests/test_unit/test_ichimain.cpp
@@ -1,13 +1,521 @@
 #include <gtest/gtest.h>
 #include <gmock/gmock.h>
+#include <unistd.h>
+#include <sys/stat.h>
+#include <fstream>
+#include <filesystem>
+#include <vector>
 
 extern "C"
 {
+#include "../../../INCHI-1-SRC/INCHI_BASE/src/ichitime.h"
+#include "../../../INCHI-1-SRC/INCHI_BASE/src/ichicant.h"
 #include "../../../INCHI-1-SRC/INCHI_BASE/src/ichi_io.h"
 #include "../../../INCHI-1-SRC/INCHI_BASE/src/ichimain.h"
 }
 
-TEST(ichimain_testing, test_GetTheNextRecordOfInputFile)
+static char* make_arg(const char* s) {
+    size_t len = strlen(s) + 1;
+    char* p = (char*)malloc(len);
+    memcpy(p, s, len);
+    return p;
+}
+
+char *read_inchi_from_file(const char *filename) {
+
+    std::ifstream txt_in(filename);
+    txt_in.is_open();
+    std::string line;
+    std::string found_inchi;
+    while (std::getline(txt_in, line)) {
+        // trim leading/trailing whitespace
+        size_t start = line.find_first_not_of(" \t\r\n");
+        if (start == std::string::npos) continue;
+        size_t end = line.find_last_not_of(" \t\r\n");
+        std::string trimmed = line.substr(start, end - start + 1);
+        if (trimmed.rfind("InChI=", 0) == 0) {
+            found_inchi = trimmed;
+            break;
+        } else if (trimmed.find("InChI=", 0) != std::string::npos) {
+            size_t start_pos = trimmed.find("InChI=");
+            if(start_pos != 0) {
+                found_inchi = trimmed.substr(start_pos);
+            } else {
+                found_inchi = trimmed;
+            }
+
+            break;
+        }
+    }
+    txt_in.close();
+
+    return make_arg(found_inchi.c_str());
+}
+
+TEST(test_ichimain, test_CalcAndPrintINCHIAndINCHIKEY) {
+
+    INCHI_IOSTREAM input_stream;
+
+    const char *molblock =
+        "enhanc_stereo1									   \n"
+        "  ACD/LABS08242216132D                            \n"
+        "												   \n"
+        "  0  0  0  0  0  0  0  0  0  0999 V3000           \n"
+        "M  V30 BEGIN CTAB                                 \n"
+        "M  V30 COUNTS 18 17 0 0 1                         \n"
+        "M  V30 BEGIN ATOM                                 \n"
+        "M  V30 1 C 3424.1946 -1936.7935 0 0               \n"
+        "M  V30 2 C 3352.3145 -1895.2935 0 0               \n"
+        "M  V30 3 C 3280.4346 -1936.7935 0 0               \n"
+        "M  V30 4 C 3208.5542 -1895.2935 0 0               \n"
+        "M  V30 5 C 3136.6743 -1936.7935 0 0               \n"
+        "M  V30 6 C 3064.7944 -1895.2935 0 0               \n"
+        "M  V30 7 Br 3136.6743 -2019.7935 0 0              \n"
+        "M  V30 8 Cl 3208.5542 -1812.2935 0 0              \n"
+        "M  V30 9 Cl 3280.4346 -2019.7935 0 0              \n"
+        "M  V30 10 Cl 3352.3145 -1812.2935 0 0             \n"
+        "M  V30 11 Cl 3424.1946 -2019.7935 0 0             \n"
+        "M  V30 12 C 3496.075 -1895.2935 0 0               \n"
+        "M  V30 13 C 3567.9548 -1936.7942 0 0              \n"
+        "M  V30 14 C 3639.835 -1895.2944 0 0               \n"
+        "M  V30 15 C 3711.7148 -1936.7942 0 0              \n"
+        "M  V30 16 Cl 3639.835 -1812.2944 0 0              \n"
+        "M  V30 17 Cl 3567.9548 -2019.7942 0 0             \n"
+        "M  V30 18 Cl 3496.075 -1812.2937 0 0              \n"
+        "M  V30 END ATOM                                   \n"
+        "M  V30 BEGIN BOND                                 \n"
+        "M  V30 1 1 1 2                                    \n"
+        "M  V30 2 1 1 11 CFG=3                             \n"
+        "M  V30 3 1 1 12                                   \n"
+        "M  V30 4 1 2 3                                    \n"
+        "M  V30 5 1 2 10 CFG=1                             \n"
+        "M  V30 6 1 3 4                                    \n"
+        "M  V30 7 1 3 9 CFG=1                              \n"
+        "M  V30 8 1 4 5                                    \n"
+        "M  V30 9 1 4 8 CFG=1                              \n"
+        "M  V30 10 1 5 6                                   \n"
+        "M  V30 11 1 5 7 CFG=1                             \n"
+        "M  V30 12 1 12 13                                 \n"
+        "M  V30 13 1 12 18 CFG=3                           \n"
+        "M  V30 14 1 13 14                                 \n"
+        "M  V30 15 1 13 17 CFG=1                           \n"
+        "M  V30 16 1 14 15                                 \n"
+        "M  V30 17 1 14 16 CFG=1                           \n"
+        "M  V30 END BOND                                   \n"
+        "M  V30 BEGIN COLLECTION                           \n"
+        "M  V30 MDLV30/STERAC2 ATOMS=(1 1)                 \n"
+        "M  V30 MDLV30/STERAC1 ATOMS=(2 2 3)               \n"
+        "M  V30 MDLV30/STEABS ATOMS=(2 4 5)                \n"
+        "M  V30 MDLV30/STEREL1 ATOMS=(2 12 13)             \n"
+        "M  V30 MDLV30/STEREL2 ATOMS=(1 14)                \n"
+        "M  V30 END COLLECTION                             \n"
+        "M  V30 END CTAB                                   \n"
+        "M  END                                            \n";
+
+    inchi_ios_init(&input_stream, INCHI_IOS_TYPE_STRING, nullptr);
+    inchi_ios_print_nodisplay(&input_stream, molblock);
+
+    INCHI_CLOCK ic = {};
+    memset(&ic, 0, sizeof(ic));
+
+    STRUCT_DATA *sd = new STRUCT_DATA;
+    // sd->ulStructTime = 0;
+    INPUT_PARMS *ip = new INPUT_PARMS;
+
+    memset(ip, 0, sizeof(*ip));
+    ip->last_struct_number = 1;
+    ip->nInputType = INPUT_MOLFILE;
+    ip->bINChIOutputOptions = INCHI_OUT_PLAIN_TEXT;
+
+    char *szTitle;
+    INCHI_IOSTREAM *inp_file;
+    INCHI_IOSTREAM *plog = new INCHI_IOSTREAM;
+    INCHI_IOSTREAM *pout = new INCHI_IOSTREAM;
