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COMPLETE SPECIES LISTING
SPECIES CODE NAME SMILES STRING
ALKANES
METHANE
CH4 C
CH3O2 CO[O.]
CH3O C[O.]
CH3NO3 N(=O)(=O)OC
CH3O2NO2 N(=O)(=O)OOC
CH3OOH COO
ETHANE
C2H6 CC
C2H5O2 CCO[O.]
C2H5O CC[O.]
C2H5NO3 C(ON(=O)=O)C
C2H5OOH CCOO
PROPANE
C3H8 CCC
NC3H7O2 CCCO[O.]
NC3H7O CCC[O.]
NC3H7NO3 CCCON(=O)=O
NC3H7OOH CCCOO
IC3H7O2 CC(C)O[O.]
IC3H7O CC(C)[O.]
IC3H7NO3 CC(C)ON(=O)=O
IC3H7OOH CC(OO)C
N-BUTANE
NC4H10 CCCC
NC4H9O2 CCCCO[O.]
NC4H9O CCCC[O.]
NC4H9NO3 CCCCON(=O)=O
HO1C4O2 OCCCCO[O.]
HO1C4O OCCCC[O.]
HOC3H6CHO C(=O)CCCO
HO1C4NO3 OCCCCON(=O)=O
NC4H9OOH CCCCOO
HO1C4OOH OCCCCOO
HOC4H8OH OCCCCO
HO1C3O2 OCCCO[O.]
HOC3H6CO3 OCCCC(=O)O[O.]
HO1C3NO3 OCCCON(=O)=O
HO1C3O OCCC[O.]
HOC2H4CHO OCCC=O
C4PAN1 OCCCC(=O)OON(=O)=O
HOC3H6CO3H OCCCC(=O)OO
HOC3H6CO2H OCCCC(=O)O
HO1C3OOH OCCCOO
HOC3H6OH OCCCO
HOC2H4CO3 OCCC(=O)O[O.]
C3PAN1 OCCC(=O)OON(=O)=O
HOC2H4CO3H OCCC(=O)OO
HOC2H4CO2H OCCC(=O)O
SC4H9O2 CC(O[O.])CC
SC4H9NO3 CC(ON(=O)=O)CC
SC4H9O CC([O.])CC
SC4H9OOH CC(OO)CC
I-BUTANE
IC4H10 CC(C)C
IC4H9O2 CC(C)CO[O.]
IC4H9NO3 CC(C)CON(=O)=O
IC4H9O CC(C)C[O.]
IC4H9OOH CC(C)COO
TC4H9O2 CC(C)(O[O.])C
TC4H9NO3 CC(ON(=O)=O)(C)C
TC4H9O CC(C)([O.])C
TC4H9OOH CC(C)(OO)C
N-PENTANE
NC5H12 CCCCC
PEAO2 CCCCCO[O.]
PEANO3 CCCCCON(=O)=O
PEAO CCCCC[O.]
HO1C5O2 CC(O[O.])CCCO
HO1C5O CC([O.])CCCO
HO2C4CHO CC(O)CCC=O
PEAOOH CCCCCOO
PEAOH CCCCCO
HO1C5OOH CC(OO)CCCO
HO1C5NO3 CC(ON(=O)=O)CCCO
CO2C5OH CC(=O)CCCO
HO2C5OH CC(O)CCCO
HO2C4O2 CC(O)CCO[O.]
HO2C4CO3 CC(O)CCC(=O)O[O.]
HO2C4NO3 CC(O)CCON(=O)=O
HO2C4O CC(O)CC[O.]
HO2C3CHO CC(O)CC=O
HO13C4O2 OCCC(O)CO[O.]
HO13C4O OCCC(O)C[O.]
HO13C4NO3 OCCC(O)CON(=O)=O
C5PAN1 CC(O)CCC(=O)OON(=O)=O
HO2C4CO2H CC(O)CCC(=O)O
HO2C4CO3H CC(O)CCC(=O)OO
HO2C4OOH CC(O)CCOO
HO2C4OH CC(O)CCO
HO13C4OOH OCCC(O)COO
HO13C4OH OCCC(O)CO
HO13C3CHO OCCC(O)C=O
HO13C3CO3 OCCC(O)C(=O)O[O.]
CO13C4OH OCC(=O)CC=O
C4PAN2 OCCC(C(=O)OON(=O)=O)O
HO13C3CO3H OCCC(O)C(=O)OO
CO2C3CHO CC(=O)CC=O
HO2C3CO3 CC(O)CC(=O)O[O.]
C4PAN3 CC(O)CC(=O)OON(=O)=O
HO2C3CO3H CC(O)CC(=O)OO
HO2C3CO2H CC(O)CC(=O)O
PEBO2 CC(O[O.])CCC
PEBNO3 CC(ON(=O)=O)CCC
PEBO CC([O.])CCC
HO2C5O2 CC(O)CCCO[O.]
HO2C5O CC(O)CCC[O.]
HO2C5NO3 CC(O)CCCON(=O)=O
PEBOOH CC(OO)CCC
PEBOH CC(O)CCC
HO2C5OOH CC(O)CCCOO
C51O2 CC(=O)CC(O[O.])CO
CO2C4CHO CC(=O)CCC=O
C51NO3 CC(=O)CC(ON(=O)=O)CO
C51O CC(=O)CC([O.])CO
C51OOH CC(=O)CC(OO)CO
C51OH CC(=O)CC(O)CO
HO1CO24C5 CC(=O)CC(=O)CO
CO24C4CHO CC(=O)CC(=O)C=O
CO2C4CO3 CC(=O)CCC(=O)O[O.]
CO2C4CO3H CC(=O)CCC(=O)OO
CO2C4CO2H CC(=O)CCC(=O)O
C5PAN2 CC(=O)CCC(=O)OON(=O)=O
PECO2 CCC(O[O.])CC
PECNO3 CCC(ON(=O)=O)CC
PECO CCC([O.])CC
PECOOH CCC(OO)CC
PECOH CCC(O)CC
I-PENTANE
IC5H12 CC(C)CC
IPEAO2 O(CC(C)CC)[O.]
IPEAO [O.]CC(C)CC
IPEANO3 N(=O)(=O)OCC(C)CC
BUT2CHO CCC(C)C=O
C52O2 OCC(C)CCO[O.]
C52O OCC(C)CC[O.]
C52NO3 OCC(CCON(=O)=O)C
HOBUT2CHO OCCC(C)C=O
IPEAOOH OOCC(C)CC
IPEAOH OCC(C)CC
C52OOH OCC(C)CCOO
HOIBUTCHO OCC(C)CC=O
C52OH OCC(C)CCO
HOIBUTCO3 OCC(C)CC(=O)O[O.]
HOIBUTCO3H OCC(C)CC(=O)OO
C5PAN3 OCC(C)CC(=O)OON(=O)=O
BUT2CO3 CC(CC)C(=O)O[O.]
HOBUT2CO3 CC(CCO)C(=O)O[O.]
C5PAN4 CCC(C)C(=O)OON(=O)=O
C5PAN5 OCCC(C)C(=O)OON(=O)=O
BUT2CO3H CCC(C)C(=O)OO
BUT2CO2H CCC(C)C(=O)O
HOBUT2CO3H OCCC(C)C(=O)OO
HOBUT2CO2H OCCC(C)C(=O)O
IPEBO2 CC(C(C)O[O.])C
IPEBO CC(C(C)[O.])C
IPEBNO3 CC(C)C(C)ON(=O)=O
IPEBOOH CC(C)C(C)OO
IPEBOH CC(C)C(O)C
MIPK CC(C)C(=O)C
MIPKAO2 CC(=O)C(C)(C)O[O.]
MIPKAO CC(=O)C(C)(C)[O.]
MIPKBO2 CC(=O)C(C)CO[O.]
MIPKBO CC(=O)C(C)C[O.]
MIPKBNO3 CC(=O)C(C)CON(=O)=O
CO2C43CHO CC(=O)C(C)C=O
C53O2 CC(CO)C(=O)CO[O.]
C53O CC(CO)C(=O)C[O.]
HOIPRCO3 CC(C(=O)O[O.])CO
MIPKAOOH OOC(C)(C)C(=O)C
MIPKAOH OC(C)(C)C(=O)C
MIPKBOOH OOCC(C)C(=O)C
MIPKBOH OCC(C)C(=O)C
C53OOH OCC(C)C(=O)COO
C53OH OCC(C)C(=O)CO
HOIPRGLYOX OCC(C)C(=O)C=O
C4PAN4 OCC(C)C(=O)OON(=O)=O
HOIPRCO3H OCC(C)C(=O)OO
HOIPRCO2H OCC(C)C(=O)O
C41CO3 CC(C(=O)O[O.])C(=O)C
C41CO3H OOC(=O)C(C)C(=O)C
C41CO2H OC(=O)C(C)C(=O)C
C5PAN7 CC(=O)C(C)C(=O)OON(=O)=O
IPECO2 CC(O[O.])(C)CC
IPECO CC([O.])(C)CC
IPECNO3 CCC(C)(C)ON(=O)=O
IPECOOH CCC(C)(C)OO
IPECOH CCC(C)(C)O
N-HEXANE
NC6H14 CCCCCC
HEXAO2 CCCCCCO[O.]
HEXAO CCCCCC[O.]
HEXANO3 CCCCCCON(=O)=O
HO1C6O2 CCC(CCCO)O[O.]
HO1C6O CCC(CCCO)[O.]
HO1C6NO3 CCC(ON(=O)=O)CCCO
HO3C5CHO CCC(O)CCC=O
HEXAOOH CCCCCCOO
HEXAOH CCCCCCO
C5H11CHO CCCCCC=O
HO1C6OOH CCC(OO)CCCO
HO14C6 CCC(O)CCCO
HO1CO4C6 CCC(=O)CCCO
C5H11CO3 CCCCCC(=O)O[O.]
PHXN N(=O)(=O)OOC(=O)CCCCC
C5H11CO3H CCCCCC(=O)OO
HO3C5CO3 CCC(O)CCC(=O)O[O.]
HO3C5O2 CCC(CCO[O.])O
HO3C5O CCC(CC[O.])O
HO3C5NO3 CCC(O)CCON(=O)=O
HO13C5O2 C(C)(O[O.])C(CCO)O
HO13C5O C(C)([O.])C(CCO)O
HO13C5NO3 OCCC(O)C(C)ON(=O)=O
C6PAN1 CCC(O)CCC(=O)OON(=O)=O
HO3C5CO3H CCC(O)CCC(=O)OO
HO3C5CO2H CCC(O)CCC(=O)O
HO3C5OOH CCC(O)CCOO
HO13C5 CCC(O)CCO
HO3C4CHO CCC(O)CC=O
HO13C5OOH CC(OO)C(O)CCO
HO134C5 CC(O)C(O)CCO
HO13CO4C5 CC(=O)C(O)CCO
DIEKBO2 CCC(=O)CCO[O.]
DIEKBNO3 CCC(=O)CCON(=O)=O
HO1CO3C5 CCC(=O)CCO
HO3C4O2 CCC(O)CO[O.]
HO3C4CO3 CCC(O)CC(=O)O[O.]
HO3C4CO3H CCC(O)CC(=O)OO
C5PAN8 CCC(O)CC(=O)OON(=O)=O
HO1CO34C5 CC(=O)C(=O)CCO
CO23C4CHO CC(=O)C(=O)CC=O
CO23C4CO3 O=C(C)C(=O)CC(=O)O[O.]
BIACETO2 CC(=O)C(=O)CO[O.]
CO23C4CO3H CC(=O)C(=O)CC(=O)OO
C5PAN9 CC(=O)C(=O)CC(=O)OON(=O)=O
HEXBO2 CC(O[O.])CCCC
HEXBO CC([O.])CCCC
HEXBNO3 CC(CCCC)ON(=O)=O
HO2C6O2 CC(O)CCC(C)O[O.]
HO2C6O CC(O)CCC(C)[O.]
HO2C6NO3 CC(O)CCC(C)ON(=O)=O
HO2CO5C6 CC(O)CCC(=O)C
HEXBOOH CC(OO)CCCC
HEXBOH CC(O)CCCC
HEX2ONE CC(=O)CCCC
HO2C6OOH CC(O)CCC(OO)C
HO25C6 CC(O)CCC(O)C
CO25C6 CC(=O)CCC(=O)C
C61O2 CC(O)C(CC(=O)C)O[O.]
C61O CC(O)C(CC(=O)C)[O.]
C61NO3 CC(=O)CC(C(O)C)ON(=O)=O
CO2C3CHO CC(=O)CC=O
C61OOH CC(=O)CC(OO)C(O)C
C61OH CC(=O)CC(O)C(O)C
C61CO CC(=O)CC(=O)C(O)C
CO235C6 CC(=O)CC(=O)C(=O)C
C62O2 CC(=O)C(=O)C(C(=O)C)O[O.]
C62OOH CC(=O)C(OO)C(=O)C(=O)C
C62O CC(=O)C(=O)C(C(=O)C)[O.]
CO25C6O2 CC(=O)C(O[O.])CC(=O)C
CO25C6O CC(=O)C([O.])CC(=O)C
CO25C6OOH CC(=O)CC(OO)C(=O)C
CO25C6OH CC(=O)CC(O)C(=O)C
HEXCO2 CCCC(CC)O[O.]
HEXCO CCCC(CC)[O.]
HEXCNO3 CCCC(ON(=O)=O)CC
HEX3ONE CCCC(=O)CC
HO3C6O2 CCC(O)CCCO[O.]
HO3C6O CCC(O)CCC[O.]
HO3C6NO3 CCC(CCCON(=O)=O)O
HEXCOOH CCCC(OO)CC
HEXCOH CCCC(O)CC
HO3C6OOH CCC(CCCOO)O
C63O2 OCC(CC(=O)CC)O[O.]
CO3C5CHO CCC(=O)CCC=O
C63O OCC(CC(=O)CC)[O.]
C63NO3 OCC(ON(=O)=O)CC(=O)CC
CO3C4CHO CCC(=O)CC=O
C63OOH OCC(OO)CC(=O)CC
C63OH OCC(O)CC(=O)CC
HO1CO24C6 OCC(=O)CC(=O)CC
CO35C5CHO CCC(=O)CC(=O)C=O
CO3C4CO3 C(=O)OON(=O)=O
CO3C4CO3H CCC(=O)CC(=O)OO
CO3C4CO2H CCC(=O)CC(=O)O
CO3C5CO3 CCC(=O)CCC(=O)O[O.]
C6PAN2 CCC(=O)CCC(=O)OON(=O)=O
CO3C5CO3H CCC(=O)CCC(=O)OO
CO3C5CO2H CCC(=O)CCC(=O)O
NEOPENTANE
NEOP CC(C)(C)C
NEOPO2 CC(C)(C)CO[O.]
NEOPO CC(C)(C)C[O.]
NEOPNO3 CC(C)(C)CON(=O)=O
NEOPOOH CC(C)(C)COO
NEOPOH CC(C)(C)CO
TBUTCHO CC(C)(C)C=O
TBUTCO3 CC(C)(C)C(=O)O[O.]
TBUTCO3H CC(C)(C)C(=O)OO
C5PAN6 CC(C)(C)C(=O)OON(=O)=O
2-ME-PENTANE
M2PE CC(C)CCC
M2PEAO2 CCCC(C)CO[O.]
M2PEAO CCCC(C)C[O.]
M2PEANO3 CCCC(C)CON(=O)=O
HO1MC5O2 OCC(C)CC(O[O.])C
HO1MC5O OCC(C)CC([O.])C
HO1MC5NO3 OCC(C)CC(C)ON(=O)=O
HO2C54CHO CC(O)CC(C)C=O
M2PEAOOH CCCC(C)COO
M2PEAOH CCCC(C)CO
C54CHO CCCC(C)C=O
HO1MC5OOH OCC(C)CC(C)OO
C54CO3 CCCC(C)C(=O)O[O.]
C6PAN3 CCCC(C)C(=O)OON(=O)=O
C54CO3H CCCC(C)C(=O)OO
HO2C54CO3 CC(O)CC(C)C(=O)O[O.]
HO2C54O2 CC(O)CC(C)O[O.]
HO2C54O CC(O)CC(C)[O.]
HO2C54NO3 CC(O)CC(C)ON(=O)=O
HO24C5O2 CC(O)CC(O)CO[O.]
HO24C5O CC(O)CC(O)C[O.]
HO24C5NO3 CC(O)CC(O)CON(=O)=O
C6PAN4 CC(O)CC(C)C(=O)OON(=O)=O
HO2C54CO3H CC(O)CC(C)C(=O)OO
HO2C54CO2H CC(O)CC(C)C(=O)O
HO2C54OOH CC(O)CC(C)OO
HO24C5 CC(O)CC(O)C
HO2CO4C5 CC(O)CC(=O)C
HO24C5OOH CC(O)CC(O)COO
HO24C4CHO CC(O)CC(O)C=O
HO124C5 CC(O)CC(O)CO
HO24C4CO3 CC(O)CC(O)C(=O)O[O.]
