Name,Formula,CASN,Family,Parachor,Grp1,Grp2,Grp3,Grp4,Grp5,Grp6,Grp7,Grp8,Grp9,Grp10,Grp11,Grp12,Grp13,Grp14,Grp15,Grp16,Grp17,Grp18,Grp19,Grp20,Grp21,Grp22,Grp23,Grp24,Grp25,Grp26,Grp27,Grp28,Grp29,Grp30,Grp31,Grp32,Grp33,Grp34,Grp35,Grp36,Grp37,Grp38,Grp39,Grp40
n-BUTANE,C4H10,106-97-8,N-ALKANES,196.7649497,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-HEXANE,C6H14,110-54-3,N-ALKANES,273.3694892,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-OCTANE,C8H18,111-65-9,N-ALKANES,351.0412968,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLHEPTANE,C8H18,589-81-1,METHYLALKANES,348.5236683,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-NONANE,C9H20,111-84-2,N-ALKANES,390.2473269,2,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-UNDECANE,C11H24,1120-21-4,N-ALKANES,469.3369594,2,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXANE,C6H12,110-82-7,CYCLOALKANES,234.5910659,0,6,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOPROPYLCYCLOHEXANE,C9H18,696-29-7,ALKYLCYCLOHEXANES,357.9407322,2,5,2,0,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIMETHYLHEPTANE",C9H20,1072-05-5,DIMETHYLALKANES,385.7055843,4,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE,C2H4,74-85-1,1-ALKENES,113.2892365,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
m-XYLENE,C8H10,108-38-3,OTHER ALKYLBENZENES,285.9691634,2,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-PROPYLBENZENE,C9H12,103-65-1,N-ALKYLBENZENES,320.255218,1,2,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-PENTYLBENZENE,C11H16,538-68-1,N-ALKYLBENZENES,402.5293688,1,4,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACENAPHTHENE,C12H10,83-32-9,OTHER CONDENSED RINGS,373.9527956,0,2,0,0,2,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CAMPHENE,C10H16,79-92-5,OTHER HYDROCARBON RINGS,360.8004475,2,3,2,1,3,2,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GLYOXAL,C2H2O2,107-22-2,ALDEHYDES,132.0699226,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,2,0,0,0
5-HEXEN-2-ONE,C6H10O,109-49-9,KETONES,268.2367892,1,2,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL ISOBUTYL ETHER,C6H14O,627-02-1,ALIPHATIC ETHERS,287.8083865,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,2,0,0,0,0,4,0,0,0,1,0,0
MELAMINE,C3H6N6,108-78-1,AROMATIC AMINES,269.7683132,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,6,0,0,0,0,0,0,0,0,0,0,0,0
n-CROTYL ACETATE,C6H10O2,628-08-0,ACETATES,304.8184496,2,0,0,0,0,0,0,0,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,1,0,0,0,0,1,0,0,0
"1,5-PENTANEDIAMINE",C5H14N2,462-94-2,"OTHER AMINES, IMINES",289.1254433,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,2,0,0,0,0,4,0,0,0,0,0,0
TETRAETHOXYSILANE,C8H20O4Si,78-10-4,SILANES/SILOXANES,477.6728594,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,12,0,0,0,4,0,0
METHANE,CH4,74-82-8,N-ALKANES,94.90173353,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHANE,C2H6,74-84-0,N-ALKANES,121.3192129,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPANE,C3H8,74-98-6,N-ALKANES,158.8917459,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOBUTANE,C4H10,75-28-5,METHYLALKANES,189.9865354,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-PENTANE,C5H12,109-66-0,N-ALKANES,234.9279528,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOPENTANE,C5H12,78-78-4,METHYLALKANES,229.2599099,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLPENTANE,C6H14,107-83-5,METHYLALKANES,268.7826761,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIMETHYLBUTANE",C6H14,79-29-8,DIMETHYLALKANES,263.8245083,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-HEPTANE,C7H16,142-82-5,N-ALKANES,312.0779267,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLHEXANE,C7H16,591-76-4,METHYLALKANES,308.5417065,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLHEXANE,C7H16,589-34-4,METHYLALKANES,308.5417065,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-ETHYLPENTANE,C7H16,617-78-7,OTHER