+    INCHI_IOSTREAM *pprb = new INCHI_IOSTREAM;
+    ORIG_ATOM_DATA orig_at_data = {};
+    long *num_inp = new long(0);
+
+    STRUCT_FPTRS *pStructPtrs = nullptr;
+
+    int nRet = 0;
+    int have_err_in_GetOneStructure = 0;
+    long num_err = 0;
+    int output_error_inchi;
+
+    int bReleaseVersion = bRELEASE_VERSION;
+    unsigned long  ulDisplTime = 0;
+    unsigned long  ulTotalProcessingTime = 0;
+
+    int argc = 0;
+    char *argv[1];
+    char *szSdfDataValue = nullptr;
+
+    ReadCommandLineParms(argc, (const char**)argv, ip,
+        szSdfDataValue, &ulDisplTime,
+        bReleaseVersion, plog);
+
+    const char* inchi_filename = "../../../../../INCHI-1-TEST/tests/test_unit/fixtures/output.txt";
+    FILE *file_inchi = nullptr;
+    file_inchi = fopen(inchi_filename, "w");
+    EXPECT_NE(file_inchi, nullptr);
+
+    inchi_ios_init(pout, INCHI_IOS_TYPE_FILE, file_inchi);
+    inchi_ios_init(plog, INCHI_IOS_TYPE_STRING, stdout);
+    inchi_ios_init(pprb, INCHI_IOS_TYPE_STRING, nullptr);
+
+    inchi_ios_flush2(plog, stderr);
+
+    int ret = GetTheNextRecordOfInputFile(
+        &ic,
+        sd,
+        ip,
+        szTitle,
+        &input_stream,
+        plog,
+        pout,
+        pprb,
+        &orig_at_data,
+        num_inp,
+        pStructPtrs,
+        &nRet,
+        &have_err_in_GetOneStructure,
+        &num_err,
+        output_error_inchi);
+
+    EXPECT_EQ(ret, DO_NEXT_STEP);
+    EXPECT_EQ(orig_at_data.num_inp_atoms, 18);
+    EXPECT_EQ(orig_at_data.num_inp_bonds, 17);
+
+    CANON_GLOBALS CG = {};
+    PINChI2* pINChI[INCHI_NUM] = {};
+    PINChI_Aux2* pINChI_Aux[INCHI_NUM] = {};
+    ORIG_ATOM_DATA prep_inp_data = {};
+    INCHI_IOS_STRING *strbuf = new INCHI_IOS_STRING;
+    memset(strbuf, 0, sizeof(*strbuf));
+    inchi_strbuf_init(strbuf, INCHI_STRBUF_INITIAL_SIZE, INCHI_STRBUF_SIZE_INCREMENT);
+
+    unsigned long pulTotalProcessingTime = 0;
+    char* pLF;
+    char* pTAB;
+    char* ikey;
+    int silent;
+
+    set_line_separators(ip->bINChIOutputOptions, &pLF, &pTAB);
+
+    // int CalcAndPrintINCHIAndINCHIKEY(struct tagINCHI_CLOCK* ic,
+    //     CANON_GLOBALS* CG,
+    //     STRUCT_DATA* sd,
+    //     INPUT_PARMS* ip,
+    //     char* szTitle,
+    //     PINChI2* pINChI[INCHI_NUM],
+    //     PINChI_Aux2* pINChI_Aux[INCHI_NUM],
+    //     INCHI_IOSTREAM* inp_file,
+    //     INCHI_IOSTREAM* plog,
+    //     INCHI_IOSTREAM* pout,
+    //     INCHI_IOSTREAM* pprb,
+    //     ORIG_ATOM_DATA* orig_inp_data,
+    //     ORIG_ATOM_DATA* prep_inp_data,
+    //     long* num_inp,
+    //     STRUCT_FPTRS* pStructPtrs,
+    //     int* nRet,
+    //     int have_err_in_GetOneStructure,
+    //     long* num_err,
+    //     int output_error_inchi,
+    //     INCHI_IOS_STRING* strbuf,
+    //     unsigned long* pulTotalProcessingTime,
+    //     char* pLF,
+    //     char* pTAB,
+    //     char* ikey,
+    //     int silent)
+
+    ret = CalcAndPrintINCHIAndINCHIKEY(
+        &ic,
+        &CG,
+        sd,
+        ip,
+        szTitle,
+        pINChI,
+        pINChI_Aux,
+        &input_stream,
+        plog,
+        pout,
+        pprb,
+        &orig_at_data,
+        &prep_inp_data,
+        num_inp,
+        pStructPtrs,
+        &nRet,
+        have_err_in_GetOneStructure,
+        &num_err,
+        output_error_inchi,
+        strbuf,
+        &pulTotalProcessingTime,
+        pLF,
+        pTAB,
+        ikey,
+        silent
+    );
+
+    EXPECT_EQ(ret, DO_NEXT_STEP);
+
+    if (file_inchi != nullptr) {
+        fclose(file_inchi);
+    }
+
+    char *found_inchi = read_inchi_from_file(inchi_filename);
+
+    EXPECT_NE(found_inchi, nullptr);
+
+    const char *inchi = "InChI=1S/C10H14BrCl7/c1-3(11)5(13)7(15)9(17)10(18)8(16)6(14)4(2)12/h3-10H,1-2H3/t3-,4-,5+,6+,7-,8+,9+,10-/m0/s1";
+
+    EXPECT_STREQ(inchi, found_inchi); //pout->s.pStr);
+
+    free(found_inchi);
+
+    remove(inchi_filename);
+
+    FreeAllINChIArrays(pINChI, pINChI_Aux, sd->num_components);
+
+    inchi_strbuf_close(strbuf);
+    inchi_ios_free_str(&input_stream);
+    FreeOrigAtData(&orig_at_data);
+    FreeOrigAtData(&prep_inp_data);
+    SetBitFree(&CG);
+
+    for (int i = 0; i < MAX_NUM_PATHS; i++)
+    {
+        if (ip->path[i])
+        {
+            inchi_free((void*)ip->path[i]); /*  cast deliberately discards 'const' qualifier */
+            ip->path[i] = NULL;
+        }
+    }
+
+    delete ip;
+    delete sd;
+    delete plog;
+    delete pout;
+    delete pprb;
+    delete num_inp;
+    delete strbuf;
+
+}
+
+TEST(test_ichimain, test_ProcessMultipleInputFiles_2mol_files)
+{
+
+    std::vector<std::string> expected_inchis = {
+        "InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14?,17-,18-,19+/m0/s1",
+        "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3"
+    };
+
+    std::vector<std::string> input_mols = {
+        "naloxon.mol",
+        "caffeine.mol"
+    };
+
+    const char *path_fixtures = "../../../../../INCHI-1-TEST/tests/test_unit/fixtures";
+
+    char tmpl[] = "../../../../../INCHI-1-TEST/tests/test_unit/fixtures/inchi_mol_test_XXXXXX";
+    char *tmpd = mkdtemp(tmpl);
+    ASSERT_NE(tmpd, nullptr);
+
+    std::vector<std::string> dist_paths;
+    for (auto cur_filename : input_mols) {
+        std::string src_path = std::string(path_fixtures) + "/" + cur_filename;
+        std::string dst_path = std::string(tmpd) + "/" + cur_filename;
+        std::ifstream src(src_path, std::ios::binary);
+        ASSERT_TRUE(src.is_open());
+        std::ofstream dst(dst_path, std::ios::binary);
+        ASSERT_TRUE(dst.is_open());
+        dst << src.rdbuf();
+        src.close();
+        dst.close();
+
+        dist_paths.push_back(dst_path);
+    }
+
+    int argc = input_mols.size() + 2;
+