C5PAN10 CC(O)CC(O)C(=O)OON(=O)=O
HO24C4CO3H CC(O)CC(O)C(=O)OO
M2PEBO2 CC(C)CC(C)O[O.]
M2PEBO CC(C)CC(C)[O.]
M2PEBNO3 CC(C)CC(C)ON(=O)=O
MIBK CC(C)CC(=O)C
HO2MC5O2 CC(O)CC(C)CO[O.]
HO2MC5O CC(O)CC(C)C[O.]
HO2MC5NO3 CC(O)CC(C)CON(=O)=O
CO2MC5OH CC(=O)CC(C)CO
M2PEBOOH CC(C)CC(C)OO
M2PEBOH CC(C)CC(C)O
HO2MC5OOH CC(O)CC(C)COO
HO14MC5 CC(O)CC(C)CO
C64O2 CC(=O)CC(C)(O[O.])CO
CO2C54CHO CC(=O)CC(C=O)C
C64O CC(=O)CC(C)([O.])CO
C64NO3 CC(=O)CC(C)(CO)ON(=O)=O
C64OOH CC(=O)CC(C)(OO)CO
C64OH CC(=O)CC(C)(O)CO
CO2C54CO3 CC(=O)CC(C)C(=O)O[O.]
C65O2 CC(=O)CC(C)(O[O.])C=O
CO2C54O2 CC(=O)CC(O[O.])C
C65O CC(=O)CC(C)([O.])C=O
C6PAN5 CC(=O)CC(C)C(=O)OON(=O)=O
CO2C54CO3H CC(=O)CC(C)C(=O)OO
CO2C54CO2H CC(=O)CC(C)C(=O)O
C65OOH CC(=O)CC(C)(OO)C=O
C65OH CC(=O)CC(C)(O)C=O
M2PECO2 CC(C)C(CC)O[O.]
M2PECO CC(C)C(CC)[O.]
M2PECNO3 CC(C)C(CC)ON(=O)=O
EIPK CC(C)C(=O)CC
M2PECOOH CC(C)C(CC)OO
M2PECOH CC(C)C(CC)O
EIPKAO2 CCC(=O)C(C)(C)O[O.]
EIPKBO2 CCC(=O)C(C)CO[O.]
EIPKAO CCC(=O)C(C)(C)[O.]
EIPKBO CCC(=O)C(C)C[O.]
EIPKBNO3 CCC(=O)C(C)CON(=O)=O
C66O2 OCC(C)C(=O)C(C)O[O.]
C66O OCC(C)C(=O)C(C)[O.]
EIPKAOOH CCC(=O)C(C)(C)OO
EIPKAOH CCC(=O)C(C)(C)O
EIPKBOOH CCC(=O)C(C)COO
EIPKBOH CCC(=O)C(C)CO
CO3C54CHO CCC(=O)C(C)C=O
C66OOH CC(OO)C(=O)C(C)CO
C66OH CC(O)C(=O)C(C)CO
C66CO CC(=O)C(=O)C(C)CO
DIEKAO2 CCC(=O)C(C)O[O.]
CO3C54CO3 C(C)C(=O)OON(=O)=O
CO3C54CO3H CCC(=O)C(C)C(=O)OO
C23C54CHO CC(=O)C(=O)C(C)C=O
C23C54CO3 CC(=O)C(=O)C(C)C(=O)O[O.]
C23C54CO3H CC(=O)C(=O)C(C)C(=O)OO
CO23C54O2 CC(=O)C(=O)C(C)O[O.]
C6PAN7 CC(=O)C(=O)C(C)C(=O)OON(=O)=O
M2PEDO2 CCCC(C)(C)O[O.]
M2PEDO CCCC(C)(C)[O.]
M2PEDNO3 CCCC(C)(C)ON(=O)=O
HO2M2C5O2 OC(C)(C)CCCO[O.]
HO2M2C5O OC(C)(C)CCC[O.]
HO2M2C5NO3 CC(O)(C)CCCON(=O)=O
H2M2C4CHO OC(C)(C)CCC=O
M2PEDOOH OOC(C)(C)CCC
M2PEDOH C(C)(C)(O)CCC
HO2M2C5OOH CC(O)(C)CCCOO
HO2M2C5OH OC(C)(C)CCCO
HO2M2C4O2 OC(C)(C)CCO[O.]
H2M2C4CO3 OC(C)(C)CCC(=O)O[O.]
H2M2C4CO3H OC(C)(C)CCC(=O)OO
H2M2C4CO2H OC(C)(C)CCC(=O)O
C6PAN8 OC(C)(C)CCC(=O)OON(=O)=O
C67O2 OC(C)(C)C(O[O.])CC=O
C67O OC(C)(C)C([O.])CC=O
C67NO3 OC(C)(C)C(ON(=O)=O)CC=O
C67OOH OC(C)(C)C(OO)CC=O
C67OH OC(C)(C)C(O)CC=O
C67CHO OC(C)(C)C(=O)CC=O
HO2M2C4O OC(C)(C)CC[O.]
HO2M2C4NO3 CC(O)(C)CCON(=O)=O
HO2M2C4OOH OC(C)(C)CCOO
HO2M2C4OH OC(C)(C)CCO
C54O2 OCCC(C)(O)CO[O.]
C54O OCCC(C)(O)C[O.]
C54NO3 OCCC(C)(O)CON(=O)=O
C54OOH OCCC(C)(O)COO
C54OH OCCC(C)(O)CO
H13C43CHO OCCC(C)(O)C=O
H2M2C3CHO CC(C)(O)CC=O
H2M2C3CO3 CC(C)(O)CC(=O)O[O.]
H2M2C3CO3H CC(C)(O)CC(=O)OO
C5PAN11 CC(C)(O)CC(=O)OON(=O)=O
H13C43CO3 OCCC(C)(O)C(=O)O[O.]
C5PAN12 OCCC(C)(O)C(=O)OON(=O)=O
H13C43CO3H OCCC(C)(O)C(=O)OO
C67CO3 CC(C)(O)C(=O)CC(=O)O[O.]
C6PAN9 CC(C)(O)C(=O)CC(=O)OON(=O)=O
C67CO3H CC(C)(O)C(=O)CC(=O)OO
C55O2 CC(C)(O)C(=O)CO[O.]
C55O CC(C)(O)C(=O)C[O.]
C55OOH CC(C)(O)C(=O)COO
HCOCH2CHO C(=O)CC=O
HCOCH2CO3 C(=O)CC(=O)O[O.]
C3PAN2 C(=O)CC(=O)OON(=O)(=O)
HCOCH2CO3H C(=O)CC(=O)OO
HCOCH2CO2H C(=O)CC(=O)O
3-ME-PENTANE
M3PE CCC(C)CC
M3PEAO2 CCC(C)CCO[O.]
M3PEAO CCC(C)CC[O.]
M3PEANO3 CCC(C)CCON(=O)=O
H1MC5O2 OCCC(C)C(O[O.])C
H1MC5O OCCC(C)C(C)[O.]
H1MC5NO3 OCCC(C)C(C)ON(=O)=O
H2M3C4CHO CC(O)C(C)CC=O
M3PEAOOH CCC(C)CCOO
M3PEAOH CCC(C)CCO
M3C4CHO CCC(C)CC=O
H1MC5OOH OCCC(C)C(C)OO
M3C4CO3 CCC(C)CC(=O)O[O.]
C6PAN10 CCC(C)CC(=O)OON(=O)=O
M3C4CO3H CCC(C)CC(=O)OO
H2M3C4O2 CC(O)C(C)CO[O.]
H2M3C4CO3 CC(O)C(C)CC(=O)O[O.]
H2M3C4NO3 CC(O)C(C)CON(=O)=O
H2M3C4O CC(O)C(C)C[O.]
HO2C43CHO CC(O)C(C)C=O
C56O2 OCC(C)C(O)CO[O.]
C56O OCC(C)C(O)C[O.]
C56NO3 OCC(C)C(O)ON(=O)=O
C68O2 CC(O)C(C)(O[O.])CC=O
C68O CC(O)C(C)([O.])CC=O
C68NO3 CC(O)C(C)(ON(=O)=O)CC=O
C6PAN11 CC(O)C(C)CC(=O)OON(=O)=O
H2M3C4CO3H CC(O)C(C)CC(=O)OO
H2M3C4CO2H CC(O)C(C)CC(=O)O
H2M3C4OOH CC(O)C(C)COO
HO13M2C4 CC(O)C(C)CO
C56OOH OOCC(O)C(C)CO
C56OH OCC(C)C(O)CO
C42CHO OCC(C)C(O)C=O
C42CO3 OCC(C)C(O)C(=O)O[O.]
C68OOH O=CCC(C)(OO)C(C)O
C68OH O=CCC(C)(O)C(C)O
C5PAN13 OCC(C)C(O)C(=O)OON(=O)=O
C42CO3H OCC(C)C(O)C(=O)OO
HO2C43CO3 CC(O)C(C)C(=O)O[O.]
HO2C43CO3H CC(O)C(C)C(=O)OO
HO2C43CO2H CC(O)C(C)C(=O)O
C5PAN14 CC(O)C(C)C(=O)OON(=O)=O
M3PEBO2 CCC(C)C(O[O.])C
M3PEBO CCC(C)C(C)[O.]
M3PEBNO3 CCC(C)C(C)ON(=O)=O
H2MC5O2 CC(O)C(C)CCO[O.]
H2MC5OOH CC(O)C(C)CCOO
H2MC5O CC(O)C(C)CC[O.]
H2MC5NO3 CC(O)C(C)CCON(=O)=O
M2BK CC(=O)C(C)CC
CO2M3C5OH CC(=O)C(C)CCO
M3PEBOOH CC(OO)C(C)CC
M3PEBOH CC(O)C(C)CC
HO14M3C5 CC(O)C(C)CCO
M2BKAO2 CC(=O)C(C)C(C)O[O.]
M2BKBO2 CC(=O)C(C)(CC)O[O.]
M2BKAO CC(=O)C(C)C(C)[O.]
M2BKANO3 CC(=O)C(C)C(C)ON(=O)=O
CO24M3C5 CC(=O)C(C)C(=O)C
C69O2 CC(O)C(C)C(=O)CO[O.]
C69O CC(O)C(C)C(=O)C[O.]
M2BKBO CC(=O)C(CC)(C)[O.]
CO2M3C4CHO CC(=O)C(C)CC=O
C610O2 CC(=O)C(C)C(CO)O[O.]
C610O CC(=O)C(C)C(CO)[O.]
C610NO3 CC(=O)C(C)C(CO)ON(=O)=O
M2BKAOH CC(=O)C(C)C(O)C
M2BKAOOH CC(=O)C(C)C(OO)C
C69OOH CC(O)C(C)C(=O)COO
C69OH CC(O)C(C)C(=O)CO
H2M3CO4CHO CC(O)C(C)C(=O)C=O
M2BKBOOH CC(=O)C(CC)(C)OO
M2BKBOH CC(=O)C(CC)(C)O
C610OOH CC(=O)C(C)C(OO)CO
C610OH CC(=O)C(C)C(O)CO
CO24M3C5OH CC(=O)C(C)C(=O)CO
CO24M3CHO CC(=O)C(C)C(=O)C=O
CO2M3C4CO3 CC(=O)C(C)CC(=O)O[O.]
C51CO3H CC(=O)C(C)CC(=O)OO
C51CO2H CC(=O)C(C)CC(=O)O
C6PAN12 CC(=O)C(C)CC(=O)OON(=O)=O
C611O2 CC(=O)C(C)(O[O.])C(=O)C
C611O CC(=O)C([O.])(C)C(=O)C
C611OOH CC(=O)C(C)(OO)C(=O)C
C611OH CC(=O)C(O)(C)C(=O)C
M3PECO2 CC(CC)(CC)O[O.]
M3PECO CC(CC)([O.])CC
M3PECNO3 CC(CC)(ON(=O)=O)CC
M3PECOOH CC(CC)(OO)CC
M3PECOH CC(CC)(O)CC
2,2-DiME-BUTANE
M22C4 CCC(C)(C)C
M22C4O2 C(O[O.])CC(C)(C)C
M22C4O [O.]CCC(C)(C)C
M22C4NO3 C(ON(=O)=O)CC(C)(C)C
M22C4OOH C(OO)CC(C)(C)C
M22C4OH C(O)CC(C)(C)C
M22C3CHO CC(C)(C)CC=O
HM33C4O2 OCCC(C)(C)CO[O.]
HM33C4O OCCC(C)(C)C[O.]
HM33C4OOH OCCC(C)(C)COO
HM33C4OH OCCC(C)(C)CO
HM33C4NO3 OCCC(C)(C)CON(=O)=O
M22C3CO3 CC(C)(C)CC(=O)O[O.]
M22C3CO3H CC(C)(C)CC(=O)OO
C6PAN17 CC(C)(C)CC(=O)OON(=O)=O
HM22C3CO3 OCC(C)(C)CC(=O)O[O.]
HM22C3CHO OCC(C)(C)CC=O
HM22C3CO3H OCC(C)(C)CC(=O)OO
HM22C3CO2H OCC(C)(C)CC(=O)O
C6PAN14 OCC(C)(C)CC(=O)OON(=O)=O
HM22C3O2 OCC(C)(C)CO[O.]
HM22C3O OCC(C)(C)C[O.]
HM22C3NO3 OCC(C)(C)CON(=O)=O
HM22C3OOH OCC(C)(C)COO
HM22C3OH OCC(C)(C)CO
HM22CHO OCC(C)(C)C=O
HM22CO3 OCC(C)(C)C(=O)O[O.]
HM22CO3H OCC(C)(C)C(=O)OO
HM22CO2H OCC(C)(C)C(=O)O
C5PAN15 OCC(C)(C)C(=O)OON(=O)=O
M33C4O2 CCC(C)(C)CO[O.]
M33C4O CCC(C)(C)C[O.]
M33C4NO3 CCC(C)(C)CON(=O)=O
M33C4OOH CCC(C)(C)COO
M33C4OH CCC(C)(C)CO
M33C3CHO CCC(C)(C)C=O
HM22C4O2 OCC(C)(C)CCO[O.]
HM22C4O OCC(C)(C)CC[O.]
HM22C4OOH OCC(C)(C)CCOO
HM33C3CHO OCCC(C)(C)C=O
HM22C4NO3 OCC(C)(CCON(=O)=O)C
M33C3CO3 CCC(C)(C)C(=O)O[O.]
M33C3CO3H CCC(C)(C)C(=O)OO
M33C3CO2H CCC(C)(C)C(=O)O
C6PAN15 CCC(C)(C)C(=O)OON(=O)=O
HM33C3CO3 OCCC(C)(C)C(=O)O[O.]
HM33C3CO3H OCCC(C)(C)C(=O)OO
HM33C3CO2H OCCC(C)(C)C(=O)O
C6PAN13 OCCC(C)(C)C(=O)OON(=O)=O
HM33C3O2 OCCC(C)(C)O[O.]
HM33C3O OCCC(C)(C)[O.]
HM33C3NO3 OCCC(C)(C)ON(=O)=O
HM33C3OOH OCCC(C)(C)OO
M22C43O2 CC(C)(C)C(C)O[O.]
M22C43O CC(C)(C)C(C)[O.]
M22C43NO3 CC(C)(C)C(C)ON(=O)=O
M22C43OOH CC(C)(C)C(C)OO
M22C43OH CC(C)(C)C(C)O
MTBK CC(C)(C)C(=O)C
MTBKO2 CC(C)(CO[O.])C(=O)C
MTBKO CC(C)(C[O.])C(=O)C
MTBKNO3 CC(C)(CON(=O)=O)C(=O)C
CO2M33CHO CC(=O)C(C)(C)C=O
C612O2 OCC(C)(C)C(=O)CO[O.]
C612O OCC(C)(C)C(=O)C[O.]
C612OOH OCC(C)(C)C(=O)COO
C612OH OCC(C)(C)C(=O)CO
HM22COCHO OCC(C)(C)C(=O)C=O
CO2M33CO3 CC(=O)C(C)(C)C(=O)O[O.]
CO2M33CO3H CC(=O)C(C)(C)C(=O)OO
CO2M33CO2H CC(=O)C(C)(C)C(=O)O
C6PAN16 CC(=O)C(C)(C)C(=O)OON(=O)=O
2,3-DiME-BUTANE
M23C4 CC(C)C(C)C
M23C4O2 CC(C)C(C)CO[O.]
M23C4O CC(C)C(C)C[O.]
M23C4NO3 CC(C)C(C)CON(=O)=O
M23C4OOH CC(C)C(C)COO
M23C4OH CC(C)C(C)CO
M2C43CHO CC(C)C(C)C=O
HM23C4O2 OCC(C)C(C)CO[O.]
HM23C4O OCC(C)C(C)C[O.]
HM23C4NO3 OCC(C)C(C)CON(=O)=O
HM23C4OOH OCC(C)C(C)COO
HM23C4OH OCC(C)C(C)CO
HM2C43CHO OCC(C)C(C)C=O
M2C43CO3 CC(C)C(C)C(=O)O[O.]