ALKANES,308.5417065,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYLPENTANE",C7H16,590-35-2,DIMETHYLALKANES,303.0344419,4,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIMETHYLPENTANE",C7H16,565-59-3,DIMETHYLALKANES,304.2670187,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DIMETHYLPENTANE",C7H16,108-08-7,DIMETHYLALKANES,304.2670187,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIMETHYLPENTANE",C7H16,562-49-2,DIMETHYLALKANES,303.0344419,4,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,3-TRIMETHYLBUTANE",C7H16,464-06-2,OTHER ALKANES,302.0673078,5,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLHEPTANE,C8H18,592-27-8,METHYLALKANES,348.5236683,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-METHYLHEPTANE,C8H18,589-53-7,METHYLALKANES,348.5236683,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-ETHYLHEXANE,C8H18,619-99-8,OTHER ALKANES,348.5236683,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYLHEXANE",C8H18,590-73-8,DIMETHYLALKANES,342.4034705,4,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIMETHYLHEXANE",C8H18,584-94-1,DIMETHYLALKANES,344.8987167,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DIMETHYLHEXANE",C8H18,589-43-5,DIMETHYLALKANES,344.8987167,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIMETHYLHEXANE",C8H18,563-16-6,DIMETHYLALKANES,342.4034705,4,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,4-DIMETHYLHEXANE",C8H18,583-48-2,DIMETHYLALKANES,344.8987167,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-3-ETHYLPENTANE,C8H18,609-26-7,OTHER ALKANES,344.8987167,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-3-ETHYLPENTANE,C8H18,1067-08-9,OTHER ALKANES,342.4034705,4,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,3-TRIMETHYLPENTANE",C8H18,564-02-3,OTHER ALKANES,340.5695955,5,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,4-TRIMETHYLPENTANE",C8H18,540-84-1,OTHER ALKANES,340.5695955,5,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,3-TRIMETHYLPENTANE",C8H18,560-21-4,OTHER ALKANES,340.5695955,5,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,4-TRIMETHYLPENTANE",C8H18,565-75-3,OTHER ALKANES,341.7290035,5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,5-TRIMETHYLHEXANE",C9H20,3522-94-9,OTHER ALKANES,379.1065143,5,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,4-TRIMETHYLHEXANE",C9H20,16747-30-1,OTHER ALKANES,379.1065143,5,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,3,4-TETRAMETHYLPENTANE",C9H20,1186-53-4,OTHER ALKANES,380.2656255,6,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,3,4-TETRAMETHYLPENTANE",C9H20,16747-38-9,OTHER ALKANES,380.2656255,6,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SQUALANE,C30H62,111-01-3,OTHER ALKANES,1221.565166,8,16,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-DECANE,C10H22,124-18-5,N-ALKANES,429.683474,2,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-TRIDECANE,C13H28,629-50-5,N-ALKANES,549.2438676,2,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-TETRADECANE,C14H30,629-59-4,N-ALKANES,589.4708819,2,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-PENTADECANE,C15H32,629-62-9,N-ALKANES,629.8624918,2,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-HEXADECANE,C16H34,544-76-3,N-ALKANES,670.4052917,2,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-HEPTADECANE,C17H36,629-78-7,N-ALKANES,711.0858624,2,15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-OCTADECANE,C18H38,593-45-3,N-ALKANES,751.8908078,2,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-NONADECANE,C19H40,629-92-5,N-ALKANES,792.806791,2,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-EICOSANE,C20H42,112-95-8,N-ALKANES,833.8205683,2,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-HEXACOSANE,C26H54,630-01-3,N-ALKANES,1081.234967,2,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,4,4,6,8,8-HEPTAMETHYLNONANE",C16H34,4/9/4390,OTHER