+    char *inchi_filename = make_arg("test_ichimain");
+
+    std::vector<char*> argv_vec;
+    argv_vec.push_back(inchi_filename);
+    for (const auto &p : dist_paths) {
+        argv_vec.push_back(make_arg(p.c_str()));
+    }
+    argv_vec.push_back(make_arg("-AMI"));
+    char** argv = argv_vec.data();
+
+    //int ProcessMultipleInputFiles(int argc, char* argv[])
+
+    int ret = ProcessMultipleInputFiles(argc, argv);
+
+    ASSERT_EQ(ret, 0);
+
+    for (int i = 0; i < expected_inchis.size(); i++) {
+        std::string out_txt = dist_paths[i] + ".txt";
+        char *inchi = read_inchi_from_file(out_txt.c_str());
+        ASSERT_STREQ(inchi, expected_inchis[i].c_str());
+        free(inchi);
+    }
+
+    for (auto p : dist_paths) {
+
+        std::string out_txt = p + ".txt";
+        std::string out_log = p + ".log";
+        std::string out_prb = p + ".prb";
+
+        remove(p.c_str());
+        remove(out_txt.c_str());
+        remove(out_log.c_str());
+        remove(out_prb.c_str());
+    }
+    rmdir(tmpd);
+
+    for (auto p : argv_vec) {
+        free(p);
+    }
+}
+
+TEST(test_ichimain, test_ProcessSingleInputFile_caffeine)
+{
+
+    const char *filename_caffeine = "caffeine.mol";
+
+    const char *path_fixtures = "../../../../../INCHI-1-TEST/tests/test_unit/fixtures";
+    char tmpl[] = "../../../../../INCHI-1-TEST/tests/test_unit/fixtures/inchi_mol_test_XXXXXX";
+    char *tmpd = mkdtemp(tmpl);
+    ASSERT_NE(tmpd, nullptr);
+
+    std::string src_path = std::string(path_fixtures) + "/" + filename_caffeine;
+    std::string dst_path = std::string(tmpd) + "/" + filename_caffeine;
+    std::ifstream src(src_path, std::ios::binary);
+    ASSERT_TRUE(src.is_open());
+    std::ofstream dst(dst_path, std::ios::binary);
+    ASSERT_TRUE(dst.is_open());
+    dst << src.rdbuf();
+    src.close();
+    dst.close();
+
+    int argc = 2;
+    char *inchi_filename = make_arg("test_ichimain");
+    char *input_file = make_arg(dst_path.c_str());
+    char* argv[] = { inchi_filename, input_file };
+
+    // int ProcessSingleInputFile(int argc, char* argv[])
+
+    int result = ProcessSingleInputFile(argc, argv);
+
+    EXPECT_EQ(result, 0);
+
+    std::string out_txt = dst_path + ".txt";
+    std::string out_log = dst_path + ".log";
+    std::string out_prb = dst_path + ".prb";
+
+    struct stat st;
+    ASSERT_EQ(stat(out_txt.c_str(), &st), 0);
+    EXPECT_GT(st.st_size, 0);
+    ASSERT_EQ(stat(out_log.c_str(), &st), 0);
+    EXPECT_GT(st.st_size, 0);
+    ASSERT_EQ(stat(out_prb.c_str(), &st), 0);
+    EXPECT_EQ(st.st_size, 0);
+
+    char *found_inchi = read_inchi_from_file(out_txt.c_str());
+    std::string expected_inchi = "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3";
+
+    ASSERT_NE(found_inchi, nullptr);
+    EXPECT_EQ(found_inchi, expected_inchi);
+
+    // cleanup
+    free(inchi_filename);
+    free(input_file);
+    free(found_inchi);
+    remove(out_txt.c_str());
+    remove(out_log.c_str());
+    remove(out_prb.c_str());
+    remove(dst_path.c_str());
+    rmdir(tmpd);
+}
+
+TEST(test_ichimain, test_ProcessSingleInputFile_2mols_sdf)
+{
+
+    const char *filename_2mols = "test_mols_2.sdf";
+
+    const char *path_fixtures = "../../../../../INCHI-1-TEST/tests/test_unit/fixtures";
+    char tmpl[] = "../../../../../INCHI-1-TEST/tests/test_unit/fixtures/inchi_mol_test_XXXXXX";
+    char *tmpd = mkdtemp(tmpl);
+    ASSERT_NE(tmpd, nullptr);
+
+    std::string src_path = std::string(path_fixtures) + "/" + filename_2mols;
+    std::string dst_path = std::string(tmpd) + "/" + filename_2mols;
+    std::ifstream src(src_path, std::ios::binary);
+    ASSERT_TRUE(src.is_open());
+    std::ofstream dst(dst_path, std::ios::binary);
+    ASSERT_TRUE(dst.is_open());
+    dst << src.rdbuf();
+    src.close();
+    dst.close();
+
+    int argc = 2;
+    char *inchi_filename = make_arg("test_ichimain");
+    char *input_file = make_arg(dst_path.c_str());
+    char* argv[] = { inchi_filename, input_file };
+
+    // int ProcessSingleInputFile(int argc, char* argv[])
+    int result = ProcessSingleInputFile(argc, argv);
+
+    EXPECT_EQ(result, 0);
+
+    std::string out_txt = dst_path + ".txt";
+    std::string out_log = dst_path + ".log";
+    std::string out_prb = dst_path + ".prb";
+
+    struct stat st;
+    ASSERT_EQ(stat(out_txt.c_str(), &st), 0);
+    EXPECT_GT(st.st_size, 0);
+    ASSERT_EQ(stat(out_log.c_str(), &st), 0);
+    EXPECT_GT(st.st_size, 0);
+    ASSERT_EQ(stat(out_prb.c_str(), &st), 0);
+    EXPECT_EQ(st.st_size, 0);
+
+    std::ifstream txt_in(out_txt);
+    ASSERT_TRUE(txt_in.is_open());
+    std::string line;
+    std::vector<std::string> found_inchis;
+    while (std::getline(txt_in, line)) {
+        size_t start = line.find_first_not_of(" \t\r\n");
+        if (start == std::string::npos) continue;
+        size_t end = line.find_last_not_of(" \t\r\n");
+        std::string trimmed = line.substr(start, end - start + 1);
+        if (trimmed.rfind("InChI=", 0) == 0) {
+            found_inchis.push_back(trimmed);
+        }
+    }
+    txt_in.close();
+
+    std::vector<std::string> expected_inchis = {
+        "InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42?,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",
+        "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3"
+    };
+
+    ASSERT_EQ(found_inchis.size(), expected_inchis.size());
+    for (size_t i = 0; i < expected_inchis.size(); ++i) {
+        EXPECT_EQ(found_inchis[i], expected_inchis[i]);
+    }
+
+    // cleanup
+    free(inchi_filename);
+    free(input_file);
+    remove(out_txt.c_str());
+    remove(out_log.c_str());
+    remove(out_prb.c_str());
+    remove(dst_path.c_str());
+    rmdir(tmpd);
+}
+
+TEST(test_ichimain, test_GetTheNextRecordOfInputFile)
 {
 