M2C43CO3H CC(C)C(C)C(=O)OO
M2C43CO2H CC(C)C(C)C(=O)O
C6PAN18 CC(C)C(C)C(=O)OON(=O)=O
HM2C43CO3 OCC(C)C(C)C(=O)O[O.]
HM2C43CO3H OCC(C)C(C)C(=O)OO
HM2C43CO2H OCC(C)C(C)C(=O)O
C6PAN19 OCC(C)C(C)C(=O)OON(=O)=O
HM2C43O2 OCC(C)C(C)O[O.]
HM2C43O OCC(C)C(C)[O.]
HM2C43OOH OCC(C)C(C)OO
HM2C43NO3 OCC(C)C(C)ON(=O)=O
M23C43O2 CC(C)C(C)(C)O[O.]
M23C43O CC(C)C(C)(C)[O.]
M23C43NO3 CC(C)C(C)(C)ON(=O)=O
M23C43OOH CC(C)C(C)(C)OO
M23C43OH CC(C)C(C)(C)O
N-HEPTANE
NC7H16 CCCCCCC
HEPTO2 CCC(CCCC)O[O.]
HEPTO CCC(CCCC)[O.]
HEPTNO3 CCC(CCCC)ON(=O)=O
HEPTOOH CCC(CCCC)OO
HEPTOH CCC(CCCC)O
HO3C76O2 CCC(CCC(C)O[O.])O
HO3C76O CCC(CCC(C)[O.])O
HO3C76NO3 CCC(CCC(C)ON(=O)=O)O
HO3C76OOH CCC(CCC(C)OO)O
HEPT3ONE CCC(=O)CCCC
HO3CO6C7 CCC(CCC(=O)C)O
HO25C7 CCC(CCC(C)O)O
CO3C75O2 CCC(=O)CC(CC)O[O.]
CO3C75O CCC(=O)CC(CC)[O.]
CO3C75OOH CCC(=O)CC(CC)OO
C71O2 CC(C(=O)CC(CC)O)O[O.]
C71O CC(C(=O)CC(CC)O)[O.]
C71OOH CC(C(=O)CC(CC)O)OO
HO2CO5C7 CCC(=O)CCC(C)O
CO25C7 CCC(=O)CCC(=O)C
C72O2 CCC(=O)CC(C(C)O)O[O.]
C72O CCC(=O)CC(C(C)O)[O.]
C72NO3 CCC(=O)CC(C(C)O)ON(=O)=O
C72OOH CCC(=O)CC(C(C)O)OO
C72OH CCC(=O)CC(C(C)O)O
HO2CO35C7 CCC(=O)CC(=O)C(C)O
CO235C7 CCC(=O)CC(=O)C(=O)C
C73O2 CC(C(=O)CC(=O)C(=O)C)O[O.]
C73O CC(C(=O)CC(=O)C(=O)C)[O.]
C73OOH CC(C(=O)CC(=O)C(=O)C)OO
CO25C73O2 CCC(=O)CC(C(=O)C)O[O.]
CO25C73O CCC(=O)CC(C(=O)C)[O.]
CO25C73OOH CCC(=O)CC(C(=O)C)OO
CO25C73OH CCC(=O)CC(C(=O)C)O
CO25C74O2 CCC(=O)C(CC(=O)C)O[O.]
CO25C74O CCC(=O)C(CC(=O)C)[O.]
CO25C74OOH CCC(=O)C(CC(=O)C)OO
CO25C74OH CCC(=O)C(CC(=O)C)O
CO245C7 CCC(=O)C(=O)CC(=O)C
C74O2 CC(C(=O)C(=O)CC(=O)C)O[O.]
C74O CC(C(=O)C(=O)CC(=O)C)[O.]
C74OOH CC(C(=O)C(=O)CC(=O)C)OO
2-METHYL HEXANE
M2HEX CC(C)CCCC
M2HEXAO2 CC(C)CCC(C)O[O.]
M2HEXAO CC(C)CCC(C)[O.]
M2HEXANO3 CC(C)CCC(C)ON(=O)=O
M2HEXAOOH CC(C)CCC(C)OO
M2HEXAOH CC(C)CCC(C)O
M2CO5C6 CC(C)CCC(=O)C
H2M5C65O2 CC(O)CCC(C)(C)O[O.]
H2M5C65O CC(O)CCC(C)(C)[O.]
H2M5C65NO3 CC(O)CCC(C)(C)ON(=O)=O
H2M5C65OOH CC(O)CCC(C)(C)OO
H25M2C6 CC(O)CCC(C)(C)O
C75O2 CC(=O)CC(O[O.])C(C)C
C75O CC(=O)CC(C(C)C)[O.]
C75OOH CC(=O)CC(OO)C(C)C
C76O2 CC(C)C(O)CC(=O)CO[O.]
C76O CC(C)C(O)CC(=O)C[O.]
C76OOH CC(C)C(O)CC(=O)COO
H3M2C4CO3 CC(C)C(O)CC(=O)O[O.]
H3M2C4CO3H CC(C)C(O)CC(=O)OO
C6PAN20 CC(C)C(O)CC(=O)OON(=O)=O
H2M2CO5C6 CC(=O)CCC(C)(C)O
C77O2 CC(=O)CC(O[O.])C(C)(C)O
C77O CC(=O)CC([O.])C(C)(C)O
C77NO3 CC(O)(C)C(CC(=O)C)ON(=O)=O
C77OH CC(=O)CC(O)C(C)(C)O
C77OOH CC(=O)CC(OO)C(C)(C)O
C77CO CC(=O)CC(=O)C(C)(C)O
C78O2 CC(=O)C(O[O.])CC(C)(C)O
C78O CC(=O)C([O.])CC(C)(C)O
C78OOH CC(=O)C(OO)CC(C)(C)O
C78OH CC(=O)C(O)CC(C)(C)O
C78CO CC(=O)C(=O)CC(C)(C)O
C79O2 CC(=O)CC(=O)C(C)(O)CO[O.]
C79O CC(=O)CC(=O)C(C)(O)C[O.]
C79OOH CC(=O)CC(=O)C(C)(O)COO
M2HEXBO2 CCCCC(C)(C)O[O.]
M2HEXBO CCCCC(C)(C)[O.]
M2HEXBNO3 CCCCC(C)(C)ON(=O)=O
M2HEXBOOH CCCCC(C)(C)OO
M2HEXBOH CCCCC(C)(C)O
H2M2C65O2 CC(O)(C)CCC(C)O[O.]
H2M2C65O CC(O)(C)CCC(C)[O.]
H2M2C65NO3 CC(O)(C)CCC(C)ON(=O)=O
H2M2C65OOH CC(O)(C)CCC(C)OO
3-METHYL HEXANE
M3HEX CCC(C)CCC
M3HEXAO2 CCC(C)CC(C)O[O.]
M3HEXAO CCC(C)CC(C)[O.]
M3HEXANO3 CCC(C)CC(C)ON(=O)=O
M3HEXAOOH CCC(C)CC(C)OO
M3HEXAOH CCC(C)CC(C)O
H2M4C65O2 CC(O)CC(C)C(C)O[O.]
H2M4C65O CC(O)CC(C)C(C)[O.]
H2M4C65NO3 CC(O)CC(C)C(C)ON(=O)=O
H2M4C65OOH CC(O)CC(C)C(C)OO
H25M3C6 CC(O)CC(C)C(C)O
M3CO5C6 CC(=O)CC(C)CC
C710O2 CC(=O)CC(C)(CC)O[O.]
C710O CC(=O)CC(C)(CC)[O.]
C710OOH CC(=O)CC(C)(CC)OO
C711O2 CCC(C)(O)CC(=O)CO[O.]
C711O CCC(C)(O)CC(=O)C[O.]
C711OOH CCC(C)(O)CC(=O)COO
H2M4CO5C6 CC(=O)C(C)CC(O)C
H3M3C4CO3 CCC(C)(O)CC(=O)O[O.]
H3M3C4CO3H CCC(C)(O)CC(=O)OO
C6PAN21 CCC(C)(O)CC(=O)OON(=O)=O
H3M3C4CHO CCC(C)(O)CC=O
H2M3CO5C6 CC(O)C(C)CC(=O)C
C712O2 CC(=O)CC(C)(C(O)C)O[O.]
C712O CC(=O)CC(C)(C(O)C)[O.]
C712NO3 CC(=O)CC(C)(ON(=O)=O)C(O)C
C712OOH CC(=O)CC(C)(OO)C(O)C
C712OH CC(=O)CC(C)(O)C(O)C
M3CO25C6 CC(=O)CC(C)C(=O)C
C713O2 CC(=O)CC(C)(O[O.])C(=O)C
C713O CC(=O)CC([O.])(C)C(=O)C
C713OOH CC(=O)CC(C)(OO)C(=O)C
C713OH CC(=O)CC(O)(C)C(=O)C
C714O2 CC(=O)C(C)C(O[O.])C(=O)C
C714O CC(=O)C(C)C([O.])C(=O)C
M3CO245C6 CC(=O)C(C)C(=O)C(=O)C
C714OOH CC(=O)C(OO)C(C)C(=O)C
C714OH CC(=O)C(O)C(C)C(=O)C
M3CO24C6 CCC(=O)C(C)C(=O)C
C715O2 CCC(=O)C(C)(O[O.])C(=O)C
C715O CCC(=O)C([O.])(C)C(=O)C
C715OOH CCC(=O)C(C)(OO)C(=O)C
M3HEXBO2 CCCC(C)(CC)O[O.]
M3HEXBO CCCC(C)(CC)[O.]
M3HEXBNO3 CCCC(C)(CC)ON(=O)=O
M3HEXBOOH CCCC(C)(CC)OO
M3HEXBOH CCCC(C)(CC)O
H3M3C6O2 CCC(CCCO[O.])(C)O
H3M3C6O CCC(CCC[O.])(C)O
H3M3C6NO3 CCC(CCCON(=O)=O)(C)O
H14M4C6 CCC(CCCO)(C)O
H3M3C5CHO CCC(CCC=O)(C)O
H3M3C5CO3 CCC(CCC(=O)O[O.])(C)O
H3M3C5CO3H CCC(CCC(=O)OO)(C)O
H3M3C5CO2H CCC(CCC(=O)O)(C)O
H3M3C5O2 CCC(CCO[O.])(C)O
H3M3C5O CCC(CC[O.])(C)O
H3M3C5NO3 CCC(CCON(=O)=O)(C)O
H3M3C5OOH CCC(CCOO)(C)O
H13M3C5 CCC(CCO)(C)O
H13M3C5O2 OCCC(O)(C)C(C)O[O.]
H13M3C5O OCCC(C)(O)C(C)[O.]
H13M3C5OOH OCCC(C)(O)C(C)OO
H13M3C5NO3 OCCC(O)(C)C(C)ON(=O)=O
H134M3C5 OCCC(C)(O)C(C)O
H13M3CO4C5 OCCC(O)(C)C(=O)C
C613O2 CC(=O)C(O)(C)C(CO)O[O.]
C613O CC(=O)C(O)(C)C(CO)[O.]
C613OOH CC(=O)C(O)(C)C(CO)OO
C7PAN1 CCC(O)(C)CCC(=O)OON(=O)=O
N-OCTANE
NC8H18 CCCCCCCC
OCTO2 CCCCCC(CC)O[O.]
OCTO CCCCCC(CC)[O.]
OCTNO3 CCCCCC(CC)ON(=O)=O
OCTOOH CCCCCC(CC)OO
OCTOH CCCCCC(CC)O
OCT3ONE CCCCCC(=O)CC
HO3C86O2 CCC(CCC(CC)O[O.])O
HO3C86O CCC(CCC(CC)[O.])O
HO3C86NO3 CCC(CCC(CC)ON(=O)=O)O
HO3C86OOH CCC(CCC(CC)OO)O
HO36C8 CCC(CCC(CC)O)O
CO3C85O2 CCCC(CC(=O)CC)O[O.]
CO3C85O CCCC(CC(=O)CC)[O.]
CO3C85OOH CCCC(CC(=O)CC)OO
C81O2 CCCC(CC(=O)C(C)O[O.])O
C81O CCCC(CC(=O)C(C)[O.])O
C81OOH CCCC(CC(=O)C(C)OO)O
HO4C5CO3 CCCC(CC(=O)O[O.])O
HO4C5CO3H CCCC(CC(=O)OO)O
C6PAN22 CCCC(CC(=O)OON(=O)=O)O
HO3CO6C8 CCC(O)CCC(=O)CC
C82O2 CCC(=O)CC(O[O.])C(O)CC
C82O CCC(=O)CC(C(O)CC)[O.]
C82NO3 CCC(=O)CC(C(O)CC)ON(=O)=O
C82OOH CCC(=O)CC(OO)C(O)CC
HO34CO6C8 CCC(=O)CC(O)C(O)CC
HO3CO46C8 CCC(=O)CC(=O)C(O)CC
CO346C8 CCC(=O)C(=O)CC(=O)CC
C83O2 CCC(=O)C(=O)C(O[O.])C(=O)CC
C83O CCC(=O)C([O.])C(=O)C(=O)CC
C83OOH CCC(=O)C(=O)C(OO)C(=O)CC
CO36C8 CCC(=O)CCC(=O)CC
C84O2 CCC(=O)CC(O[O.])C(=O)CC
C84O CCC(=O)C([O.])CC(=O)CC
C84OOH CCC(=O)CC(OO)C(=O)CC
C84OH CCC(=O)CC(O)C(=O)CC
N-NONANE
NC9H20 CCCCCCCCC
NONO2 CCC(CCCCCC)O[O.]
NONO CCC(CCCCCC)[O.]
NONNO3 CCC(CCCCCC)ON(=O)=O
HO3C96O2 CCC(CCC(CCC)O[O.])O
HO3C96O CCC(CCC(CCC)[O.])O
HO3C96NO3 CCC(CCC(CCC)ON(=O)=O)O
HO4CO7C9 CCC(=O)CCC(O)CCC
NONOOH CCC(CCCCCC)OO
NONOH CCC(CCCCCC)O
NONBONE CCC(=O)CCCCCC
HO3C96OOH CCC(CCC(CCC)OO)O
HO36C9 CCC(CCC(CCC)O)O
C91O2 CCC(=O)CC(CCCC)O[O.]
C91O CCC(=O)CC(CCCC)[O.]
C91OOH CCC(=O)CC(CCCC)OO
C92O2 CC(C(=O)CC(CCCC)O)O[O.]
C92O CC(C(=O)CC(CCCC)O)[O.]
C92OOH CC(C(=O)CC(CCCC)O)OO
HO5C6CO3 CCCCC(O)CC(=O)O[O.]
HO5C6CO3H CCCCC(O)CC(=O)OO
C7PAN2 CCCCC(O)CC(=O)OON(=O)=O
HO5C6O2 CCCCC(O)CO[O.]
HO5C6O CCCCC(O)C[O.]
HO5C5CHO CCCCC(O)C=O
HO5C5CO3 CCCCC(O)C(=O)O[O.]
C6PAN23 CCCCC(O)C(=O)OON(=O)=O
HO5C5CO3H CCCCC(O)C(=O)OO
HO5C6OOH CCCCC(O)COO
C93O2 CCCC(O)C(CC(=O)CC)O[O.]
C93O CCCC(O)C(CC(=O)CC)[O.]
C93NO3 CCCC(O)C(CC(=O)CC)ON(=O)=O
C93OOH CCCC(O)C(CC(=O)CC)OO
C93OH CCCC(O)C(CC(=O)CC)O
C93CO CCCC(O)C(=O)CC(=O)CC
CO36C9 CCC(=O)CCC(=O)CCC
C94O2 CCCC(=O)C(O[O.])CC(=O)CC
C94O CCCC(=O)C([O.])CC(=O)CC
C94OOH CCCC(=O)C(OO)CC(=O)CC
C94OH CCCC(=O)C(O)CC(=O)CC
CO356C9 CCCC(=O)C(=O)CC(=O)CC
C95O2 CCCC(=O)C(=O)C(O[O.])C(=O)CC
C95O CCCC(=O)C(=O)C([O.])C(=O)CC
C95OOH CCCC(=O)C(=O)C(OO)C(=O)CC
N-DECANE
NC10H22 CCCCCCCCCC
DECO2 CCC(CCCCCCC)O[O.]
DECO CCC(CCCCCCC)[O.]
DECNO3 CCC(CCCCCCC)ON(=O)=O
DECOOH CCC(CCCCCCC)OO
DECOH CCC(CCCCCCC)O
HO3C106O2 CCC(CCC(CCCC)O[O.])O
HO3C106O CCC(CCC(CCCC)[O.])O
HO3C106NO3 CCC(CCC(CCCC)ON(=O)=O)O
HO3C106OOH CCC(CCC(CCCC)OO)O
HO36C10 CCC(CCC(CCCC)O)O
DEC3ONE CCC(=O)CCCCCCC
C101O2 CCC(=O)CC(CCCCC)O[O.]