ALKANES,637.4717029,9,3,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLOCTANE_2002Review,C9H20,3221-61-2,METHYLALKANES,388.7150605,3,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLOCTANE,C9H20,2216-33-3,METHYLALKANES,388.7150605,3,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-METHYLOCTANE,C9H20,2216-34-4,METHYLALKANES,388.7150605,3,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-ETHYLHEPTANE,C9H20,15869-80-4,OTHER ALKANES,388.7150605,3,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYLHEPTANE",C9H20,1071-26-7,DIMETHYLALKANES,381.8253081,4,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOBUTANE,C4H8,287-23-0,CYCLOALKANES,180.7078329,0,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENTANE,C5H10,287-92-3,CYCLOALKANES,202.3052125,0,5,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLCYCLOPENTANE,C6H12,96-37-7,ALKYLCYCLOPENTANES,247.1283572,1,4,1,0,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-DIMETHYLCYCLOPENTANE",C7H14,1638-26-2,ALKYLCYCLOPENTANES,275.3426118,2,4,0,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-PROPYLCYCLOPENTANE,C8H16,2040-96-2,ALKYLCYCLOPENTANES,322.8371988,1,6,1,0,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOPROPYLCYCLOPENTANE,C8H16,3875-51-2,ALKYLCYCLOPENTANES,307.4208522,2,4,2,0,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-BUTYLCYCLOPENTANE,C9H18,2040-95-1,ALKYLCYCLOPENTANES,361.166945,1,7,1,0,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLCYCLOHEXANE,C7H14,108-87-2,ALKYLCYCLOHEXANES,283.966365,1,5,1,0,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-DIMETHYLCYCLOHEXANE",C8H16,590-66-9,ALKYLCYCLOHEXANES,323.5641578,2,5,0,1,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-PROPYLCYCLOHEXANE,C9H18,1678-92-8,ALKYLCYCLOHEXANES,361.4423049,1,7,1,0,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BICYCLOHEXYL,C12H22,92-51-3,MULTIRING CYCLOALKANES,449.5707081,0,10,2,0,10,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-DECYLCYCLOHEXANE,C16H32,1795-16-0,ALKYLCYCLOHEXANES,639.0079934,1,14,1,0,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEPTANE,C7H14,291-64-5,CYCLOALKANES,274.2235626,0,7,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOOCTANE,C8H16,292-64-8,CYCLOALKANES,317.0314867,0,8,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYL-3-ETHYLPENTANE",C9H20,16747-32-3,OTHER ALKANES,379.1065143,5,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DIMETHYL-3-ETHYLPENTANE",C9H20,1068-87-7,OTHER ALKANES,382.7720737,5,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOBUTENE,C4H8,115-11-7,METHYLALKENES,178.9617699,2,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-1-BUTENE,C5H10,563-46-2,METHYLALKENES,217.8169657,2,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIMETHYL-1-BUTENE",C6H12,558-37-2,ETHYL & HIGHER ALKENES,258.8478866,3,0,0,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIMETHYL-2-BUTENE",C6H12,563-79-1,ETHYL & HIGHER ALKENES,254.1640183,4,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-DODECENE_2001Review,C12H24,112-41-4,1-ALKENES,496.9892924,1,9,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-PENTADECENE,C15H30,13360-61-7,1-ALKENES,618.1197939,1,12,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-HEXADECENE,C16H32,629-73-2,1-ALKENES,658.8936208,1,13,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-OCTADECENE,C18H36,112-88-9,1-ALKENES,740.9564288,1,15,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENTENE,C5H8,142-29-0,CYCLOALKENES,198.8550933,0,3,0,0,3,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXENE,C6H10,110-83-8,CYCLOALKENES,227.8392588,0,4,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEPTENE,C7H12,628-92-2,CYCLOALKENES,265.2049825,0,5,0,0,5,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-HEPTADECENE,C17H34,6765-39-5,1-ALKENES,699.8436762,1,14,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-NONADECENE,C19H38,18435-45-5,1-ALKENES,782.2182822,1,16,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-METHYLCYCLOPENTENE,C6H10,693-89-0,CYCLOALKENES,232.4493185,1,3,0,0,3,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