     INCHI_IOSTREAM input_stream;
@@ -86,41 +594,75 @@ TEST(ichimain_testing, test_GetTheNextRecordOfInputFile)
     //                              long *num_err,
     //                              int output_error_inchi );
 
-    tagINCHI_CLOCK *ic;
-    STRUCT_DATA *sd;
-    INPUT_PARMS *ip;
+    INCHI_CLOCK ic = {};
+    memset(&ic, 0, sizeof(ic));
+
+    STRUCT_DATA *sd = new STRUCT_DATA;
+    INPUT_PARMS *ip = new INPUT_PARMS;
+
     char *szTitle;
-    INCHI_IOSTREAM *inp_file;
-    INCHI_IOSTREAM *plog;
-    INCHI_IOSTREAM *pout;
-    INCHI_IOSTREAM *pprb;
+    // INCHI_IOSTREAM *inp_file;
+    INCHI_IOSTREAM *plog = new INCHI_IOSTREAM;
+    INCHI_IOSTREAM *pout = new INCHI_IOSTREAM;
+    INCHI_IOSTREAM *pprb = new INCHI_IOSTREAM;
     ORIG_ATOM_DATA orig_at_data = {};
-    long *num_inp;
-    STRUCT_FPTRS *pStructPtrs;
-    int *nRet;
-    int *have_err_in_GetOneStructure;
+    long *num_inp = new long(0);
+
+    STRUCT_FPTRS *pStructPtrs = nullptr;
+
+    int nRet = 0;
+    int have_err_in_GetOneStructure = 0;
     long *num_err;
     int output_error_inchi;
 
-    // int ret = GetTheNextRecordOfInputFile(
-    //     ic,
-    //     sd,
-    //     ip,
-    //     szTitle,
-    //     &input_stream,
-    //     plog,
-    //     pout,
-    //     pprb,
-    //     &orig_at_data,
-    //     num_inp,
-    //     pStructPtrs,
-    //     nRet,
-    //     have_err_in_GetOneStructure,
-    //     num_err,
-    //     output_error_inchi);
-
-    // EXPECT_EQ(ret, 18);
+    memset(ip, 0, sizeof(*ip));
+    ip->last_struct_number = 1;
+    ip->nInputType = INPUT_MOLFILE;
+
+    inchi_ios_init(pout, INCHI_IOS_TYPE_STRING, nullptr);
+    inchi_ios_init(plog, INCHI_IOS_TYPE_STRING, stdout);
+    inchi_ios_init(pprb, INCHI_IOS_TYPE_STRING, nullptr);
+
+    inchi_ios_flush2(plog, stderr);
+
+    int ret = GetTheNextRecordOfInputFile(
+        &ic,
+        sd,
+        ip,
+        szTitle,
+        &input_stream,
+        plog,
+        pout,
+        pprb,
+        &orig_at_data,
+        num_inp,
+        pStructPtrs,
+        &nRet,
+        &have_err_in_GetOneStructure,
+        num_err,
+        output_error_inchi);
+
+    EXPECT_EQ(ret, DO_NEXT_STEP);
+
+    EXPECT_EQ(orig_at_data.num_inp_atoms, 18);
+    EXPECT_EQ(orig_at_data.num_inp_bonds, 17);
 
     inchi_ios_free_str(&input_stream);
     FreeOrigAtData(&orig_at_data);
+
+    for (int i = 0; i < MAX_NUM_PATHS; i++)
+    {
+        if (ip->path[i])
+        {
+            inchi_free((void*)ip->path[i]); /*  cast deliberately discards 'const' qualifier */
+            ip->path[i] = NULL;
+        }
+    }
+    delete ip;
+    delete sd;
+
+    delete plog;
+    delete pout;
+    delete pprb;
+    delete num_inp;
 }
diff --git a/INCHI-1-TEST/tests/test_unit/test_inchi_dll_b.cpp b/INCHI-1-TEST/tests/test_unit/test_inchi_dll_b.cpp
index a0fff86c..2f2ce08f 100644
--- a/INCHI-1-TEST/tests/test_unit/test_inchi_dll_b.cpp
+++ b/INCHI-1-TEST/tests/test_unit/test_inchi_dll_b.cpp
@@ -5,7 +5,7 @@ extern "C"
 #include "../../../INCHI-1-SRC/INCHI_BASE/src/inchi_api.h"
 }
 
-TEST(inchi_dll_b_testing, test_MakeINCHIFromMolfileText)
+TEST(test_inchi_dll_b, test_MakeINCHIFromMolfileText)
 {
     const char *ferrocene =
         "Ferrocene\n"
@@ -53,4 +53,6 @@ TEST(inchi_dll_b_testing, test_MakeINCHIFromMolfileText)
 