C101O CCC(=O)CC(CCCCC)[O.]
C101OOH CCC(=O)CC(CCCCC)OO
C102O2 CC(C(=O)CC(CCCCC)O)O[O.]
C102O CC(C(=O)CC(CCCCC)O)[O.]
C102OOH CC(C(=O)CC(CCCCC)O)OO
HO6C7CO3 CCCCCC(CC(=O)O[O.])O
HO6C7CO3H CCCCCC(CC(=O)OO)O
C8PAN1 CCCCCC(CC(=O)OON(=O)=O)O
HO6C7O2 CCCCCC(CO[O.])O
HO6C7O CCCCCC(C[O.])O
HO6C7OOH CCCCCC(COO)O
HO5CO8C10 CCC(=O)CCC(O)CCCC
C103O2 CCC(=O)CC(O[O.])C(O)CCCC
C103O CCC(=O)CC([O.])C(O)CCCC
C103NO3 CCC(=O)CC(C(O)CCCC)ON(=O)=O
C103OOH CCC(=O)CC(OO)C(O)CCCC
C103OH CCC(=O)CC(O)C(O)CCCC
C103CO CCC(=O)CC(=O)C(O)CCCC
CO36C10 CCC(=O)CCC(=O)CCCC
C104O2 CCC(=O)CC(O[O.])C(=O)CCCC
C104O CCC(=O)CC([O.])C(=O)CCCC
C104OOH CCC(=O)CC(OO)C(=O)CCCC
C104OH CCC(=O)CC(O)C(=O)CCCC
CO356C10 CCC(=O)CC(=O)C(=O)CCCC
C105O2 CCCCC(=O)C(=O)C(C(=O)CC)O[O.]
C105O CCCCC(=O)C(=O)C(C(=O)CC)[O.]
C105OOH CCCCC(=O)C(=O)C(OO)C(=O)CC
N-UNDECANE
NC11H24 CCCCCCCCCCC
UDECO2 CCC(CCCCCCCC)O[O.]
UDECO CCC(CCCCCCCC)[O.]
UDECNO3 CCC(CCCCCCCC)ON(=O)=O
UDECOOH CCC(CCCCCCCC)OO
UDECOH CCC(CCCCCCCC)O
HO3C116O2 CCC(CCC(CCCCC)O[O.])O
HO3C116O CCC(CCC(CCCCC)[O.])O
HO3C116NO3 CCC(CCC(CCCCC)ON(=O)=O)O
HO3C116OOH CCC(CCC(CCCCC)OO)O
HO36C11 CCC(CCC(CCCCC)O)O
UDEC3ONE CCC(=O)CCCCCCCC
C111O2 CCC(=O)CC(CCCCCC)O[O.]
C111O CCC(=O)CC(CCCCCC)[O.]
C111OOH CCC(=O)CC(CCCCCC)OO
C112O2 CC(C(=O)CC(CCCCCC)O)O[O.]
C112O CC(C(=O)CC(CCCCCC)O)[O.]
C112OOH CC(C(=O)CC(CCCCCC)O)OO
HO7C8CO3 CCCCCCC(CC(=O)O[O.])O
HO7C8CO3H CCCCCCC(CC(=O)OO)O
C9PAN1 CCCCCCC(CC(=O)OON(=O)=O)O
HO7C8O2 CCCCCCC(CO[O.])O
HO7C8O CCCCCCC(C[O.])O
HO7C8OOH CCCCCCC(COO)O
HO6CO9C11 CCC(=O)CCC(CCCCC)O
C113O2 CCC(=O)CC(C(CCCCC)O)O[O.]
C113O CCC(=O)CC(C(CCCCC)O)[O.]
C113NO3 CCC(=O)CC(C(CCCCC)O)ON(=O)=O
C113OOH CCC(=O)CC(C(CCCCC)O)OO
C113OH CCC(=O)CC(C(CCCCC)O)O
C113CO CCC(=O)CC(=O)C(CCCCC)O
CO36C11 CCC(=O)CCC(=O)CCCCC
C114O2 CCC(=O)CC(C(=O)CCCCC)O[O.]
C114O CCC(=O)CC(C(=O)CCCCC)[O.]
C114OOH CCC(=O)CC(C(=O)CCCCC)OO
C114OH CCC(=O)CC(C(=O)CCCCC)O
CO356C11 CCC(=O)CC(=O)C(=O)CCCCC
C115O2 CCC(=O)C(C(=O)C(=O)CCCCC)O[O.]
C115O CCC(=O)C(C(=O)C(=O)CCCCC)[O.]
C115OOH CCC(=O)C(C(=O)C(=O)CCCCC)OO
N-DODECANE
NC12H26 CCCCCCCCCCCC
DDECO2 CCC(CCCCCCCCC)O[O.]
DDECO CCC(CCCCCCCCC)[O.]
DDECNO3 CCC(CCCCCCCCC)ON(=O)=O
DDECOOH CCC(CCCCCCCCC)OO
DDECOH CCC(CCCCCCCCC)O
HO3C126O2 CCC(CCC(CCCCCC)O[O.])O
HO3C126O CCC(CCC(CCCCCC)[O.])O
HO3C126NO3 CCC(CCC(CCCCCC)ON(=O)=O)O
HO3C126OOH CCC(CCC(CCCCCC)OO)O
HO36C12 CCC(CCC(CCCCCC)O)O
DDEC3ONE CCC(=O)CCCCCCCCC
C121O2 CCC(=O)CC(CCCCCCC)O[O.]
C121O CCC(=O)CC(CCCCCCC)[O.]
C121OOH CCC(=O)CC(CCCCCCC)OO
C122O2 CC(C(=O)CC(CCCCCCC)O)O[O.]
C122O CC(C(=O)CC(CCCCCCC)O)[O.]
C122OOH CC(C(=O)CC(CCCCCCC)O)OO
HO8C9CO3 C(CCCCC(CC(=O)O[O.])O)CC
HO8C9CO3H C(CCCCC(CC(=O)OO)O)CC
C10PAN1 C(CCCCC(CC(=O)OON(=O)=O)O)CC
HO8C9O2 CCCCCCCC(CO[O.])O
HO8C9O CCCCCCCC(C[O.])O
HO8C9OOH CCCCCCCC(COO)O
HO7CO10C12 CCC(=O)CCC(CCCCCC)O
C123O2 CCC(=O)CC(C(CCCCCC)O)O[O.]
C123O CCC(=O)CC(C(CCCCCC)O)[O.]
C123NO3 CCC(=O)CC(C(CCCCCC)O)ON(=O)=O
C123OOH CCC(=O)CC(C(CCCCCC)O)OO
C123OH CCC(=O)CC(C(CCCCCC)O)O
C123CO CCC(=O)CC(=O)C(CCCCCC)O
CO36C12 CCC(=O)CCC(=O)CCCCCC
C124O2 CCC(=O)CC(C(=O)CCCCCC)O[O.]
C124O CCC(=O)CC(C(=O)CCCCCC)[O.]
C124OOH CCC(=O)CC(C(=O)CCCCCC)OO
C124OH CCC(=O)CC(C(=O)CCCCCC)O
CO356C12 CCC(=O)CC(=O)C(=O)CCCCCC
C125O2 CCC(=O)C(C(=O)C(=O)CCCCCC)O[O.]
C125O CCC(=O)C(C(=O)C(=O)CCCCCC)[O.]
C125OOH CCC(=O)C(C(=O)C(=O)CCCCCC)OO
C6H13CHO CCCCCCC=O
C6H13CO3 CCCCCCC(=O)O[O.]
C6H13CO3H CCCCCCC(=O)OO
C6H13CO2H CCCCCCC(=O)O
PHPTN CCCCCCC(=O)OON(=O)=O
ALKENES
ETHENE
C2H4 C=C
HOCH2CH2O2 OCCO[O.]
HOCH2CH2O OCC[O.]
HOCH2CHO C(O)C=O
HYETHO2H OOCCO
HOCH2CO3 O(C(=O)CO)[O.]
PHAN C(=O)(OON(=O)=O)CO
HOCH2CO3H OCC(=O)OO
HOCH2CO2H OCC(=O)O
CH2OO [C.]O[O.]
ETHENO3O2 C(O[O.])CON(=O)=O
ETHENO3O N(=O)(=O)OCC[O.]
NO3CH2CHO HC(=O)CON(=O)=O
ETHO2HNO3 OOCCON(=O)=O
ETHOHNO3 OCCON(=O)=O
NO3CH2CO3 C(ON(=O)=O)C(=O)O[O.]
NO3CH2CO2 C(ON(=O)=O)C(=O)[O.]
NO3CH2PAN C(ON(=O)=O)C(=O)OON(=O)=O
NO3CH2CO3H C(ON(=O)=O)C(=O)OO
NO3CH2CO2H C(ON(=O)=O)C(=O)O
PROPENE
C3H6 CC=C
HYPROPO2 CC(O[O.])CO
HYPROPO CC([O.])CO
HYPROPO2H CC(OO)CO
ACETOL CC(=O)CO
CH3CHOO C[C.]O[O.]
MGLYOX CC(=O)C=O
CH3CO3 O=C(C)O[O.]
PRONO3AO2 CC(ON(=O)=O)CO[O.]
PRONO3AO N(=O)(=O)OC(C)C[O.]
CHOPRNO3 O=CC(ON(=O)=O)C
PRONO3BO2 CC(CON(=O)=O)O[O.]
PRONO3BO N(=O)(=O)OCC(C)[O.]
NOA O=C(C)CON(=O)=O
PROPOLNO3 OCC(C)ON(=O)=O
PROLNO3 CC(CON(=O)=O)O
PR1O2HNO3 OOCC(C)ON(=O)=O
PR2O2HNO3 OOC(C)CON(=O)=O
PRNO3CO3 CC(ON(=O)=O)C(=O)O[O.]
PRNO3CO2 CC(ON(=O)=O)C(=O)[O.]
PRNO3PAN CC(ON(=O)=O)C(=O)OON(=O)=O
PRNO3CO3H CC(ON(=O)=O)C(=O)OO
PRNO3CO2H CC(ON(=O)=O)C(=O)O
METHYL PROPENE
MEPROPENE CC(=C)C
CH3CCH3OO C[C.](O[O.])C
MPRANO3O2 C(ON(=O)=O)C(C)(C)O[O.]
MPRBNO3O2 CC(C)(ON(=O)=O)CO[O.]
MPRANO3O C(ON(=O)=O)C(C)(C)[O.]
MPRANO3OOH C(ON(=O)=O)C(C)(C)OO
MPRBNO3O CC(C)(ON(=O)=O)C[O.]
MPRBNO3OOH CC(C)(ON(=O)=O)COO
MPRBNO3CHO CC(C)(ON(=O)=O)C=O
M2PROPAL2O C(C)(C)(C=O)[O.]
MPRBNO3CO3 CC(C)(ON(=O)=O)C(=O)O[O.]
MPRBNO3CO2 CC(C)(ON(=O)=O)C(=O)[O.]
MPRBNO3PAN CC(C)(ON(=O)=O)C(=O)OON(=O)=O
MPRNO3CO3H CC(C)(ON(=O)=O)C(=O)OO
MPRNO3CO2H CC(C)(ON(=O)=O)C(=O)O
1-BUTENE
BUT1ENE C=CCC
HO3C4O CCC(O)C[O.]
HO3C4NO3 CCC(O)CON(=O)=O
HO3C4OOH CCC(O)COO
HO3C3CHO CCC(O)C=O
HO3C3CO3 CCC(O)C(=O)O[O.]
HO3C3CO2 CCC(O)C(=O)[O.]
HO3C3PAN CCC(O)C(=O)OON(=O)=O
HO3C3CO3H CCC(O)C(=O)OO
C2H5CHOO CC[C.]O[O.]
BU1ENO3O C(ON(=O)=O)C(CC)[O.]
BU1ENO3O2 C(ON(=O)=O)C(CC)O[O.]
BU1ENO3OOH C(ON(=O)=O)C(CC)OO
CO3C4NO3 C(ON(=O)=O)C(=O)CC
CO3C4NO3O2 C(ON(=O)=O)C(=O)C(C)O[O.]
CO3C4NO3O C(ON(=O)=O)C(=O)C(C)[O.]
COC4NO3OOH C(ON(=O)=O)C(=O)C(C)OO
CO23C4NO3 C(ON(=O)=O)C(=O)C(=O)C
CO3C4NO3OH C(ON(=O)=O)C(=O)C(C)O
2-BUTENE
BUT2ENE CC=CC
C42NO33O2 CC(ON(=O)=O)C(C)O[O.]
C42NO33O CC(ON(=O)=O)C(C)[O.]
C42NO33OOH CC(ON(=O)=O)C(C)OO
1-PENTENE
PENT1ENE C=CCCC
PE1ENEAO2 OCC(CCC)O[O.]
PE1ENEBO2 CCCC(O)CO[O.]
PE1ENEAO OCC(CCC)[O.]
PE1ENEANO3 OCC(CCC)ON(=O)=O
C51OH2OOH OCC(CCC)OO
C51OH2CO OCC(=O)CCC
C512OH OCC(O)CCC
PE1ENEBO CCCC(O)C[O.]
PE1ENEBNO3 CCCC(O)CON(=O)=O
C52OH1OOH CCCC(O)COO
C4OHCHO CCCC(O)C=O
C5OH2CO4O2 OCC(=O)CC(C)O[O.]
C5OH2CO4O OCC(=O)CC(C)[O.]
C5OHCO4OOH OCC(=O)CC(C)OO
C4OHCO3 CCCC(O)C(=O)O[O.]
C4OHCO2 CCCC(O)C(=O)[O.]
C4OHPAN CCCC(O)C(=O)OON(=O)=O
C4OHCO3H CCCC(O)C(=O)OO
C3H7CHOO CCC[C.]O[O.]
C51NO32O2 C(ON(=O)=O)C(CCC)O[O.]
C52NO31O2 C(CCC)(ON(=O)=O)CO[O.]
C51NO32O C(ON(=O)=O)C(CCC)[O.]
C51NO32OOH C(ON(=O)=O)C(CCC)OO
C51NO32CO C(ON(=O)=O)C(=O)CCC
C52NO31O C(CCC)(ON(=O)=O)C[O.]
C52NO31OOH C(CCC)(ON(=O)=O)COO
C52NO31CO C(CCC)(ON(=O)=O)C=O
C5NO3COAO2 C(ON(=O)=O)C(=O)CC(C)O[O.]
C5NO3COAO C(ON(=O)=O)C(=O)CC(C)[O.]
C5NO3OAOOH C(ON(=O)=O)C(=O)CC(C)OO
C51NO324CO C(ON(=O)=O)C(=O)CC(=O)C
C5NO3CO4OH C(ON(=O)=O)C(=O)CC(C)O
C5CO24O CC(=O)CC(=O)C[O.]
C4CHO2O C(CCC)([O.])C=O
C4NO3CO3 O=C(O[O.])C(ON(=O)=O)CCC
C4NO3CO2 O=C([O.])C(ON(=O)=O)CCC
C4NO3PAN O=C(OON(=O)=O)C(CCC)ON(=O)=O
C4NO3CO3H O=C(OO)C(ON(=O)=O)CCC
C4NO3CO2H O=C(O)C(ON(=O)=O)CCC
HO12C54O2 OCC(O)CC(C)O[O.]
HO12C54O OCC(O)CC(C)[O.]
2-PENTENE
PENT2ENE CC=CCC
PE2ENEAO2 CC(O)C(CC)O[O.]
PE2ENEBO2 CCC(O)C(C)O[O.]
PE2ENEAO CC(O)C(CC)[O.]
PE2ENEANO3 CC(O)C(CC)ON(=O)=O
C52OH3OOH CC(O)C(CC)OO
C523OH CC(O)C(O)CC
PE2ENEBO CCC(O)C(C)[O.]
PE2ENEBNO3 CCC(O)C(C)ON(=O)=O
C53OH2OOH CCC(O)C(C)OO
C52NO33O2 CC(ON(=O)=O)C(CC)O[O.]
C53NO32O2 CCC(ON(=O)=O)C(C)O[O.]
C52NO33O CC(ON(=O)=O)C(CC)[O.]
C52NO33OOH CC(ON(=O)=O)C(CC)OO
C52NO33CO CC(ON(=O)=O)C(=O)CC
C53NO32O CCC(ON(=O)=O)C(C)[O.]
C53NO32OOH CCC(ON(=O)=O)C(C)OO
C53NO32CO CCC(ON(=O)=O)C(=O)C
C5NO3CO4O2 CC(ON(=O)=O)C(=O)C(C)O[O.]
C5NO3CO4O CC(ON(=O)=O)C(=O)C(C)[O.]
C5NO3O4OOH CC(ON(=O)=O)C(=O)C(C)OO
C5CONO34O2 CC(=O)C(ON(=O)=O)C(C)O[O.]
C5CONO34O CC(=O)C(ON(=O)=O)C(C)[O.]