d-LIMONENE,C10H16,5989-27-5,TERPENES,367.7486644,2,3,1,0,3,1,0,0,0,1,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-HEXADIENE",C6H10,592-42-7,DIALKENES,250.3444158,0,2,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-CYCLOHEXADIENE",C6H8,592-57-4,DIALKENES,218.667329,0,2,0,0,2,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-CYCLOOCTADIENE",C8H12,111-78-4,DIALKENES,288.549104,0,4,0,0,4,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,9-DECADIENE",C10H18,1647-16-1,DIALKENES,406.0736016,0,6,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETYLENE,C2H2,74-86-2,ALKYNES,87.23078483,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0
METHYLACETYLENE,C3H4,74-99-7,ALKYNES,129.831392,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
1-PENTYNE,C5H8,627-19-0,ALKYNES,206.7638898,1,2,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
1-OCTYNE,C8H14,629-05-0,ALKYNES,325.4560871,1,5,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
1-NONYNE,C9H16,9/3/3452,ALKYNES,365.8718574,1,6,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
1-DECYNE,C10H18,764-93-2,ALKYNES,406.7005383,1,7,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
BENZENE,C6H6,71-43-2,N-ALKYLBENZENES,222.9369861,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TOLUENE,C7H8,108-88-3,N-ALKYLBENZENES,238.639935,1,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLBENZENE,C8H10,100-41-4,N-ALKYLBENZENES,279.3580436,1,1,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
o-XYLENE,C8H10,95-47-6,OTHER ALKYLBENZENES,285.9691634,2,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
p-XYLENE,C8H10,106-42-3,OTHER ALKYLBENZENES,285.9691634,2,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CUMENE,C9H12,98-82-8,OTHER ALKYLBENZENES,313.6494448,2,0,1,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
o-ETHYLTOLUENE,C9H12,611-14-3,OTHER ALKYLBENZENES,323.8702234,2,1,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
m-ETHYLTOLUENE,C9H12,620-14-4,OTHER ALKYLBENZENES,323.8702234,2,1,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-TRIMETHYLBENZENE",C9H12,526-73-8,OTHER ALKYLBENZENES,323.127485,3,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-TRIMETHYLBENZENE",C9H12,95-63-6,OTHER ALKYLBENZENES,323.127485,3,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MESITYLENE,C9H12,108-67-8,OTHER ALKYLBENZENES,323.127485,3,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-BUTYLBENZENE,C10H14,104-51-8,N-ALKYLBENZENES,361.3171018,1,3,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOBUTYLBENZENE,C10H14,538-93-2,OTHER ALKYLBENZENES,354.7922572,2,1,1,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
sec-BUTYLBENZENE,C10H14,135-98-8,OTHER ALKYLBENZENES,354.7922572,2,1,1,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
p-CYMENE,C10H14,99-87-6,OTHER ALKYLBENZENES,362.9558786,3,0,1,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
o-DIETHYLBENZENE,C10H14,135-01-3,OTHER ALKYLBENZENES,361.729575,2,2,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
m-DIETHYLBENZENE,C10H14,141-93-5,OTHER ALKYLBENZENES,361.729575,2,2,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
p-DIETHYLBENZENE,C10H14,105-05-5,OTHER ALKYLBENZENES,361.729575,2,2,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
alpha-TOCOPHEROL,C29H50O2,59-02-9,"OTHER POLYFUNCTIONAL C, H, O",1142.890156,8,11,4,0,2,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,0,0,2,0,0,7,0,1,0,0,0,0
n-HEPTYLBENZENE,C13H20,1078-71-3,N-ALKYLBENZENES,485.3481534,1,6,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-DECYLBENZENE,C16H26,104-72-3,N-ALKYLBENZENES,610.352442,1,9,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXYLBENZENE,C12H16,827-52-1,OTHER MONOAROMATICS,409.2243388,0,5,1,0,5,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIPHENYL,C12H10,92-52-4,DIPHENYL/POLYAROMATICS,370.8438081,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