     ASSERT_EQ(MakeINCHIFromMolfileText(ferrocene, options, poutput), 1);
     ASSERT_STREQ(poutput->szInChI, expected_inchi);
+
+    FreeINCHI(poutput);
 }
diff --git a/INCHI-1-TEST/tests/test_unit/test_inpdef.cpp b/INCHI-1-TEST/tests/test_unit/test_inpdef.cpp
index 16fd138b..986b6c6d 100644
--- a/INCHI-1-TEST/tests/test_unit/test_inpdef.cpp
+++ b/INCHI-1-TEST/tests/test_unit/test_inpdef.cpp
@@ -7,7 +7,7 @@ extern "C"
 #include "../../../INCHI-1-SRC/INCHI_BASE/src/inpdef.h"
 }
 
-TEST(inpdef_testing, test_CreateOrigInpDataFromMolfile_v3000_sgroup)
+TEST(test_inpdef, test_CreateOrigInpDataFromMolfile_v3000_sgroup)
 {
 
     INCHI_IOSTREAM input_stream;
@@ -147,13 +147,13 @@ TEST(inpdef_testing, test_CreateOrigInpDataFromMolfile_v3000_sgroup)
 
     EXPECT_EQ(orig_at_data.v3000->n_sterel, 2);
 
-    // STEREL1 ATOMS=(2 12 13)
+    // STEREL1 ATOMS=(2 12 13) or1
     EXPECT_EQ(orig_at_data.v3000->lists_sterel[0][0], 1);  // n from "STERELn" tag
     EXPECT_EQ(orig_at_data.v3000->lists_sterel[0][1], 2);  // number of members in collection
     EXPECT_EQ(orig_at_data.v3000->lists_sterel[0][2], 12); // member atom numbers
     EXPECT_EQ(orig_at_data.v3000->lists_sterel[0][3], 13); // member atom numbers
 
-    // STEREL2 ATOMS=(1 14)
+    // STEREL2 ATOMS=(1 14) or2
     EXPECT_EQ(orig_at_data.v3000->lists_sterel[1][0], 2);  // n from "STERELn" tag
     EXPECT_EQ(orig_at_data.v3000->lists_sterel[1][1], 1);  // number of members in collection
     EXPECT_EQ(orig_at_data.v3000->lists_sterel[1][2], 14); // member atom numbers
diff --git a/INCHI-1-TEST/tests/test_unit/test_mol_fmt.cpp b/INCHI-1-TEST/tests/test_unit/test_mol_fmt.cpp
index d663e83e..23003716 100644
--- a/INCHI-1-TEST/tests/test_unit/test_mol_fmt.cpp
+++ b/INCHI-1-TEST/tests/test_unit/test_mol_fmt.cpp
@@ -7,7 +7,7 @@ extern "C"
 #include "../../../INCHI-1-SRC/INCHI_BASE/src/ichi_io.h"
 }
 
-TEST(mol_fmt_testing, test_MolfileStrnread)
+TEST(test_mol_fmt, test_MolfileStrnread)
 {
     int string_len = 100;
     char dest[string_len];
@@ -26,7 +26,7 @@ TEST(mol_fmt_testing, test_MolfileStrnread)
     EXPECT_EQ(first_space[0], ' '); // space terminator
 }
 
-TEST(mol_fmt_testing, test_MolfileReadField)
+TEST(test_mol_fmt, test_MolfileReadField)
 {
     // int MolfileReadField(void *data, int field_len, int data_type,  char **line_ptr)
 
@@ -108,7 +108,7 @@ TEST(mol_fmt_testing, test_MolfileReadField)
     EXPECT_EQ(line_ptr8, source_data8 + 4);
 }
 
-TEST(mol_fmt_testing, test_MolfileV3000ReadField)
+TEST(test_mol_fmt, test_MolfileV3000ReadField)
 {
 
     // int MolfileV3000ReadField(void *data,
@@ -126,7 +126,7 @@ TEST(mol_fmt_testing, test_MolfileV3000ReadField)
     EXPECT_EQ(n_coll, 2);
 }
 
-TEST(mol_fmt_testing, test_MolfileExtractStrucNum)
+TEST(test_mol_fmt, test_MolfileExtractStrucNum)
 {
     // long MolfileExtractStrucNum(MOL_FMT_HEADER_BLOCK *pHdr);
 
@@ -181,7 +181,7 @@ TEST(mol_fmt_testing, test_MolfileExtractStrucNum)
     EXPECT_EQ(num, 0);
 }
 
-TEST(mol_fmt_testing, test_MolfileV3000ReadStereoCollection)
+TEST(test_mol_fmt, test_MolfileV3000ReadStereoCollection)
 {
 
     // int MolfileV3000ReadStereoCollection(MOL_FMT_CTAB *ctab,
@@ -228,7 +228,7 @@ TEST(mol_fmt_testing, test_MolfileV3000ReadStereoCollection)
     inchi_free(num_list);
 }
 
-TEST(mol_fmt_testing, test_MolfileV3000ReadCollections)
+TEST(test_mol_fmt, test_MolfileV3000ReadCollections)
 {
 
     INCHI_IOSTREAM input_stream;
@@ -316,7 +316,7 @@ TEST(mol_fmt_testing, test_MolfileV3000ReadCollections)
     inchi_ios_free_str(&input_stream);
 }
 
-TEST(mol_fmt_testing, test_MolfileHasNoChemStruc)
+TEST(test_mol_fmt, test_MolfileHasNoChemStruc)
 {
     MOL_FMT_DATA mfdata;
     MOL_FMT_CTAB ctab;
@@ -360,7 +360,7 @@ TEST(mol_fmt_testing, test_MolfileHasNoChemStruc)
     free(atoms);
 }
 
-TEST(mol_fmt_testing, test_FreeMolfileData)
+TEST(test_mol_fmt, test_FreeMolfileData)
 {
 
     MOL_FMT_DATA *mfdata;
@@ -407,7 +407,7 @@ TEST(mol_fmt_testing, test_FreeMolfileData)
     inchi_free(sgroups);
 }
 
-TEST(mol_fmt_testing, test_ReadMolfile_v2000)
+TEST(test_mol_fmt, test_ReadMolfile_v2000)
 {
 
     INCHI_IOSTREAM input_stream;
@@ -528,7 +528,7 @@ TEST(mol_fmt_testing, test_ReadMolfile_v2000)
     FreeMolfileData(result);
 }
 
-TEST(mol_fmt_testing, test_ReadMolfile_v3000)
+TEST(test_mol_fmt, test_ReadMolfile_v3000)
 {
 