C5ONO34OOH CC(=O)C(ON(=O)=O)C(C)OO
C53NO324CO CC(=O)C(ON(=O)=O)C(=O)C
2-METHYL 1-BUTENE
ME2BUT1ENE C=C(C)CC
M2BUOL2O2 OCC(C)(CC)O[O.]
PROL11MO2 CCC(C)(O)CO[O.]
M2BUOL2O CCC(C)(CO)[O.]
M2BUOL2NO3 CCC(C)(CO)ON(=O)=O
M2BUOL2OOH CCC(C)(CO)OO
M2BUOL2OH CCC(C)(CO)O
PROL11MO CCC(C)(O)C[O.]
PROL11MNO3 CCC(O)(C)CON(=O)=O
PROL11MOOH CCC(O)(C)COO
PROL1MCHO CCC(O)(C)C=O
PROL1MCO3 CCC(O)(C)C(=O)O[O.]
PROL1MCO2 CCC(O)(C)C(=O)[O.]
PROL1MPAN CCC(O)(C)C(=O)OON(=O)=O
PROL1MCO3H CCC(O)(C)C(=O)OO
C2H5MECOO CC[C.](C)O[O.]
C4NO32M2O2 C(ON(=O)=O)C(C)(CC)O[O.]
C4NO32M1O2 CCC(C)(ON(=O)=O)CO[O.]
C4NO32M2O CCC(C)(CON(=O)=O)[O.]
C4NO32MOOH CCC(C)(CON(=O)=O)OO
C4NO32M1O CCC(C)(ON(=O)=O)C[O.]
C4NO3M1OOH CCC(C)(ON(=O)=O)COO
C4NO3CHO CCC(C)(ON(=O)=O)C=O
C42CHO2O CCC(C)(C=O)[O.]
C43NO3CO3 CCC(C)(ON(=O)=O)C(=O)O[O.]
C43NO3CO2 CCC(C)(ON(=O)=O)C(=O)[O.]
C43NO3PAN CCC(C)(ON(=O)=O)C(=O)OON(=O)=O
C43NO3CO3H CCC(C)(ON(=O)=O)C(=O)OO
C43NO3CO2H CCC(C)(ON(=O)=O)C(=O)O
3-METHYL 1-BUTENE
ME3BUT1ENE C=CC(C)C
ME3BU2OLO2 C(O[O.])C(O)C(C)C
ME3BU2OLO C([O.])C(O)C(C)C
M3BU2OLNO3 C(ON(=O)=O)C(O)C(C)C
M3BU2OLOOH C(OO)C(O)C(C)C
C3M3OH2CHO O=CC(O)C(C)C
C3M3OH2CO3 CC(C)C(O)C(=O)O[O.]
C3M3OH2CO2 CC(C)C(O)C(=O)[O.]
C3M3OH2PAN CC(C)C(O)C(=O)OON(=O)=O
C3M3OHCO3H CC(C)C(O)C(=O)OO
C4M3NO31O2 C(ON(=O)=O)C(O[O.])C(C)C
C4M3NO32O2 C(O[O.])C(ON(=O)=O)C(C)C
C4M3NO31O C(ON(=O)=O)C([O.])C(C)C
C4MNO31OOH C(ON(=O)=O)C(OO)C(C)C
C4M3NO3ONE C(ON(=O)=O)C(=O)C(C)C
C4M3NO32O C([O.])C(ON(=O)=O)C(C)C
C4MNO32OOH C(OO)C(ON(=O)=O)C(C)C
C3MNO3CHO O=CC(ON(=O)=O)C(C)C
C4MCONO3O2 C(ON(=O)=O)C(=O)C(O[O.])(C)C
C4MCONO3O C(ON(=O)=O)C(=O)C(C)([O.])C
C5CONO3OOH C(ON(=O)=O)C(=O)C(OO)(C)C
C4MCONO3OH C(ON(=O)=O)C(=O)C(O)(C)C
C3MNO3CO3 O=C(O[O.])C(ON(=O)=O)C(C)C
C3MNO3CO2 O=C([O.])C(ON(=O)=O)C(C)C
C3MNO3PAN O=C(OON(=O)=O)C(ON(=O)=O)C(C)C
C3MNO3CO3H O=C(OO)C(ON(=O)=O)C(C)C
C3MNO3CO2H O=C(O)C(ON(=O)=O)C(C)C
IPRCHOO CC(C)[C.]O[O.]
IPRCOMO CC(C)C(=O)C[O.]
M3BUTAL2O CC(C)C(C=O)[O.]
2-METHYL 2-BUTENE
ME2BUT2ENE CC(=CC)C
ME2BUOLO2 CC(O)C(C)(C)O[O.]
ME2BU2OLO2 CC(C)(O)C(C)O[O.]
ME2BU2OLO CC(C)(O)C(C)[O.]
ME2BUOLO CC(O)C(C)(C)[O.]
ME2BUOLNO3 CC(O)C(C)(C)ON(=O)=O
ME2BUOLOOH CC(O)C(C)(C)OO
C4ME3HO23 CC(C)(O)C(O)C
M2BU2OLNO3 CC(C)(O)C(C)ON(=O)=O
M2BU2OLOOH CC(O)(C)C(C)OO
C4M2NO33O2 CC(C)(O[O.])C(C)ON(=O)=O
C4M2NO32O2 CC(C)(ON(=O)=O)C(C)O[O.]
C4M2NO33O CC(C)([O.])C(C)ON(=O)=O
C4M2NO3OOH CC(ON(=O)=O)C(C)(C)OO
C4M2NO32O CC([O.])C(C)(C)ON(=O)=O
C4NO3M2OOH CC(OO)C(C)(C)ON(=O)=O
C4M2NO3ONE CC(=O)C(C)(C)ON(=O)=O
MC4CONO3O2 CC(=O)C(C)(ON(=O)=O)CO[O.]
MC4CONO3O CC(=O)C(C)(C[O.])ON(=O)=O
C4MCNO3OOH CC(=O)C(C)(COO)ON(=O)=O
C4M22CONO3 CC(=O)C(C)(ON(=O)=O)C=O
C4M22COO CC(=O)C(C)(C=O)[O.]
1-HEXENE
HEX1ENE C=CCCCC
C6OH5O2 C(C)CCC(CO)O[O.]
C6OH5O C(C)CCC(CO)[O.]
C6OH5NO3 C(C)CCC(CO)ON(=O)=O
C6OH5OOH C(C)CCC(CO)OO
C4COMEOH CCCCC(=O)CO
C656OH CCCCC(O)CO
C4COMOH3O2 OCC(=O)CC(CC)O[O.]
C4COMOH3O OCC(=O)CC(CC)[O.]
C4COMOHOOH OCC(=O)CC(CC)OO
C4COMOH3OH OCC(=O)CC(O)CC
C43OHCOCHO CCC(O)CC(=O)C=O
NC4H9CHOO CCCC[C.]O[O.]
C65NO36O2 CCCCC(ON(=O)=O)CO[O.]
C66NO35O2 CCCCC(O[O.])CON(=O)=O
C65NO36O CCCCC(ON(=O)=O)C[O.]
C65NO36OOH CCCCC(ON(=O)=O)COO
C65NO36CHO CCCCC(ON(=O)=O)C=O
C66NO35O CCCCC(CON(=O)=O)[O.]
C66NO35OOH CCCCC(CON(=O)=O)OO
C66NO35OH CCCCC(CON(=O)=O)O
C66NO35CO CCCCC(=O)CON(=O)=O
HEXAL2O CCCCC(C=O)[O.]
C65NO36CO3 CCCCC(C(=O)O[O.])ON(=O)=O
C65NO36CO2 CCCCC(C(=O)[O.])ON(=O)=O
C65NO3PAN CCCCC(C(=O)OON(=O)=O)ON(=O)=O
C65NO3CO3H CCCCC(C(=O)OO)ON(=O)=O
C65NO3CO2H CCCCC(C(=O)O)ON(=O)=O
MBUKO CCCCC(=O)C[O.]
MNO3COC4O2 C(ON(=O)=O)C(=O)CC(CC)O[O.]
MNO3COC4O C(ON(=O)=O)C(=O)CC(CC)[O.]
C6NO3COOOH C(ON(=O)=O)C(=O)CC(CC)OO
C6NO324CO C(ON(=O)=O)C(=O)CC(=O)CC
C6NO3CO4OH C(ON(=O)=O)C(=O)CC(CC)O
C6CO24O CCC(=O)CC(=O)C[O.]
C3NO3COO2 C(ON(=O)=O)C(=O)CO[O.]
C3NO3COO C(ON(=O)=O)C(=O)C[O.]
C3NO3COOOH C(ON(=O)=O)C(=O)COO
2-HEXENE
HEX2ENE CC=CCCC
C65OH4O2 CC(O)C(CCC)O[O.]
C64OH5O2 CCCC(O)C(C)O[O.]
C65OH4O CCCC([O.])C(O)C
C65OH4NO3 CC(O)C(CCC)ON(=O)=O
C65OH4OOH CC(O)C(OO)CCC
C645OH CCCC(O)C(O)C
C64OH5O CCCC(O)C(C)[O.]
C64OH5NO3 CCCC(O)C(C)ON(=O)=O
C64OH5OOH CCCC(O)C(OO)C
C62NO33O2 CCCC(O[O.])C(C)ON(=O)=O
C63NO32O2 CC(O[O.])C(CCC)ON(=O)=O
C62NO33O CCCC([O.])C(C)ON(=O)=O
C62NO33OOH CCCC(OO)C(C)ON(=O)=O
C62NO33CO CCCC(=O)C(C)ON(=O)=O
C63NO32O CC([O.])C(CCC)ON(=O)=O
C63NO32OOH CC(OO)C(CCC)ON(=O)=O
C63NO32CO CC(=O)C(CCC)ON(=O)=O
C6NO3CO5O2 CC(O[O.])CC(=O)C(C)ON(=O)=O
C6NO3CO5O CC([O.])CC(=O)C(C)ON(=O)=O
C6CONO3OOH CC(OO)CC(=O)C(C)ON(=O)=O
C62NO335CO CC(=O)CC(=O)C(C)ON(=O)=O
C6NO3CO5OH CC(O)CC(=O)C(C)ON(=O)=O
C6CONO34O2 CC(=O)C(ON(=O)=O)C(CC)O[O.]
C6CONO34O CC(=O)C(ON(=O)=O)C(CC)[O.]
CONO3C6OOH CC(=O)C(ON(=O)=O)C(CC)OO
CO234C6 CC(=O)C(=O)C(=O)CC
C6CONO34OH CC(=O)C(ON(=O)=O)C(CC)O
C64NO335CO CC(=O)C(ON(=O)=O)C(=O)CC
C635CO4O CC(=O)C([O.])C(=O)CC
CO234C65O2 CC(=O)C(=O)C(=O)C(C)O[O.]
CO234C65O CC(=O)C(=O)C(=O)C(C)[O.]
CO234C6OOH CC(=O)C(=O)C(=O)C(C)OO
ALDEHYDES
METHANAL
HCHO C=O
ETHANAL
CH3CHO CC=O
PAN CC(=O)OON(=O)=O
CH3CO3H CC(=O)OO
PROPANAL
C2H5CHO CCC=O
C2H5CO3 O(C(=O)CC)[O.]
PPN C(C(=O)OON(=O)=O)C
PERPROACID CCC(=O)OO
BUTANAL
C3H7CHO CCCC=O
C3H7CO3 O=C(O[O.])CCC
C3H7CO2 CCCC(=O)[O.]
PBN C(C(=O)OON(=O)=O)CC
PERBUACID CCCC(=O)OO
BUTACID CCCC(=O)O
BUTALO2 CC(O[O.])CC=O
BUTALO CC([O.])CC=O
HCOCH2O2 O=CCO[O.]
HCOCH2O [O.]CC=O
BUTALNO3 CC(ON(=O)=O)CC=O
BUTALO2H CC(OO)CC=O
HCOCH2OOH OOCC=O
METHYL PROPANAL
IPRCHO CC(C)C=O
IPRCO3 O(C(=O)C(C)C)[O.]
PIPN O=C(C(C)C)OON(=O)=O
PERIBUACID CC(C)C(=O)OO
IBUTACID CC(C)C(=O)O
IBUTALBO2 C(CO[O.])(C)C=O
IBUTALCO2 CC(C)(O[O.])C=O
IBUTALO2H CC(C)(OO)C=O
IBUTALBO C(C[O.])(C)C=O
IBUALANO3 O(CC(C)C=O)N(=O)=O
IBUTALBO2H OOCC(C)C=O
IBUTDIAL C(=O)C(C)C=O
PROPALO2 O=CC(C)O[O.]
IBUDIALCO3 O=CC(C)C(=O)O[O.]
IBUDIALCO2 O=CC(C)C(=O)[O.]
IBUDIALPAN O=CC(C)C(=O)OON(=O)=O
PRPAL2CO3H O=CC(C)C(=O)OO
PRPAL2CO2H O=CC(C)C(=O)O
PROPALO O=CC(C)[O.]
PROPALOOH O=CC(C)OO
PENTANAL
C4H9CHO CCCCC=O
C4H9CO3 O=C(O[O.])CCCC
PPEN CCCCC(=O)OON(=O)=O
PERPENACID CCCCC(=O)OO
PENTACID CCCCC(=O)O
C4CHOBO2 CCC(O[O.])CC=O
C4H9CO2 CCCCC(=O)[O.]
C4CHOBO CCC([O.])CC=O
C4CHOBNO3 CCC(ON(=O)=O)CC=O
C4CHOBOOH CCC(OO)CC=O
ALCOHOLS
METHANOL
CH3OH CO
ETHANOL
C2H5OH CCO
N-PROPANOL
NPROPOL CCCO
2-PROPANOL
IPROPOL CC(O)C
IPROPOLO2 OC(C)CO[O.]
IPROPOLO2H CC(O)COO
CH3CHOHCHO CC(O)C=O
CH3CHOHCO3 O(C(=O)C(O)C)[O.]
IPROPOLPAN OC(C(=O)OON(=O)=O)C
IPROPOLPER CC(O)C(=O)OO
IPROPOLO CC(O)C[O.]
CH3CHOHCO2 CC(O)C(=O)[O.]
PROPYLENE GLYCOL
PROPGLY CC(O)CO
ETHYLENE GLYCOL
ETHGLY OCCO
2-BUTANOL
BUT2OL CCC(O)C
BUT2OLO2 OC(C)C(O[O.])C
BUT2OLNO3 OC(C)C(C)ON(=O)=O
BUT2OLOOH CC(OO)C(O)C
BUT2OLO CC(=O)C(O)C
BUT2OLOH CC(O)C(O)C
BUTONENO3 O=C(C)C(C)ON(=O)=O
BIACET CC(=O)C(=O)C
BUT2OLAO CC([O.])C(O)C
T-BUTANOL
TBUTOL CC(O)(C)C
TBUTOLO2 OC(C)(C)CO[O.]
TBUTOLOOH CC(O)(C)COO
TBUTOLO CC(C)(O)C[O.]
TBUTOLNO3 CC(O)(C)CON(=O)=O
I-BUTANOL
IBUTOL CC(C)CO
IBUTOLBO2 CC(O[O.])(C)CO
IBUTOLCO2 OCC(C)CO[O.]
IBUTOLCO OCC(C)C[O.]
HOIPRCHO O=CC(C)CO
IBUTOLBNO3 C(CO)(C)(C)ON(=O)=O
IBUTOLCNO3 C(C(C)CO)ON(=O)=O
IBUTOLBO2H CC(C)(OO)CO
IBUTOLCO2H OOCC(C)CO
IBUTOLOHB CC(C)(O)CO
IBUTOLOHC OCC(C)CO
IBUTALOH CC(C)(O)C=O
IPRHOCO3 O(C(=O)C(C)(O)C)[O.]
C4PAN5 CC(C)(C(=O)OON(=O)=O)O
IPRHOCO3H CC(C)(O)C(=O)OO
IBUTOLBO OCC(C)(C)[O.]
IBUOHCOO OC(C)(C)C(=O)[O.]
N-BUTANOL
NBUTOL CCCCO
NBUTOLAO2 CCC(CO)O[O.]
NBUTOLBO2 OCCC(C)O[O.]
NBUTOLAO CCC(CO)[O.]
NBUTOLANO3 OCC(CC)ON(=O)=O
NBUTOLAOOH OCC(CC)OO
NBUTOLAOH OCC(O)CC
NBUTOLBO OCCC(C)[O.]
NBUTOLBNO3 OCCC(C)ON(=O)=O
NBUTOLBOOH OCCC(C)OO
3-METHYL-1-BUTANOL
ME3BUOL CC(C)CCO
C3ME3CHO CC(C)CC=O
ME3BUOLO2 OCC(O[O.])C(C)C
ME3BUOLO OCC([O.])C(C)C
ME3BUOLNO3 OCC(ON(=O)=O)C(C)C
ME3BUOLOOH OCC(OO)C(C)C
ME3CO2BUOL OCC(=O)C(C)C
C4ME3HO12 OCC(O)C(C)C
C3ME3CO3 CC(C)CC(=O)O[O.]