p-TERPHENYL,C18H14,92-94-4,DIPHENYL/POLYAROMATICS,547.7317685,0,0,0,0,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
m-TERPHENYL,C18H14,92-06-8,DIPHENYL/POLYAROMATICS,547.7317685,0,0,0,0,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
o-TERPHENYL,C18H14,84-15-1,DIPHENYL/POLYAROMATICS,547.7317685,0,0,0,0,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-DIPHENYLETHANE",C14H14,612-00-0,DIPHENYL/POLYAROMATICS,466.1777084,1,0,1,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYLMETHANE,C13H12,101-81-5,DIPHENYL/POLYAROMATICS,408.68996,0,1,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLMETHANE,C19H16,519-73-3,DIPHENYL/POLYAROMATICS,581.4227628,0,0,1,0,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-HEXYLBENZENE,C12H18,1077-16-3,N-ALKYLBENZENES,443.8777656,1,5,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-NONYLBENZENE,C15H24,1081-77-2,N-ALKYLBENZENES,568.5991639,1,8,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
STYRENE,C8H8,100-42-5,OTHER MONOAROMATICS,269.5026642,0,0,0,0,0,0,0,6,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
alpha-METHYLSTYRENE,C9H10,98-83-9,OTHER MONOAROMATICS,310.1616703,1,0,0,0,0,0,0,6,2,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYNYLBENZENE,C8H6,536-74-3,OTHER MONOAROMATICS,265.4009766,0,0,0,0,0,0,0,6,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
NAPHTHALENE,C10H8,91-20-3,NAPHTHALENES,308.4692538,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-METHYLNAPHTHALENE,C11H10,90-12-0,NAPHTHALENES,345.4529005,1,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-ETHYLNAPHTHALENE,C12H12,1127-76-0,NAPHTHALENES,382.9588411,1,1,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4-TETRAHYDRONAPHTHALENE",C10H12,119-64-2,NAPHTHALENES,326.0462446,0,4,0,0,4,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-n-BUTYLNAPHTHALENE,C14H16,1634-09-9,NAPHTHALENES,457.8222829,1,3,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-n-HEXYLNAPHTHALENE,C16H20,2876-53-1,NAPHTHALENES,532.4506601,1,5,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-n-PROPYLNAPHTHALENE,C13H14,2765-18-6,NAPHTHALENES,420.4173084,1,2,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-ETHYLNAPHTHALENE,C12H12,939-27-5,NAPHTHALENES,382.9588411,1,1,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
INDENE,C9H8,95-13-6,OTHER HYDROCARBON RINGS,292.5267627,0,1,0,0,1,0,0,6,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENANTHRENE,C14H10,85-01-8,OTHER CONDENSED RINGS,435.6307546,0,0,0,0,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
sec-BUTYLCYCLOHEXANE,C10H20,1/7/7058,ALKYLCYCLOHEXANES,398.0204279,2,6,2,0,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
alpha-PINENE,C10H16,80-56-8,TERPENES,360.0865933,3,2,2,1,2,2,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
beta-PINENE,C10H16,127-91-3,TERPENES,360.8004475,2,3,2,1,3,2,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GLYCOL ALDEHYDE,C2H4O2,141-46-8,"OTHER POLYFUNCTIONAL C, H, O",136.2890434,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,0,1,2,1,0,0,0,0,0,0,0,1,0,0,0
ACETYLACETONE,C5H8O2,123-54-6,KETONES,242.1159138,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,2,0,0,0
HYDRACRYLONITRILE_2002Review,C3H5NO,109-78-4,POLYFUNCTIONAL NITRILES,185.0418107,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,2,1,0,0,1,0,0,0,0,0,0,0,0
THIAINDAN,C8H8S,4565-32-6,SULFIDES/THIOPHENES,311.6946727,0,1,0,0,1,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,2,0,0,0,0,0,0
2-METHYL THIAINDAN,C9H10S,6165-55-5,SULFIDES/THIOPHENES,347.726423,1,2,0,0,2,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,1,0,0,5,0,0,0,0,0,0
TRIISOBUTYL ALUMINUM,C12H27Al,100-99-2,ORGANIC/INORGANIC COMPOUNDS,545.658816,6,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
epsilon-CAPROLACTAM_2002Review,C6H11NO,105-60-2,"POLYFUNCTIONAL C, H, O, N",284.7971521,0,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,1,0,0,1,0,2,0,0,1,0,0,0