     INCHI_IOSTREAM input_stream;
@@ -655,7 +655,7 @@ TEST(mol_fmt_testing, test_ReadMolfile_v3000)
     FreeMolfileData(result);
 }
 
-TEST(mol_fmt_testing, test_ReadMolfile_v3000_collection_1)
+TEST(test_mol_fmt, test_ReadMolfile_v3000_collection_1)
 {
 
     INCHI_IOSTREAM input_stream;
@@ -765,7 +765,7 @@ TEST(mol_fmt_testing, test_ReadMolfile_v3000_collection_1)
     FreeMolfileData(result);
 }
 
-TEST(mol_fmt_testing, test_ReadMolfile_v3000_collection_2)
+TEST(test_mol_fmt, test_ReadMolfile_v3000_collection_2)
 {
 
     INCHI_IOSTREAM input_stream;
diff --git a/INCHI-1-TEST/tests/test_unit/test_permutation_util.cpp b/INCHI-1-TEST/tests/test_unit/test_permutation_util.cpp
index 174bf847..75da2565 100644
--- a/INCHI-1-TEST/tests/test_unit/test_permutation_util.cpp
+++ b/INCHI-1-TEST/tests/test_unit/test_permutation_util.cpp
@@ -8,7 +8,7 @@ extern "C"
 #include "../../../INCHI-1-SRC/INCHI_BASE/src/permutation_util.h"
 }
 
-TEST(permutation_util_testing, test_OrigAtData_Permute)
+TEST(test_permutation_util, test_OrigAtData_Permute)
 {
 
     // 1. Populate atom data
@@ -107,4 +107,11 @@ TEST(permutation_util_testing, test_OrigAtData_Permute)
 
     EXPECT_STREQ(molblock, output_file->s.pStr);
     EXPECT_STRNE(output_file->s.pStr, permuted_output_file->s.pStr);
+
+    inchi_ios_free_str(&input_stream);
+    inchi_ios_free_str(&output_stream);
+    inchi_ios_free_str(&permuted_output_stream);
+
+    FreeOrigAtData(&atom_data);
+    FreeOrigAtData(&permuted_atom_data);
 }
diff --git a/INCHI-1-TEST/tests/test_unit/test_strutil.cpp b/INCHI-1-TEST/tests/test_unit/test_strutil.cpp
index d154fa4b..f09afffe 100644
--- a/INCHI-1-TEST/tests/test_unit/test_strutil.cpp
+++ b/INCHI-1-TEST/tests/test_unit/test_strutil.cpp
@@ -5,7 +5,7 @@ extern "C"
 #include "../../../INCHI-1-SRC/INCHI_BASE/src/strutil.h"
 }
 
-TEST(strutil_testing, test_ExtractConnectedComponent)
+TEST(test_strutil, test_ExtractConnectedComponent)
 {
 
     int num_atoms = 3;
@@ -27,7 +27,7 @@ TEST(strutil_testing, test_ExtractConnectedComponent)
     FreeInpAtom(&cmp_mol);
 }
 
-TEST(strutil_testing, test_SetConnectedComponentNumber)
+TEST(test_strutil, test_SetConnectedComponentNumber)
 {
 
     int num_atoms = 1;
@@ -44,7 +44,7 @@ TEST(strutil_testing, test_SetConnectedComponentNumber)
     FreeInpAtom(&new_mol);
 }
 
-TEST(strutil_testing, test_UnMarkRingSystemsInp)
+TEST(test_strutil, test_UnMarkRingSystemsInp)
 {
 
     int num_atoms = 5;
@@ -65,7 +65,7 @@ TEST(strutil_testing, test_UnMarkRingSystemsInp)
     FreeInpAtom(&new_mol);
 }
 
-TEST(strutil_testing, test_CreateAndFreeInpAtom)
+TEST(test_strutil, test_CreateAndFreeInpAtom)
 {
 
     int num_atoms = 10;
@@ -96,7 +96,7 @@ TEST(strutil_testing, test_CreateAndFreeInpAtom)
     EXPECT_EQ(new_mol2, nullptr);
 }
 
-TEST(strutil_testing, test_CreateAndFreeInpAtomData)
+TEST(test_strutil, test_CreateAndFreeInpAtomData)
 {
 
     int num_atoms = 10;
diff --git a/INCHI-1-TEST/tests/test_unit/test_util.cpp b/INCHI-1-TEST/tests/test_unit/test_util.cpp
index fa9e88a8..037caa99 100644
--- a/INCHI-1-TEST/tests/test_unit/test_util.cpp
+++ b/INCHI-1-TEST/tests/test_unit/test_util.cpp
@@ -5,7 +5,7 @@ extern "C"
 #include "../../../INCHI-1-SRC/INCHI_BASE/src/util.h"
 }
 
-TEST(util_testing, test_get_chemical_symbols)
+TEST(test_util, test_get_chemical_symbols)
 {
 
     char szElement[4];
@@ -30,7 +30,7 @@ TEST(util_testing, test_get_chemical_symbols)
     EXPECT_STREQ(szElement, "??");
 }
 
-TEST(util_testing, test_get_element_or_pseudoelement_symbol)
+TEST(test_util, test_get_element_or_pseudoelement_symbol)
 {
 
     char szElement[4];
@@ -53,7 +53,7 @@ TEST(util_testing, test_get_element_or_pseudoelement_symbol)
     EXPECT_STREQ(szElement, "??");
 }
 
-TEST(util_testing, test_get_periodic_table_number)
+TEST(test_util, test_get_periodic_table_number)
 {
 
     char szElement[4];
@@ -69,7 +69,7 @@ TEST(util_testing, test_get_periodic_table_number)
     EXPECT_EQ(get_periodic_table_number("Zz"), 120);
 }
 
-TEST(util_testing, test_if_skip_add_H)
+TEST(test_util, test_if_skip_add_H)
 {
 
     EXPECT_EQ(if_skip_add_H(-1), 0);
@@ -80,7 +80,7 @@ TEST(util_testing, test_if_skip_add_H)
     // EXPECT_EQ(if_skip_add_H(300), 0); --> SEG FAULT
 }
 
-TEST(util_testing, test_get_el_valence)
+TEST(test_util, test_get_el_valence)
 {
     // nPeriodicNum, charge, val_num
     EXPECT_EQ(get_el_valence(0, -3, 0), 0);
@@ -98,7 +98,7 @@ TEST(util_testing, test_get_el_valence)
     EXPECT_EQ(get_el_valence(82, -2, 2), 6);
 }
 