C3ME3CHOO2 CC(C)(O[O.])CC=O
C3ME3PAN CC(C)CC(=O)OON(=O)=O
C3ME3CO2 CC(C)CC(=O)[O.]
C3ME3CO3H CC(C)CC(=O)OO
C3ME3CO2H CC(C)CC(=O)O
C3ME3CHOO CC(C)([O.])CC=O
C3M3CHONO3 CC(C)(ON(=O)=O)CC=O
C3M3CHOOOH CC(C)(OO)CC=O
ESTERS
METHYL ACETATE
METHACET CC(=O)OC
METHACETO2 CC(=O)OCO[O.]
METACETOOH CC(=O)OCOO
METACETHO CC(=O)OC=O
METACETOH CC(=O)OCO
METHACETO CC(=O)OC[O.]
METACETNO3 CC(=O)OCON(=O)=O
ETHYL ACETATE
ETHACET CC(=O)OCC
ETHACETO2 CC(OC(=O)C)O[O.]
ETACETNO3 CC(=O)OC(C)ON(=O)=O
ETHACETOOH CC(=O)OC(OO)C
METHCOACET CC(=O)OC(=O)C
ETHACETOH CC(=O)OC(O)C
MECOACETO2 CC(=O)OC(=O)CO[O.]
MECOACEOOH CC(=O)OC(=O)COO
ETHACETO CC(=O)OC(C)[O.]
MECOACETO CC(=O)OC(=O)C[O.]
ACEC2H4NO3 C(ON(=O)=O)COC(=O)C
N-PROPYL ACETATE
NPROACET CC(=O)OCCC
NPROACEAO2 CC(=O)OCC(C)O[O.]
NPROACEBO2 CC(=O)OC(CC)O[O.]
NPROACEAO CC(=O)OCC(C)[O.]
NPRACANO3 CC(=O)OCC(C)ON(=O)=O
NPRACAOOH CC(=O)OCC(C)OO
ACEPROPONE CC(=O)OCC(=O)C
NPRACAOH CC(=O)OCC(O)C
NPROACEBO CC(=O)OC([O.])CC
NPRACBNO3 CC(=O)OC(CC)ON(=O)=O
NPRACBOOH CC(=O)OC(CC)OO
ACETCOC2H5 CC(=O)OC(=O)CC
NPRACBOH CC(=O)OC(O)CC
ACPRONEO2 CC(=O)OC(O[O.])C(=O)C
ACPRONEOOH CC(=O)OC(OO)C(=O)C
ACECOCOCH3 CC(=O)OC(=O)C(=O)C
ACPRONEOH CC(=O)OC(O)C(=O)C
ACCOETO2 CC(=O)OC(=O)CCO[O.]
ACCOETOOH CC(=O)OC(=O)CCOO
ACCOCOMEO2 CC(=O)OC(=O)C(=O)CO[O.]
ACCOCOMOOH CC(=O)OC(=O)C(=O)COO
ACCOETO CC(=O)OC(=O)CC[O.]
ACCOMECHO CC(=O)OC(=O)CC=O
ACCOMECO3 CC(=O)OC(=O)CC(=O)O[O.]
ACCOMEPAN CC(=O)OC(=O)CC(=O)OON(=O)=O
ACCOMECO3H CC(=O)OC(=O)CC(=O)OO
NPROACECO2 CC(=O)OCCCO[O.]
NPROACECO CC(=O)OCCC[O.]
NPRACCNO3 CC(=O)OCCCON(=O)=O
NPRACCOOH CC(=O)OCCCOO
ACEC2CHO CC(=O)OCCC=O
NPRACCOH CC(=O)OCCCO
ACPRONEO CC(=O)OC([O.])C(=O)C
ACCOMECO2 CC(=O)OC(=O)CC(=O)[O.]
ACETC2CO3 CC(=O)OCCC(=O)O[O.]
ACETC2CO2 CC(=O)OCCC(=O)[O.]
ACETC2PAN CC(=O)OCCC(=O)OON(=O)=O
ACETC2CO3H CC(=O)OCCC(=O)OO
ACETC2CO2H CC(=O)OCCC(=O)O
ACCOCOMEO CC(=O)OC(=O)C(=O)C[O.]
I-PROPYL ACETATE
IPROACET CC(=O)OC(C)C
IPROACETO2 CC(=O)OC(C)(C)O[O.]
IPRACNO3 CC(=O)OC(C)(C)ON(=O)=O
IPRACOOH CC(=O)OC(C)(C)OO
IPRACOH CC(=O)OC(C)(C)O
IPRACBO2 CC(=O)OC(C)CO[O.]
IPROACETO CC(=O)OC(C)(C)[O.]
IPRACBO CC(=O)OC(C)C[O.]
IPRACBNO3 CC(=O)OC(C)CON(=O)=O
IPRACBOOH CC(=O)OC(C)COO
IPRACBCHO CC(=O)OC(C)C=O
IPRACBOH CC(=O)OC(C)CO
IPRACBPAN CC(=O)OC(C)C(=O)OON(=O)=O
IPRACBCO3H CC(=O)OC(C)C(=O)OO
IPRACBCO3 CC(=O)OC(C)C(=O)O[O.]
IPRACBCO2 CC(=O)OC(C)C(=O)[O.]
IPRACBCO2H CC(=O)OC(C)C(=O)O
S-BUTYL ACETATE
SBUTACET CC(=O)OC(C)CC
SBUACETAO2 CC(=O)OC(C)(CC)O[O.]
SBUACETBO2 CC(=O)OC(C)C(O[O.])C
SBUACANO3 CC(=O)OC(C)(CC)ON(=O)=O
SBUACAOOH CC(=O)OC(C)(CC)OO
SBUACAOH CC(=O)OC(C)(O)CC
SBUACETAO CC(=O)OC(C)(CC)[O.]
SBUACETBO CC(=O)OC(C)C(C)[O.]
SBUACBNO3 CC(=O)OC(C)C(C)ON(=O)=O
SBUACBOOH CC(=O)OC(C)C(OO)C
SBUACEONE CC(=O)OC(C)C(=O)C
SBUACBOH CC(=O)OC(C)C(O)C
SBUACONEO2 CC(=O)OC(C)(O[O.])C(=O)C
SBUACCOOH CC(=O)OC(C)(OO)C(=O)C
SBUACONEO CC(=O)OC(C)([O.])C(=O)C
SBUACCOH CC(=O)OC(C)(O)C(=O)C
N-BUTYL ACETATE
NBUTACET CC(=O)OCCCC
NBUACETAO2 CC(=O)OCCC(C)O[O.]
NBUACETBO2 CC(=O)OCC(CC)O[O.]
NBUACETCO2 CC(=O)OC(O[O.])CCC
NBUACETAO CC(=O)OCCC(C)[O.]
NBUACANO3 CC(=O)OCCC(C)ON(=O)=O
NBUACAOOH CC(=O)OCCC(C)OO
ACEBUTONE CC(=O)OCCC(=O)C
NBUACAOH CC(=O)OCCC(C)O
ACETC2H4O2 C(O[O.])COC(=O)C
ACETC2H4O CC(=O)OCC[O.]
NBUACETBO CC(=O)OCC([O.])CC
NBUACBNO3 CC(=O)OCC(CC)ON(=O)=O
NBUACBOOH CC(=O)OCC(CC)OO
ACEBUTBONE CC(=O)OCC(=O)CC
NBUACBOH CC(=O)OCC(O)CC
NBUACETCO CC(=O)OC([O.])CCC
NBUACCNO3 CC(=O)OC(CCC)ON(=O)=O
NBUACCOOH CC(=O)OC(OO)CCC
ACETCOC3H7 CC(=O)OC(=O)CCC
NBUACCOH CC(=O)OC(O)CCC
ACBUONEAO2 CC(=O)OC(O[O.])CC(=O)C
ACBUOAOOH CC(=O)OC(OO)CC(=O)C
ACEC2H4OOH CC(=O)OCCOO
ACBUONEBO2 CC(=O)OC(O[O.])C(=O)CC
ACCOC3H6O2 CC(=O)OC(=O)CC(O[O.])C
ACCOC3H6O CC(=O)OC(=O)CC([O.])C
ACCOPROOH CC(=O)OC(=O)CC(OO)C
ACCOPRONE CC(=O)OC(=O)CC(=O)C
ACCOMCOMO2 CC(=O)OC(=O)CC(=O)CO[O.]
ACCOMCOMO CC(=O)OC(=O)CC(=O)C[O.]
ACOMCOMOOH CC(=O)OC(=O)CC(=O)COO
ACBUONEAO CC(=O)OC([O.])CC(=O)C
ACBUONANO3 CC(=O)OC(CC(=O)C)ON(=O)=O
ACBUONAOH CC(=O)CC(O)OC(=O)C
ACEETOHO2 CC(=O)OC(O)CO[O.]
ACEETOHO CC(=O)OC(O)C[O.]
ACEETOHOOH CC(=O)OC(O)COO
ACBUONEBO CCC(=O)C([O.])OC(=O)C
ACBUONBOOH CCC(=O)C(OO)OC(=O)C
ACCOCOC2H5 CC(=O)OC(=O)C(=O)CC
ACBUONBOH CC(=O)OC(O)C(=O)CC
ACCOCOETO2 CC(=O)OC(=O)C(=O)C(O[O.])C
ACCOCOETO CC([O.])C(=O)C(=O)OC(=O)C
ACCOCOEOOH CC(OO)C(=O)C(=O)OC(=O)C
T-BUTYL ACETATE
MCOOTBNO3 CC(=O)OC(C)(C)CON(=O)=O
TBUACCO CC(=O)OC(C)(C)C=O
TBUACCO3 CC(=O)OC(C)(C)C(=O)O[O.]
TBUACCO2 CC(=O)OC(C)(C)C(=O)[O.]
TBUACPAN CC(=O)OC(C)(C)C(=O)OON(=O)=O
TBUACCO3H CC(=O)OC(C)(C)C(=O)OO
TBUACOH CC(=O)OC(C)(C)CO
ETHERS
Di-ME ETHER
CH3OCH3 COC
CH3OCH2O2 COCO[O.]
CH3OCHO COC=O
CH3OCH2NO3 COCON(=O)=O
CH3OCH2O COC[O.]
CH3OCH2OOH COCOO
CH3OCH2OH COCO
CHOOCH2O2 C(O[O.])OC=O
CHOOCH2OOH OOCOC=O
CHOOCHO C(=O)OC=O
CHOOCH2OH OCOC=O
CHOOCH2O C(=O)OC[O.]
CHOOCH2NO3 C(ON(=O)=O)OC=O
Di-ETH ETHER
DIETETHER CCOCC
DIETETO2 CCOC(C)O[O.]
DIETETNO3 CCOC(C)ON(=O)=O
DIETETOOH CCOC(C)OO
DIETETOH CCOC(C)O
ETHFORM CCOC=O
ETHFORMO2 CC(O[O.])OC=O
ETHFORMNO3 O=COC(C)ON(=O)=O
ETHFORMOOH CC(OO)OC=O
ETHFORMOH CC(O)OC=O
DIETETO CCOC(C)[O.]
ETHFORMO O=COC(C)[O.]
DI-I-PROPYL ETHER
DIIPRETHER CC(C)OC(C)C
DIIPRETO2 CC(C)OC(C)(C)O[O.]
DIIPRETNO3 CC(C)OC(C)(C)ON(=O)=O
DIIPRETOOH CC(C)OC(C)(C)OO
DIIPRETOH CC(C)OC(C)(C)O
DIIPRETO CC(C)OC(C)(C)[O.]
METHYL T-BUTYL ETHER
MTBE COC(C)(C)C
MTBEAO2 CC(C)(C)OCO[O.]
MTBEBO2 COC(C)(C)CO[O.]
MTBEAO CC(C)(C)OC[O.]
MTBEANO3 CC(C)(C)OCON(=O)=O
MTBEAOOH CC(C)(C)OCOO
MTBEACHO CC(C)(C)OC=O
MTBEAOH CC(C)(C)OCO
MTBEBNO3 COC(C)(C)CON(=O)=O
MTBEBO COC(C)(C)C[O.]
MTBEBOOH COC(C)(C)COO
MTBEBCHO COC(C)(C)C=O
MTBEBOH COC(C)(C)CO
MTBEACHOO2 [O.]OCC(C)(C)OC=O
MTBEACHOO [O.]CC(C)(C)OC=O
MTBEAALNO3 N(=O)(=O)OCC(C)(C)OC=O
MTBEAALOOH OOCC(C)(C)OC=O
MTBEACHO13 O=CC(C)(C)OC=O
MTBEACHOHO OCC(C)(C)OC=O
MTBEBCO3 [O.]OC(=O)C(C)(C)OC
MTBEBCO2 [O.]C(=O)C(C)(C)OC
MTBEBPAN N(=O)(=O)OOC(=O)C(C)(C)OC
MTBEBCO3H OOC(=O)C(C)(C)OC
MTBEBCO2H OC(=O)C(C)(C)OC
IPRMEETO2 CC(C)(O[O.])OC
IPRMEETO COC(C)(C)[O.]
IPRMETOOH COC(C)(C)OO
IPRMEETOH COC(C)(C)O
IPRFORMO2 CC(C)(O[O.])OC=O
IPRFORMO CC(C)([O.])OC=O
IPRFORMOOH CC(C)(OO)OC=O
IPRFORMOH CC(C)(O)OC=O
MTBEAALCO3 O=COC(C)(C)C(=O)O[O.]
MTBEAALCO2 O=COC(C)(C)C(=O)[O.]
MTBEAALPAN O=COC(C)(C)C(=O)OON(=O)=O
MTBEALCO3H O=COC(C)(C)C(=O)OO
MTBEALCO2H O=COC(C)(C)C(=O)O
ETHYL T-BUTYL ETHER
ETBE CCOC(C)(C)C
ETBEAO2 CCOC(C)(C)CO[O.]
ETBEBO2 CC(O[O.])OC(C)(C)C
ETBEAO CCOC(C)(C)C[O.]
ETBEANO3 CCOC(C)(C)CON(=O)=O
ETBEAOOH CCOC(C)(C)COO
ETBEACHO CCOC(C)(C)C=O
ETBEAOH CCOC(C)(C)CO
ETBEBO CC([O.])OC(C)(C)C
ETBEBNO3 CC(ON(=O)=O)OC(C)(C)C
ETBEBOOH CC(OO)OC(C)(C)C
TBUACET CC(=O)OC(C)(C)C
ETBEBOH CC(O)OC(C)(C)C
EIPEO2 CCOC(C)(C)O[O.]
EIPEO CCOC(C)(C)[O.]
EIPEOOH CCOC(C)(C)OO
EIPEOH CCOC(C)(C)O
ETBEACO3 CCOC(C)(C)C(=O)O[O.]
ETBEACO2 CCOC(C)(C)C(=O)[O.]
ETBEAPAN CCOC(C)(C)C(=O)OON(=O)=O
ETBEACO3H CCOC(C)(C)C(=O)OO
MCOOTBO2 CC(=O)OC(C)(C)CO[O.]
MCOOTBO CC(=O)OC(C)(C)C[O.]
MCOOTBOOH CC(=O)OC(C)(C)COO
2-METHOXY ETHANOL
MO2EOL OCCOC
MO2EOLAO2 OCC(OC)O[O.]
MEMOXYCHO COCC=O
MO2EOLBO2 OCCOCO[O.]
MO2EOLAOOH OCC(OO)OC
MOXCOCH2OH OCC(=O)OC
MO2EOLA2OH OCC(O)OC
ETOHOCHO OCCOC=O
MO2EOLBOOH OCCOCOO
MO2EOLB2OH OCCOCO
MEMOXYCO3 COCC(=O)O[O.]
MEMOXYCO2 COCC(=O)[O.]
MEMOXYPAN COCC(=O)OON(=O)=O
MEMOXYCO3H COCC(=O)OO
MEMOXYCO2H COCC(=O)O
MOXYCOCHO COC(=O)C=O
MOXY2CHO C(=O)COC=O
CHOCOMOXO2 C(=O)C(=O)OCO[O.]
ALCOMOXOOH C(=O)C(=O)OCOO
MO2EOLANO3 OCC(OC)ON(=O)=O
MO2EOLBNO3 OCCOCON(=O)=O
CHOOMCO3 O=COCC(=O)O[O.]
CHOOMCO2 O=COCC(=O)[O.]
CHOOMPAN O=COCC(=O)OON(=O)=O
CHOOMCO3H O=COCC(=O)OO
CHOOMCO2H O=COCC(O)O
MO2EOLAO OCC(OC)[O.]
MO2EOLBO OCCOC[O.]
CHOCOMOXO O=CC(=O)OC[O.]
2-ETHOXY ETHANOL
EOX2EOL OCCOCC
EOX2EOLAO2 OCC(O[O.])OCC
EOX2EOLBO2 OCCOC(C)O[O.]