ACETOMETHOXANE,C8H14O4,828-00-2,POLYFUNCTIONAL ESTERS,383.8732756,3,2,0,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,2,0,0,0,0,0,4,0,1,0,1,2,3,3,0,1,2,0,0
[3-(MERCAPTO)PROPYL]TRIETHOXYSILANE,C9H22O3SSi,14814-09-6,SILANES/SILOXANES,578.2083817,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,3,5,0,0,0,0,9,2,0,0,3,0,0
3-(TRIMETHOXYSILYL)-1-PROPANETHIOL,C6H16O3SSi,4420-74-0,SILANES/SILOXANES,473.4821583,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,3,3,2,0,0,0,6,0,2,0,0,0,0,0
n-DOTRIACONTANE,C32H66,544-85-4,N-ALKANES,1329.048632,2,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CYCLOHEXENE-1-ONE,C6H8O,930-68-7,KETONES,228.1075445,0,3,0,0,3,0,0,0,3,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-DIMETHYLOCTANE",C10H22,4032-94-4,DIMETHYLALKANES,426.673616,4,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-ETHYL HEXANOIC ACID_2002Review,C8H16O2,149-57-5,OTHER ALIPHATIC ACIDS,367.4160757,2,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,2,0,0,0,1,0,0,0,1,1,0,0,0
PROPYLENEIMINE,C3H7N,75-55-8,"OTHER AMINES, IMINES",159.31902,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0,0,0,3,0,0,0,0,0,0
DIAMYL KETONE,C11H22O,927-49-1,KETONES,470.4504264,2,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
THYMOL,C10H14O,89-83-8,AROMATIC ALCOHOLS,374.9934152,3,0,1,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0,0
1-METHYL-3-HYDROXY-5-ISOPROPYL BENZENE,C10H14O,3/3/3228,AROMATIC ALCOHOLS,374.9934152,3,0,1,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0,0
1-METHYL-3-HYDROXY-6-ISOPROPYL BENZENE,C10H14O,2/2/3228,AROMATIC ALCOHOLS,374.9934152,3,0,1,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0,0
RDX,C3H6N6O6,121-82-4,"C, H, NO2 COMPOUNDS",389.1205434,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,6,0,0,0,0,0,3,0
HMX,C4H8N8O8,2691-41-0,"C, H, NO2 COMPOUNDS",508.9993118,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,8,0,0,0,0,0,4,0
2-METHYLTHIACYCLOPENTANE,C5H10S,1795-09-1,SULFIDES/THIOPHENES,251.9191448,1,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0,0,0,7,0,0,0,0,0,0
sec-BUTENYL GLYCOL ETHER,C6H12O2,100524-60-5,"OTHER POLYFUNCTIONAL C, H, O",300.0970122,2,1,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,1,2,2,1,0,0,0,3,0,0,0,1,0,0
TRIMETHYL INDIUM,C3H9In,3385-78-2,ORGANIC/INORGANIC COMPOUNDS,226.6671694,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHYL GALLIUM,C6H15Ga,1115-99-7,ORGANIC/INORGANIC COMPOUNDS,284.3175363,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TIN(IV) CHLORIDE,Cl4Sn,7646-78-8,OTHER INORGANICS,265.4717835,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4
ARSENIC (III) CHLORIDE,AsCl3,7784-34-1,INORGANIC HALIDES,214.3090287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3
HEXADECAMETHYLCYCLOOCTASILOXANE,C16H48O8Si8,556-68-3,SILANES/SILOXANES,1423.568528,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,8,0,0
EICOSAMETHYLNONASILOXANE,C20H60O8Si9,2652-13-3,SILANES/SILOXANES,1423.568528,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,8,0,0
HEXACOSAMETHYLDODECASILOXANE,C26H78O11Si12,8/1/2471,SILANES/SILOXANES,2030.67643,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,0,0,0,0,0,0,0,0,0,11,0,0
(3-METHYLACRYLOXYPROPYL)TRICHLOROSILANE,C7H11Cl3O2Si,7351-61-3,SILANES/SILOXANES,511.0798931,2,1,0,0,0,0,0,0,3,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,1,0,0,2,0,1,0,0,3
BIS[3-(TRIMETHOXYSILYL)PROPYL]DISULFIDE,C12H30O6S2Si2,35112-74-4,SILANES/SILOXANES,888.6695821,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,4,0,0,0,0,0,4,0,0,6,0,0
TRIMETHYL SILANOL,C3H10OSi,1066-40-6,SILANES/SILOXANES,231.6457509,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
PROPANESULFONYL CHLORIDE,C3H7ClO2S,10147-36-1,ORGANIC/INORGANIC COMPOUNDS,253.7548388,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,2,0,0,2,0,0,1