-TEST(util_testing, test_get_atomic_mass)
+TEST(test_util, test_get_atomic_mass)
 {
     EXPECT_EQ(get_atomic_mass(""), 0);
     EXPECT_EQ(get_atomic_mass(" "), 0);
@@ -119,7 +119,7 @@ TEST(util_testing, test_get_atomic_mass)
     EXPECT_EQ(get_atomic_mass("Pb"), 207);
 }
 
-TEST(util_testing, test_get_atomic_mass_from_elnum)
+TEST(test_util, test_get_atomic_mass_from_elnum)
 {
     EXPECT_EQ(get_atomic_mass_from_elnum(-1), 0);
     EXPECT_EQ(get_atomic_mass_from_elnum(0), 0);
@@ -140,7 +140,7 @@ TEST(util_testing, test_get_atomic_mass_from_elnum)
     EXPECT_EQ(get_atomic_mass_from_elnum(23423423), 0);
 }
 
-TEST(util_testing, test_get_el_type)
+TEST(test_util, test_get_el_type)
 {
     EXPECT_EQ(get_el_type(-1), 0);
     EXPECT_EQ(get_el_type(0), 0);
@@ -163,7 +163,7 @@ TEST(util_testing, test_get_el_type)
     // EXPECT_EQ(get_el_type(23423423), 0); --> seg fault
 }
 
-TEST(util_testing, test_is_el_a_metal)
+TEST(test_util, test_is_el_a_metal)
 {
     EXPECT_EQ(is_el_a_metal(-1), false);
     EXPECT_EQ(is_el_a_metal(0), false);
@@ -187,7 +187,7 @@ TEST(util_testing, test_is_el_a_metal)
 // ---------------------------
 
 // lrtrim
-TEST(util_testing, test_lrtrim)
+TEST(test_util, test_lrtrim)
 {
 
     char test_string1[7] = " InChI";
@@ -209,7 +209,7 @@ TEST(util_testing, test_lrtrim)
 // ---------------------------
 
 // extract_H_atoms( char *elname, S_CHAR num_iso_H[] )
-TEST(util_testing, test_extract_H_atoms)
+TEST(test_util, test_extract_H_atoms)
 {
     S_CHAR num_iso_H[NUM_H_ISOTOPES] = {0};
 
@@ -247,7 +247,7 @@ TEST(util_testing, test_extract_H_atoms)
     EXPECT_EQ(extract_H_atoms(elname, num_iso_H), 0);
 }
 
-TEST(util_testing, test_get_num_H)
+TEST(test_util, test_get_num_H)
 {
     // const char *elname, int inp_num_H, S_CHAR *num_iso_H, int charge, int radical,
     // int chem_bonds_valence, int atom_input_valence, int bAliased, int bDoNotAddH, int bHasMetalNeighbor
@@ -257,7 +257,7 @@ TEST(util_testing, test_get_num_H)
     EXPECT_EQ(get_num_H("C", 0, num_iso_H, 0, 0, 0, 0, 0, 0, 0), 4);
 }
 
-TEST(util_testing, test_get_unusual_el_valence)
+TEST(test_util, test_get_unusual_el_valence)
 {
     EXPECT_EQ(get_unusual_el_valence(0, 0, 0, 0, 0, 0), 0);
     EXPECT_EQ(get_unusual_el_valence(6, 0, 0, 4, 0, 0), 0);
@@ -267,7 +267,7 @@ TEST(util_testing, test_get_unusual_el_valence)
     EXPECT_EQ(get_unusual_el_valence(82, -2, 2, 6, 3, 3), 9);
 }
 
-TEST(util_testing, test_detect_unusual_el_valence)
+TEST(test_util, test_detect_unusual_el_valence)
 {
     // nPeriodicNum, charge, radical, bonds_valence, num_H, num_bonds
     EXPECT_EQ(detect_unusual_el_valence(0, 0, 0, 0, 0, 0), 0);
@@ -278,7 +278,7 @@ TEST(util_testing, test_detect_unusual_el_valence)
     EXPECT_EQ(detect_unusual_el_valence(82, -2, 2, 6, 3, 3), 9);
 }
 
-TEST(util_testing, test_normalize_string)
+TEST(test_util, test_normalize_string)
 {
     char test_string1[7] = " InChI";
     EXPECT_EQ(normalize_string(test_string1), 5);
@@ -297,7 +297,7 @@ TEST(util_testing, test_normalize_string)
     EXPECT_STREQ(test_string4, "sdfds sfsfd ew");
 }
 
-TEST(util_testing, test_read_upto_delim)
+TEST(test_util, test_read_upto_delim)
 {
     // read_upto_delim(char **pstring, char *field, int maxlen, char *delims)
 
@@ -349,7 +349,7 @@ TEST(util_testing, test_read_upto_delim)
     EXPECT_STREQ(test_string6_inp, "field1,field2,field3");
 }
 
-TEST(util_testing, test_is_matching_any_delim)
+TEST(test_util, test_is_matching_any_delim)
 {
     char delims1[] = "abc";
 
@@ -366,7 +366,7 @@ TEST(util_testing, test_is_matching_any_delim)
     EXPECT_FALSE(is_matching_any_delim('a', delims2));
 }
 
-TEST(util_testing, test_dotify_non_printable_chars)
+TEST(test_util, test_dotify_non_printable_chars)
 {
     // dotify_non_printable_chars(char *line)
     char test_string1[] = "Hello\x01World";
@@ -382,7 +382,7 @@ TEST(util_testing, test_dotify_non_printable_chars)
     EXPECT_STREQ(test_string3, "NoChange");
 }
 
-TEST(util_testing, test_remove_trailing_spaces)
+TEST(test_util, test_remove_trailing_spaces)
 {
     // remove_trailing_spaces(char *p)
     char test_string1[] = "Hello World   ";
@@ -394,7 +394,7 @@ TEST(util_testing, test_remove_trailing_spaces)
     EXPECT_STREQ(test_string3, "NoTrailingSpaces");
 }
 
-TEST(util_testing, test_remove_one_lf)
+TEST(test_util, test_remove_one_lf)
 {
     // remove_one_lf(char *p)
     char test_string1[] = "Hello World\n";
@@ -422,7 +422,7 @@ TEST(util_testing, test_remove_one_lf)
     EXPECT_STREQ(test_string6, "");
 }
 
-TEST(util_testing, test_mystrncpy)
+TEST(test_util, test_mystrncpy)
 {
     // mystrncpy(char *target, const char *source, unsigned maxlen)
     char target[20];
@@ -440,7 +440,7 @@ TEST(util_testing, test_mystrncpy)
     EXPECT_EQ(mystrncpy(NULL, source, 10), 0); // target is NULL
 }
 