EOX2ETCHO CCOCC=O
EOX2OLANO3 OCC(OCC)ON(=O)=O
EOX2OLAOOH OCC(OO)OCC
EOX2COMEOH OCC(=O)OCC
EOX2ETA2OH OCC(O)OCC
EOX2OLBNO3 OCCOC(C)ON(=O)=O
EOX2OLBOOH OCCOC(C)OO
ETACETOH OCCOC(=O)C
EOX2ETB2OH OCCOC(C)O
EOX2MECO3 CCOCC(=O)O[O.]
EOX2MECO2 CCOCC(=O)[O.]
ETOMEO2 CCOCO[O.]
ETOMEO CCOC[O.]
ETOMENO3 CCOCN(=O)=O
ETOMEOOH CCOCOO
ETOMEOH CCOCO
ETOMEPAN CCOCC(=O)OON(=O)=O
ETOMECO3H CCOCC(=O)OO
ETOMECO2H CCOCC(=O)O
ACETETCHO CC(=O)OCC=O
ACETMECO3 CC(=O)OCC(=O)O[O.]
ACETMECO2 CC(=O)OCC(=O)[O.]
ACETMECO3H CC(=O)OCC(=O)OO
ACETMEPAN CC(=O)OCC(=O)OON(=O)=O
HOACETETO2 OCC(=O)OC(C)O[O.]
HOACETETO OCC(=O)OC(C)[O.]
HOACETEOOH OCC(=O)OC(C)OO
EOX2EOLAO CCOC(CO)[O.]
EOX2EOLBO OCCOC(C)[O.]
2-BUTOXY ETHANOL
BUOX2ETOH OCCOCCCC
BOX2EOHAO2 OCCOC(O[O.])CCC
BOX2EOHBO2 OCC(O[O.])OCCCC
BOX2ECHO CCCCOCC=O
BOXEOHANO3 OCCOC(CCC)ON(=O)=O
BOX2OHAOOH CCCC(OO)OCCO
PRCOOETOH OCCOC(=O)CCC
BOXOHETOH OCCOC(O)CCC
BOXCHO C(C)CCOC=O
BOXEOHBNO3 OCC(ON(=O)=O)OCCCC
BOX2OHBOOH OCC(OO)OCCCC
BOX2COMOH OCC(=O)OCCCC
BOX2E2OH OCC(O)OCCCC
BOX2MO2 O(COCCCC)[O.]
BOXMCO3 CCCCOCC(=O)O[O.]
BOXMCO2 CCCCOCC(=O)[O.]
BOXMOOH O(COCCCC)O
BOXMOH CCCCOCO
BOXMPAN CCCCOCC(=O)OON(=O)=O
BOXMCO3H CCCCOCC(=O)OO
BOXMCO2H CCCCOCC(=O)O
PRCOOMCHO CCCC(=O)OCC=O
BOXCOCHO CCCCOC(=O)C=O
PRCOOMCO2 CCCC(=O)OCC(=O)[O.]
PRCOOMCO3 CCCC(=O)OCC(=O)O[O.]
PRCOOMO2 CCCC(=O)OCO[O.]
PRCOOMPAN CCCC(=O)OCC(=O)OON(=O)=O
PRCOOMCO3H CCCC(=O)OCC(=O)OO
BOXCOCHOO2 CCCC(OC(=O)C=O)O[O.]
BOXCOALOOH CCCC(OO)OC(=O)C=O
PRCOOMOOH CCCC(=O)OCOO
BOXFORMO2 CCCC(O[O.])OC=O
BOXCOCHOO CCCC([O.])OC(=O)C=O
BOX2EOHAO CCCC([O.])OCCO
BOX2EOHBO OCC([O.])OCCCC
BOX2MO [O.]COCCCC
PRCOOMO CCCC(=O)OC[O.]
1-METHOXY 2-PROPANOL
PR2OHMOX CC(O)COC
PRONEMOX CC(=O)COC
PR2OHMOXO2 CC(O)C(OC)O[O.]
PR2OHMONO3 CC(O)C(OC)ON(=O)=O
PR2OHMOOOH CC(O)C(OC)OO
ETOHCO2M CC(O)C(=O)OC
PROH2MOX CC(O)C(O)OC
PRONEMOXO2 CC(=O)C(OC)O[O.]
PRONEMOXO CC(=O)C(OC)[O.]
PRONEMOOOH CC(=O)C(OC)OO
MCOCOMOX CC(=O)C(=O)OC
PRONEMOXOH CC(=O)C(O)OC
MCOCOMOXO2 CC(=O)C(=O)OCO[O.]
MCOCOMOXO CC(=O)C(=O)OC[O.]
MCOCOMOOOH CC(=O)C(=O)OCOO
PR2OHMOXO CC(O)C(OC)[O.]
1-BUTOXY 2-PROPANOL
BOX2PROL CC(COCCCC)O
BOXPRONE CC(=O)COCCCC
BOXPROLAO2 CC(COC(CCC)O[O.])O
BOXPROLBO2 CC(C(OCCCC)O[O.])O
BOXPROLAO CC(COC(CCC)[O.])O
BOXPOLANO3 CC(COC(CCC)ON(=O)=O)O
BOXPOLAOOH CC(COC(CCC)OO)O
PRCOOPROL CC(COC(=O)CCC)O
BOXOHPROL CC(COC(CCC)O)O
PROL2FORM CC(O)COC=O
BOXPROLBO CC(C(OCCCC)[O.])O
BOXPOLBNO3 CC(C(OCCCC)ON(=O)=O)O
BOXPOLBOOH CC(C(OCCCC)OO)O
BOXCOEOL CC(C(=O)OCCCC)O
BOXPR2OH CC(C(OCCCC)O)O
BOXPRONAO2 CCCC(OCC(=O)C)O[O.]
BOXPRONEAO CCCC(OCC(=O)C)[O.]
BOXPRONBO2 CC(=O)C(OCCCC)O[O.]
BOXPROANO3 CC(=O)COC(ON(=O)=O)CCC
BOXPROOOH CC(=O)COC(OO)CCC
PRCOOPRONE CC(=O)COC(=O)CCC
BOXPRONOH CC(=O)COC(O)CCC
PRONFORM CC(=O)COC=O
BOXPRONBO CC(=O)C(OCCCC)[O.]
BOXPROBOOH CC(=O)C(OCCCC)OO
BOXCOCOME CC(=O)C(=O)OCCCC
BOXPRONBOH CC(=O)C(OCCCC)O
BOXCOEOLO2 CC(C(=O)OC(CCC)O[O.])O
BOXCOEOLO CC(C(=O)OC(CCC)[O.])O
BOXCOOLOOH CC(C(=O)OC(CCC)OO)O
PRONOCOPO2 CC(=O)COC(=O)CC(C)O[O.]
PRONOCOPO CC(=O)COC(=O)CC(C)[O.]
PRNOCOPOOH CC(=O)COC(=O)CC(C)OO
PRONFORMO2 CC(=O)C(O[O.])OC=O
PRONFORMO CC(=O)C([O.])OC=O
PRNFORMOOH CC(=O)C(OO)OC=O
BUFORMO C(=O)OC([O.])CCC
PRCOFORM C(=O)OC(=O)CCC
PRCOFORMO2 C(=O)OC(=O)CC(C)O[O.]
PRCOFORMO C(=O)OC(=O)CC(C)[O.]
PRCOFOROOH C(=O)OC(=O)CC(C)OO
MECOFORMO2 C(=O)OC(=O)CO[O.]
MECOFORMO C(=O)OC(=O)C[O.]
MECOFOROOH C(=O)OC(=O)COO
BUFORMOOH O=COC(CCC)OO
PRONOCOMO2 CC(=O)COC(=O)CO[O.]
PRONOCOMO CC(=O)COC(=O)C[O.]
PRNOCOMOOH CC(=O)COC(=O)COO
BOXCOCOMO2 C(=O)(C(=O)C)OC(CCC)O[O.]
BOXCOCOMO C(=O)(C(=O)C)OC(CCC)[O.]
BOX2COMOOH CC(=O)C(=O)OC(OO)CCC
BOXOHMEO CCCC(O)OC[O.]
BUOHFORM CCCC(O)OC=O
ORGANIC ACIDS
HCOOH C(=O)O
HCOO C(=O)[O.]
CH3CO2H CC(=O)O
CH3COO CC(=O)[O.]
PROPACID CCC(=O)O
C2H5COO CCC(=O)[O.]
KETONES
PROPANONE
CH3COCH3 CC(=O)C
CH3COCH2O2 CC(=O)CO[O.]
HYPERACET CC(=O)COO
CH3COCH2O CC(=O)C[O.]
BUTANONE
MEK CC(=O)CC
MEKBO2 CC(=O)C(C)O[O.]
MEKAO2 CC(=O)CCO[O.]
MEKCO2 CCC(=O)CO[O.]
MEKBO CC(=O)C(C)[O.]
MEKBOOH CC(=O)C(C)OO
MEKAO CC(=O)CC[O.]
MEKAOOH CC(=O)CCOO
MEKAOH CC(=O)CCO
MEKCO CCC(=O)C[O.]
MEKCOOH CCC(=O)COO
EGLYOX CCC(=O)C=O
MEKCOH CCC(=O)CO
BIACETO CC(=O)C(=O)C[O.]
BIACETOOH CC(=O)C(=O)COO
MEKANO3 CC(=O)CCON(=O)=O
CO2C3CO3 CC(=O)CC(=O)O[O.]
CO2C3COO CC(=O)CC(=O)[O.]
CO2C3PAN CC(=O)CC(=O)OON(=O)=O
CO2C3CO3H CC(=O)CC(=O)OO
CO23C3CHO CC(=O)C(=O)C=O
HO1CO3C4O2 OCCC(=O)CO[O.]
HO1CO3C4O OCCC(=O)C[O.]
HOCO3C4OOH OCCC(=O)COO
HO1CO3CHO OCCC(=O)C=O
HO14CO2C4 OCCC(=O)CO
C4CODIAL O=CC(=O)CC=O
CHOCOCH2O2 O=CC(=O)CO[O.]
2-PENTANONE
MPRK CC(=O)CCC
MPRKAO2 CC(=O)C(CC)O[O.]
MPRKAO CC(=O)C([O.])CC
MPRKAOOH CC(=O)C(CC)OO
CO23C5 CC(=O)C(=O)CC
MPRKAOH CC(=O)C(CC)O
CO2C54O CC(=O)CC(C)[O.]
MPRKNO3 CC(=O)CC(C)ON(=O)=O
MPRKBOOH CC(=O)CC(C)OO
CO24C5 CC(=O)CC(=O)C
HO2CO4C5O2 CC(O)CC(=O)CO[O.]
CO23C54O CC(=O)C(=O)C(C)[O.]
CO23C54OOH CC(OO)C(=O)C(=O)C
HO2CO4C5O CC(O)CC(=O)C[O.]
HOCO4C5OOH CC(O)CC(=O)COO
HO2CO4CHO CC(O)CC(=O)C=O
HO14CO2C5 CC(O)CC(=O)CO
CO24C53O2 CC(=O)C(O[O.])C(=O)C
CO24C53O CC(=O)C([O.])C(=O)C
CO24C53OOH CC(=O)C(OO)C(=O)C
3-PENTANONE
DIEK CCC(=O)CC
DIEKAO CCC(=O)C(C)[O.]
DIEKAOOH CC(OO)C(=O)CC
DIEKAOH CC(O)C(=O)CC
DIEKBO CCC(=O)CC[O.]
DIEKBOOH CCC(=O)CCOO
HOCO3C54O OCCC(=O)C(C)[O.]
HOCO3C54O2 OCCC(=O)C(O[O.])C
HOCO3C5OOH OCCC(=O)C(OO)C
HO14CO3C5 OCCC(=O)C(O)C
HO2CO3C4O CC(O)C(=O)C[O.]
2-HEXANONE
HEX2ONAO2 CCC(O[O.])CC(=O)C
HEX2ONBO2 CC(CCC(=O)C)O[O.]
HEX2ONCO2 CC(=O)C(O[O.])CCC
HEX2ONAO CC(=O)CC([O.])CC
HEX2ONANO3 CCC(ON(=O)=O)CC(=O)C
HEX2ONAOOH CC(=O)CC(OO)CC
CO24C6 CCC(=O)CC(=O)C
CO2HO4C6 CCC(O)CC(=O)C
CO2HOC61O2 CCC(O)CC(=O)CO[O.]
HEX2ONBO CC([O.])CCC(=O)C
HEX2ONBNO3 CC(ON(=O)=O)CCC(=O)C
HEX2ONBOOH CC(OO)CCC(=O)C
HEX2ONCO CC(=O)C([O.])CCC
HEX2ONCOOH CC(=O)C(OO)CCC
CO23C6 CC(=O)C(=O)CCC
CO2HO3C6 CC(=O)C(O)CCC
CO2HOC61O CCC(O)CC(=O)C[O.]
CO2HOC6OOH CCC(O)CC(=O)COO
CO24C6O2 CC(=O)CC(=O)C(O[O.])C
CO24C6O CC([O.])C(=O)CC(=O)C
CO24C6OOH CC(=O)CC(=O)C(OO)C
CO23C65O2 CC(=O)C(=O)CC(O[O.])C
CO23C65O CC([O.])CC(=O)C(=O)C
CO23C65OOH CC(OO)CC(=O)C(=O)C
C43NO34O2 CCC(ON(=O)=O)CO[O.]
C43NO34O CCC(ON(=O)=O)C[O.]
C43NO34OOH CCC(ON(=O)=O)COO
BUTAL2NO3 CCC(ON(=O)=O)C=O
BUTAL2O CCC(C=O)[O.]
3-HEXANONE
HEX3ONAO2 CCC(=O)CC(O[O.])C
HEX3ONBO2 CCC(O[O.])C(=O)CC
HEX3ONCO2 CCCC(=O)C(O[O.])C
HEX3ONDO2 CCCC(=O)CCO[O.]
HEX3ONAO CC([O.])CC(=O)CC
HEX3ONANO3 CC(ON(=O)=O)CC(=O)CC
HEX3ONAOOH CC(OO)CC(=O)CC
HEX3ONAOH CC(O)CC(=O)CC
C6CO3OH5O2 CC(O)CC(=O)C(O[O.])C
HEX3ONBO CCC(=O)C([O.])CC
HEX3ONBOOH CCC(=O)C(OO)CC
C6CO34 CCC(=O)C(=O)CC
C6CO3HO4 CCC(=O)C(O)CC
HEX3ONCO CC([O.])C(=O)CCC
HEX3ONCOOH CC(OO)C(=O)CCC
HEX3ONCOH CC(O)C(=O)CCC
HEX3ONDO CCCC(=O)CC[O.]
HEX3ONDNO3 CCC(=O)CCCON(=O)=O
HEX3ONDOOH CCCC(=O)CCOO
C3COCCHO CCCC(=O)CC=O
HEX3ONDOH CCCC(=O)CCO
C6HO1CO3O2 CCC(O[O.])C(=O)CCO
C6CO3OH5O CC([O.])C(=O)CC(O)C
C6CO3OHOOH CC(OO)C(=O)CC(O)C
C6CO23HO5 CC(=O)C(=O)CC(O)C
C6CO3HO25 CC(O)C(=O)CC(O)C
C6HO1CO3O CCC([O.])C(=O)CCO
C6HOCOOOH CCC(OO)C(=O)CCO
C6CO34HO1 CCC(=O)C(=O)CCO
C6CO3HO14 CCC(O)C(=O)CCO
C6CO34O2 CCC(=O)C(=O)C(O[O.])C
C6CO34O CC([O.])C(=O)C(=O)CC
C6CO34OOH CC(OO)C(=O)C(=O)CC
C3COCCO3 CCCC(=O)CC(=O)O[O.]
C3COCCO2 CCCC(=O)CC(=O)[O.]
C3COCPAN CCCC(=O)CC(=O)OON(=O)=O
C3COCCO3H CCCC(=O)CC(=O)OO
C6CO134 CCC(=O)C(=O)CC=O
C5CO34CO3 CCC(=O)C(=O)CC(=O)O[O.]
C5CO34CO2 CCC(=O)C(=O)CC(=O)[O.]
C6CO134PAN CCC(=O)C(=O)CC(=O)OON(=O)=O
C6CO134OOH CCC(=O)C(=O)CC(=O)OO
C5CO23O2 CCC(=O)C(=O)CO[O.]
C5CO23O CCC(=O)C(=O)C[O.]
C5CO23OOH CCC(=O)C(=O)COO
PEN2ONE1O2 CCCC(=O)CO[O.]
PEN2ONE1O CCCC(=O)C[O.]
PE2ONE1OOH CCCC(=O)COO
4-METHYL PENTAN-2-ONE
MIBKAO2 CC(=O)CC(C)(C)O[O.]
MIBKBO2 CC(=O)C(O[O.])C(C)C
MIBKAO CC(=O)CC(C)(C)[O.]
MIBKAOOH CC(=O)CC(C)(C)OO
MIBKAOH CC(=O)CC(C)(C)O
MIBKHO4O2 CC(O)(C)CC(=O)CO[O.]