2-HYDROXYPROPYL ACRYLATE,C6H10O3,999-61-1,POLYFUNCTIONAL ESTERS,318.304954,1,1,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,1,3,1,1,0,1,0,3,0,0,1,0,0,0
DI-(2-CHLOROETHOXY)METHANE,C5H10Cl2O2,111-91-1,"POLYFUNCTIONAL C, H, O, HALIDE",342.8262048,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,4,0,0,0,2,0,0,0,0,2,0,0
1-CHLORO-3-PROPANOL,C3H7ClO,627-30-5,"POLYFUNCTIONAL C, H, O, HALIDE",177.3909379,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,1,1,1,2,0,0,0,0,0,2,0,0,0,0,0
METHOXYACETONE,C4H8O2,5878-19-3,"OTHER POLYFUNCTIONAL C, H, O",218.6235807,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,2,1,0,0,0,0,0,0,0,1,1,0,0
STIGMASTEROL,C29H48O,83-48-7,CYCLOALIPHATIC ALCOHOLS,1048.132541,6,10,7,2,9,4,2,0,0,0,3,1,0,0,0,0,0,0,1,0,1,0,0,0,0,0,1,1,0,1,0,0,0,4,0,0,0,0,0,0
METHYL-4-FORMYLBENZOATE,C9H8O3,1571-08-0,"OTHER POLYFUNCTIONAL C, H, O",283.1654275,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,2,0,0,0
HYDROXYPIVALYL HYDROXYPIVALATE,C10H20O4,1115-20-4,POLYFUNCTIONAL ESTERS,476.3679344,6,0,0,2,0,0,0,0,0,0,0,0,0,0,1,0,0,0,2,2,0,0,0,0,0,0,2,4,3,0,0,1,0,0,0,0,1,0,0,0
TETRAETHYLENE GLYCOL MONOBUTYL ETHER,C12H26O5,1559-34-8,"OTHER POLYFUNCTIONAL C, H, O",622.7586839,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,4,0,0,0,0,1,5,9,0,0,0,0,2,0,0,0,4,0,0
METHYL para-TOLUATE,C9H10O2,99-75-2,AROMATIC ESTERS,347.886748,1,0,0,0,0,0,0,6,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,1,0,0,0,0,1,0,0,0
3-METHYLPENTANE,C6H14,96-14-0,METHYLALKANES,268.7826761,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYLBUTANE",C6H14,75-83-2,DIMETHYLALKANES,263.728501,4,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIMETHYLHEXANE",C8H18,592-13-2,DIMETHYLALKANES,344.8987167,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIETHYLPENTANE",C9H20,1067-20-5,OTHER ALKANES,381.8253081,4,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,3,3-TETRAMETHYLPENTANE",C9H20,7154-79-2,OTHER ALKANES,380.1280852,6,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,4,4-TETRAMETHYLPENTANE",C9H20,1070-87-7,OTHER ALKANES,380.1280852,6,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-DODECANE,C12H26,112-40-3,N-ALKANES,509.1948044,2,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLCYCLOPENTANE,C7H14,1640-89-7,ALKYLCYCLOPENTANES,284.8212202,1,5,1,0,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLCYCLOHEXANE,C8H16,1678-91-7,ALKYLCYCLOHEXANES,322.585728,1,6,1,0,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-BUTYLCYCLOHEXANE,C10H20,1678-93-9,ALKYLCYCLOHEXANES,400.5236638,1,8,1,0,5,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-1-BUTENE,C5H10,563-45-1,METHYLALKENES,219.3442708,2,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-2-BUTENE,C5H10,513-35-9,METHYLALKENES,222.7546445,3,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-EICOSENE,C20H40,7/1/3452,1-ALKENES,823.615609,1,17,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPADIENE,C3H4,463-49-0,DIALKENES,113.2892365,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLACETYLENE,C4H6,107-00-6,ALKYNES,168.0741876,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
1-HEXYNE,C6H10,693-02-7,ALKYNES,245.8949835,1,3,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
p-ETHYLTOLUENE,C9H12,622-96-8,OTHER ALKYLBENZENES,323.8702234,2,1,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
tert-BUTYLBENZENE,C10H14,98-06-6,OTHER ALKYLBENZENES,354.6403014,3,0,0,1,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
n-OCTYLBENZENE,C14H22,2189-60-8,N-ALKYLBENZENES,526.926549,1,7,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS[3-(TRIETHOXYSILYL)PROPYL]DISULFIDE,C18H42O6S2Si2,56706-10-6,SILANES/SILOXANES,1127.871305,6,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,10,0,0,0,0,18,4,0,0,6,0,0
"2,7-DIMETHYLOCTANE",C10H22,1072-16-8,DIMETHYLALKANES,426.673616,4,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
sec-BUTENYL ACETATE,C6H10O2,11/7/6737,ACETATES,289.1771026,2,1,0,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,1,0,3,0,0,1,0,0,0