-TEST(util_testing, test_inchi_memicmp)
+TEST(test_util, test_inchi_memicmp)
 {
 
     // inchi_memicmp(const void *p1, const void *p2, size_t length)
@@ -471,7 +471,7 @@ TEST(util_testing, test_inchi_memicmp)
     EXPECT_TRUE(inchi_memicmp(str9, str10, 20) > 0);
 }
 
-TEST(util_testing, test_inchi_stricmp)
+TEST(test_util, test_inchi_stricmp)
 {
 
     // inchi_stricmp(const char *s1, const char *s2)
@@ -485,7 +485,7 @@ TEST(util_testing, test_inchi_stricmp)
     EXPECT_TRUE(inchi_stricmp("123", "12455454") < 0);
 }
 
-TEST(util_testing, test_inchi_strnset)
+TEST(test_util, test_inchi_strnset)
 {
 
     // char *inchi__strnset(char *s, int val, size_t length)
@@ -499,7 +499,7 @@ TEST(util_testing, test_inchi_strnset)
     EXPECT_STREQ(inchi__strnset(test_string3, 'Z', 0), "NoChange");
 }
 
-TEST(util_testing, test_inchi_strdup)
+TEST(test_util, test_inchi_strdup)
 {
 
     // char *inchi__strdup(const char *string)
@@ -512,7 +512,7 @@ TEST(util_testing, test_inchi_strdup)
     free(dup2);
 }
 
-TEST(util_testing, test_inchi_strtol)
+TEST(test_util, test_inchi_strtol)
 {
 
     // long inchi_strtol(const char *str, const char **p, int base)
@@ -525,7 +525,7 @@ TEST(util_testing, test_inchi_strtol)
     EXPECT_EQ(result2, 0);
 }
 
-TEST(util_testing, test_inchi_strtod)
+TEST(test_util, test_inchi_strtod)
 {
 
     // double inchi_strtod(const char *str, const char **p)
@@ -539,7 +539,7 @@ TEST(util_testing, test_inchi_strtod)
     EXPECT_EQ(*endptr, 'a');
 }
 
-TEST(util_testing, test_is_in_the_list)
+TEST(test_util, test_is_in_the_list)
 {
 
     // AT_NUMB *is_in_the_list(AT_NUMB *pathAtom, AT_NUMB nNextAtom, int nPathLen)
@@ -559,7 +559,7 @@ TEST(util_testing, test_is_in_the_list)
     EXPECT_FALSE(is_in_the_list(pathAtom3, nNextAtom3, nPathLen3));
 }
 
-TEST(util_testing, test_is_in_the_ilist)
+TEST(test_util, test_is_in_the_ilist)
 {
 
     // int *is_in_the_ilist(int *pathAtom, int nNextAtom, int nPathLen)
@@ -580,7 +580,7 @@ TEST(util_testing, test_is_in_the_ilist)
     EXPECT_FALSE(is_in_the_ilist(pathAtom3, nNextAtom3, nPathLen3));
 }
 
-TEST(util_testing, test_is_ilist_inside)
+TEST(test_util, test_is_ilist_inside)
 {
 
     // int is_ilist_inside(int *ilist, int nlist, int *ilist2, int nlist2)
@@ -599,7 +599,7 @@ TEST(util_testing, test_is_ilist_inside)
     EXPECT_TRUE(is_ilist_inside(pathAtom4, 0, pathAtom5, 0));
 }
 
-TEST(util_testing, test_nBondsValToMetal)
+TEST(test_util, test_nBondsValToMetal)
 {
 
     // int nBondsValToMetal(inp_ATOM *at, int iat)
@@ -656,7 +656,7 @@ TEST(util_testing, test_nBondsValToMetal)
     FreeInpAtom(&atoms2);
 }
 
-TEST(util_testing, test_num_of_H)
+TEST(test_util, test_num_of_H)
 {
 
     // int num_of_H(inp_ATOM *at, int iat)
@@ -734,7 +734,7 @@ TEST(util_testing, test_num_of_H)
     FreeInpAtom(&atoms2);
 }
 
-TEST(util_testing, test_ion_el_group)
+TEST(test_util, test_ion_el_group)
 {
 
     // U_CHAR ion_el_group(int el)
@@ -744,7 +744,7 @@ TEST(util_testing, test_ion_el_group)
     EXPECT_EQ(ion_el_group(get_periodic_table_number("Mn")), 0);
 }
 
-TEST(util_testing, test_has_other_ion_neigh)
+TEST(test_util, test_has_other_ion_neigh)
 {
 
     // int has_other_ion_neigh(inp_ATOM *at, int iat, int iat_ion_neigh)
@@ -765,7 +765,7 @@ TEST(util_testing, test_has_other_ion_neigh)
     FreeInpAtom(&atoms1);
 }
 
-TEST(util_testing, test_extract_charges_and_radicals)
+TEST(test_util, test_extract_charges_and_radicals)
 {
 
     // int extract_charges_and_radicals(char *elname, int *pnRadical, int *pnCharge)
@@ -849,7 +849,7 @@ TEST(util_testing, test_extract_charges_and_radicals)
     EXPECT_EQ(nCharge, 0);
 }
 
-TEST(util_testing, test_extract_inchi_substring)
+TEST(test_util, test_extract_inchi_substring)
 {
 
     // void extract_inchi_substring(char **buf, const char *str, size_t slen)
@@ -882,7 +882,7 @@ TEST(util_testing, test_extract_inchi_substring)
     free(buf2);
 }
 
-TEST(util_testing, test_extract_auxinfo_substring)
+TEST(test_util, test_extract_auxinfo_substring)
 {
     // void extract_auxinfo_substring(char **buf, const char *str, size_t slen)
 
@@ -928,7 +928,7 @@ TEST(util_testing, test_extract_auxinfo_substring)
     free(buf4);
 }
 
-TEST(util_testing, test_extract_stereo_info_from_inchi_string)
+TEST(test_util, test_extract_stereo_info_from_inchi_string)
 {
     // int extract_stereo_info_from_inchi_string(char *sinchi, int nat, int *orig, int *at_stereo_mark);
 
@@ -979,7 +979,7 @@ TEST(util_testing, test_extract_stereo_info_from_inchi_string)
     EXPECT_EQ(found_stereo2, 0);
 }
 
-// TEST(util_testing, test_extract_all_backbone_bonds_from_inchi_string)
+// TEST(test_util, test_extract_all_backbone_bonds_from_inchi_string)
 // {
 
 //     // int extract_all_backbone_bonds_from_inchi_string(char *sinchi, int *n_all_bkb_orig, int *orig, int *all_bkb_orig);