0	-9190.890226	-5.578250	3.928241	3.295249	30	  318.00	  328.00	  13370000	  30730000	1	1,10-decanediol	ALL
0	-5444.926864	2.594901	1.128950	21.423473	25	  311.00	  328.00	   1320000	   8360000	2	1,2-propanediol	ALL
0	-4872.155052	-15.685089	3.801823	7.001283	18	  318.15	  343.25	  10080000	  36400000	3	1,4-naphthoquinone	ALL