MIBKHO4O CC(O)(C)CC(=O)C[O.]
MIBKHO4OOH CC(O)(C)CC(=O)COO
MIBKHO4CHO CC(O)(C)CC(=O)C=O
MIBKHO14 CC(O)(C)CC(=O)CO
MIBKBO CC(C)C([O.])C(=O)C
MIBKBOOH CC(C)C(OO)C(=O)C
MIBK3CO CC(C)C(=O)C(=O)C
MIBKBOH CC(C)C(O)C(=O)C
MIBKANO3 CC(=O)CC(C)(ON(=O)=O)C
MIBK3COO2 CC(=O)C(=O)C(C)(O[O.])C
MIBK3COO CC(=O)C(=O)C(C)([O.])C
MIBK3COOOH CC(=O)C(=O)C(C)(OO)C
4-OH-4-Me-2-PENTANONE
MIBKAOHAO2 CC(C)(O)C(O[O.])C(=O)C
MIBKAOHBO2 CC(=O)CC(C)(O)CO[O.]
MIBKAOHAO CC(C)(O)C([O.])C(=O)C
MIBKOHAOOH CC(=O)C(OO)C(C)(O)C
MIBKAOH3CO CC(C)(O)C(=O)C(=O)C
MIBKOH34 CC(C)(O)C(O)C(=O)C
MIBKAOHBO CC(=O)CC(C)(O)C[O.]
MIBKOHBOOH CC(=O)CC(C)(O)COO
MIBKAOHNO3 CC(=O)CC(C)(O)CON(=O)=O
MIBKCOOHO2 CC(=O)C(=O)C(C)(O)CO[O.]
MIBKCOOHO CC(=O)C(=O)C(C)(O)C[O.]
MBKCOOHOOH CC(=O)C(=O)C(C)(O)COO
C5CO234 CC(=O)C(=O)C(=O)C
C5CO234O2 CC(=O)C(=O)C(=O)CO[O.]
C5CO234O CC(=O)C(=O)C(=O)C[O.]
C5CO234OOH CC(=O)C(=O)C(=O)COO
DIALKENES
ISOPRENE
C5H8 C=C(C)C=C
ISOPAO2 OCC(=CCO[O.])C
ISOPAO OCC(=CC[O.])C
ISOPANO3 OCC(=CCON(=O)=O)C
ISOPAOH OCC(=CCO)C
ISOPAOOH OCC(=CCOO)C
HC4CCHO OCC=C(C)C=O
HC4CCO3 O=C(C(=CCO)C)O[O.]
HC4CCO3H O=C(C(=CCO)C)OO
HC4CCO2H O=C(C(=CCO)C)O
C5PAN16 O=C(C(=CCO)C)OON(=O)=O
C57O2 OCC(O)C(C)(C=O)O[O.]
C57O OCC(O)C(C)(C=O)[O.]
C57OH OCC(O)C(C)(C=O)O
C57OOH OCC(O)C(C)(C=O)OO
HCOCO3 C(=O)C(=O)O[O.]
GLYOX C(=O)C=O
HCOCO3H C(=O)C(=O)OO
HCOCO2H C(=O)C(=O)O
GLYPAN C(=O)C(=O)OON(=O)=O
ISOPBO2 OCC(C=C)(C)O[O.]
ISOPBO OCC(C=C)(C)[O.]
ISOPBNO3 OCC(C=C)(C)ON(=O)=O
ISOPBOH OCC(C=C)(C)O
ISOPBOOH OCC(C=C)(C)OO
MVK CC(=O)C=C
HMVKAO2 CC(=O)C(O)CO[O.]
HMVKAO CC(=O)C(O)C[O.]
HMVKANO3 CC(=O)C(O)CON(=O)=O
HMVKAOOH CC(=O)C(O)COO
HO12CO3C4 CC(=O)C(O)CO
HMVKBO2 CC(=O)C(CO)O[O.]
HMVKBO CC(=O)C(CO)[O.]
HMVKBOOH CC(=O)C(CO)OO
BIACETOH CC(=O)C(=O)CO
CO2H3CHO CC(=O)C(O)C=O
CO2H3CO3 CC(=O)C(O)C(=O)O[O.]
CO2H3CO3H CC(=O)C(O)C(=O)OO
C4PAN6 CC(=O)C(O)C(=O)OON(=O)=O
ISOPCO2 C(C(=CCO)C)O[O.]
ISOPCO C(C(=CCO)C)[O.]
ISOPCNO3 C(C(=CCO)C)ON(=O)=O
ISOPCOOH C(C(=CCO)C)OO
HC4ACHO OCC(=CC=O)C
HC4ACO3 OCC(=CC(=O)O[O.])C
HC4ACO3H OCC(=CC(=O)OO)C
HC4ACO2H OCC(=CC(=O)O)C
C5PAN17 OCC(=CC(=O)OON(=O)=O)C
C58O2 C(=O)C(O)C(C)(CO)O[O.]
C58O OCC(C(O)C=O)(C)[O.]
C58OOH OCC(C(O)C=O)(C)OO
C58OH OCC(C(O)C=O)(C)O
C58NO3 OCC(C(O)C=O)(C)ON(=O)=O
ISOPDO2 C=C(C(CO)O[O.])C
ISOPDO C=C(C(CO)[O.])C
ISOPDNO3 C=C(C(CO)ON(=O)=O)C
ISOPDOOH C=C(C(CO)OO)C
ISOPDOH C=C(C(CO)O)C
HCOC5 OCC(=O)C(=C)C
C59O2 OCC(=O)C(C)(CO)O[O.]
C59O OCC([O.])(C)C(=O)CO
C59OOH OCC(OO)(C)C(=O)CO
MACR C=C(C)C=O
MACO3 C=C(C(=O)O[O.])C
MACO3H C=C(C(=O)OO)C
MACO2H C=C(C(=O)O)C
MPAN C=C(C(=O)OON(=O)=O)C
MACRO2 OCC(C)(C=O)O[O.]
MACRO OCC(C)(C=O)[O.]
MACROOH OCC(C)(C=O)OO
MACROH OCC(C)(C=O)O
NISOPO2 CC(=CCO[O.])CON(=O)=O
NISOPO CC(=CC[O.])CON(=O)=O
NISOPNO3 C(C(=CCON(=O)=O)C)ON(=O)=O
NISOPOOH C(C(=CCOO)C)ON(=O)=O
NC4CHO C(C(=CC=O)C)ON(=O)=O
NC4CO3 C(C(=CC(=O)O[O.])C)ON(=O)=O
NC4CO3H C(C(=CC(=O)OO)C)ON(=O)=O
NC4CO2H C(C(=CC(=O)O)C)ON(=O)=O
C5PAN18 C(C(=CC(=O)OON(=O)=O)C)ON(=O)=O
C510O2 C(=O)C(O)C(C)(O[O.])CON(=O)=O
C510O C(=O)C(O)C(C)([O.])CON(=O)=O
C510OH C(=O)C(O)C(C)(O)CON(=O)=O
C510OOH C(=O)C(O)C(C)(OO)CON(=O)=O
MACROO C=C(C)[C.]O[O.]
MVKOO C[C.](C=C)O[O.]
MVKO2 C=CC(=O)CO[O.]
MVKO C=CC(=O)C[O.]
MVKOOH C=CC(=O)COO
MVKOH C=CC(=O)CO
VGLYOX C=CC(=O)C=O
GAOO OC[C.]O[O.]
MGLYOO C(=O)[C.](C)O[O.]
MGLOO CC(=O)[C.]O[O.]
ACLOO OC[C.](C)O[O.]
GLYOO C(=O)[C.]O[O.]
CH3COCO2H CC(=O)C(=O)O
NOAOO C[C.](O[O.])CON(=O)=O
1,3-BUTADIENE
C4H6 C=CC=C
BUTDAO2 OCC=CCO[O.]
BUTDAO OCC=CC[O.]
BUTDANO3 OCC=CCON(=O)=O
BUTDAOOH OCC=CCOO
BUTDAOH OCC=CCO
HC3CHO OCC=CC=O
HC3CO3 OCC=CC(=O)O[O.]
HC3CO3H OCC=CC(=O)OO
HC3CO2H OCC=CC(=O)O
C4PAN7 OCC=CC(=O)OON(=O)=O
C41O2 OCC(O[O.])C(O)C=O
C41O C(=O)C(O)C(CO)[O.]
C41NO3 C(=O)C(O)C(CO)ON(=O)=O
C41OOH C(=O)C(O)C(CO)OO
C41OH C(=O)C(O)C(CO)O
H13CO2CHO C(=O)C(O)C(=O)CO
H13CO2CO3 OCC(=O)C(O)C(=O)O[O.]
H13CO2CO3H OCC(=O)C(O)C(=O)OO
C4PAN10 OCC(=O)C(O)C(=O)OON(=O)=O
HOCH2COCHO OCC(=O)C=O
BUTDBO2 OCC(C=C)O[O.]
BUTDBO OCC(C=C)[O.]
BUTDBNO3 OCC(C=C)ON(=O)=O
BUTDBOOH OCC(C=C)OO
BUTDBOH OCC(C=C)O
ACR C=CC=O
ACO3 C=CC(=O)O[O.]
ACRPAN C=CC(=O)OON(=O)=O
ACO3H C=CC(=O)OO
ACO2H C=CC(=O)O
BUTDCO2 C=CC(O)CO[O.]
BUTDCO C=CC(O)C[O.]
BUTDCOOH C=CC(O)COO
HC3CCHO C=CC(O)C=O
HC3CCO3 C=CC(O)C(=O)O[O.]
HC3CCO3H C=CC(O)C(=O)OO
C4PAN8 C=CC(O)C(=O)OON(=O)=O
NBUTDAO2 O(CC(O[O.])C=C)N(=O)=O
NBUTDAO O(CC([O.])C=C)N(=O)=O
NBUTDAOOH O(CC(OO)C=C)N(=O)=O
NBUTDAOH O(CC(O)C=C)N(=O)=O
NMVK O(CC(=O)C=C)N(=O)=O
HNMVKO2 OCC(C(=O)CON(=O)=O)O[O.]
HNMVKO OCC(C(=O)CON(=O)=O)[O.]
HNMVKOOH OCC(C(=O)CON(=O)=O)OO
HNMVKOH OCC(O)C(=O)CON(=O)=O
HNBIACET OCC(=O)C(=O)CON(=O)=O
NCO23CHO C(=O)C(=O)C(=O)CON(=O)=O
NBUTDBO2 O(CC=CCO[O.])N(=O)=O
NBUTDBO O(CC=CC[O.])N(=O)=O
NBUTDBNO3 O(CC=CCON(=O)=O)N(=O)=O
NBUTDBOOH O(CC=CCOO)N(=O)=O
NC3CHO O(CC=CC=O)N(=O)=O
NC3CO3 O(CC=CC(=O)O[O.])N(=O)=O
NC3CO3H O(CC=CC(=O)OO)N(=O)=O
NC3CO2H O(CC=CC(=O)O)N(=O)=O
C4PAN9 O(CC=CC(=O)OON(=O)=O)N(=O)=O
C42O2 C(ON(=O)=O)C(O[O.])C(C=O)O
C42O C(ON(=O)=O)C([O.])C(C=O)O
C42OOH C(ON(=O)=O)C(OO)C(C=O)O
C42OH C(ON(=O)=O)C(O)C(C=O)O
C42AOH C(ON(=O)=O)C(O)C=O
H3NCO2CHO C(ON(=O)=O)C(=O)C(C=O)O
NMGLYOX C(ON(=O)=O)C(=O)C=O
ACROO C=C[C.]O[O.]
NAOO C(ON(=O)=O)C[C.]O[O.]
ALKYNES
ACETYLENE
C2H2 C#C
HOC2H2O2 OC=CO[O.]
CHLORO-VOC
CHLOROMETHANE
CH3CL CCl
CH2CLO2 C(Cl)O[O.]
CH2CLO C(Cl)[O.]
CH2CLOOH C(Cl)OO
CHOCL C(=O)Cl
CH2CLOH C(Cl)O
DICHLOROMETHANE
CH2CL2 C(Cl)Cl
CHCL2O2 C(Cl)(Cl)O[O.]
CHCL2O C(Cl)(Cl)[O.]
CHCL2OOH C(Cl)(Cl)OO
CHCL2OH C(Cl)(Cl)O
COCL2 C(=O)(Cl)Cl
1,1,1-TRICHLOROETHANE
CH3CCL3 CC(Cl)(Cl)Cl
CCL3CH2O2 C(O[O.])C(Cl)(Cl)Cl
CCL3CH2O [O.]CC(Cl)(Cl)Cl
CCL3CH2OOH OOCC(Cl)(Cl)Cl
CCL3CHO O=CC(Cl)(Cl)Cl
CCL3CH2OH OCC(Cl)(Cl)Cl
CCL3CO3 C(=O)(O[O.])C(Cl)(Cl)Cl
CCL3O2 C(Cl)(Cl)(Cl)O[O.]
CCL3CO2 O=C([O.])C(Cl)(Cl)Cl
CCL3CO3H O=C(OO)C(Cl)(Cl)Cl
CCL3O [O.]C(Cl)(Cl)Cl
CCL3OOH OOC(Cl)(Cl)Cl
CCL3PAN C(Cl)(Cl)(Cl)C(=O)OON(=O)=O
CHCL3 ClC(Cl)Cl
CCL3OH ClC(Cl)(Cl)O
TETRA-CHLORO-ETHENE
TCE ClC(=C(Cl)Cl)Cl
TCEOHO2 ClC(Cl)(O[O.])C(Cl)(Cl)O
TCEOHO ClC(Cl)(O)C(Cl)(Cl)[O.]
TCEOHOOH ClC(Cl)(O)C(Cl)(Cl)OO
TCE2OH ClC(Cl)(O)C(Cl)(Cl)O
TRI-CHLORO-ETHENE
TRICLETH ClC(=CCl)Cl
C2CL3OHAO2 ClC(Cl)(O[O.])C(Cl)O
C2CL3OHBO2 ClC(Cl)(O)C(Cl)O[O.]
C2CL3OHAO ClC(O)C(Cl)(Cl)[O.]
C2CL3OHOOH ClC(O)C(Cl)(Cl)OO
C2CL32OH ClC(O)C(Cl)(Cl)O
C2CL3OHBO ClC(Cl)(O)C(Cl)[O.]
C2CL3HOOOH ClC(Cl)(O)C(Cl)OO
CCL2OHCOCL ClC(Cl)(O)C(=O)Cl
CLCOCCL2O ClC(=O)C(Cl)(Cl)[O.]
DI-CHLOROETHENE
DICLETH C(=CCl)Cl
C2CL2OHO2 ClC(O)C(Cl)O[O.]
C2CL2OHO C(Cl)(O)C(Cl)[O.]
C2CL2OHOOH ClC(O)C(Cl)OO
CCLOHCOCL ClC(O)C(=O)Cl
C2CL2OH2 ClC(O)C(Cl)O
CLGLYOX ClC(=O)C(=O)Cl
CYCLIC VOC
CYCLOHEXANOL
CYHEXOL C1CCCC(C1)O
CYHEXONE C1CCCC(=O)C1
CYHEXOLAO2 C1CCC(C(C1)O)O[O.]
CYHEXOLAO C1CCC(C(C1)O)[O.]
CYHXONANO3 C1CC(ON(=O)=O)CC(=O)C1
CYHXOLANO3 C1CCC(C(C1)O)ON(=O)=O
CYHXOLAOOH C1CCC(C(C1)O)OO
CYHXOLACO C1CCC(=O)C(C1)O
ALLYLOH C=CCO
CYHXDIOLA C1CCC(C(C1)O)O
C6DIAL C(=O)CCCCC=O
CYC6DIONE C1CCC(=O)C(=O)C1
CHOC4CO3 C(=O)CCCCC(=O)O[O.]
CYC6DIONO2 C1C(O[O.])CC(=O)C(=O)C1
CYC6DIONO C1C([O.])CC(=O)C(=O)C1
CY6DIONOOH C1C(OO)CC(=O)C(=O)C1
CHOC4CO2 C(=O)CCCCC(=O)[O.]
CHOC4PAN C(=O)CCCCC(=O)OON(=O)=O
CHOC4CO3H C(=O)CCCCC(=O)OO
CHOC4O2 C(=O)CCCCO[O.]
CHOC4O C(=O)CCCC[O.]
CHOC4OOH C(=O)CCCCOO
C6145COO2 O=CCCC(=O)C(=O)CO[O.]
HOC4CHOO2 O=CC(O[O.])CCCO
C6145COO O=CCCC(=O)C(=O)C[O.]
C6145COOOH O=CCCC(=O)C(=O)COO
C6TRONOHO2 O=CCC(O[O.])C(=O)C(=O)CO
C6TRONOHO O=CCC([O.])C(=O)C(=O)CO
C6TONOHOOH O=CCC(OO)C(=O)C(=O)CO
HOC4CHOO OCCCC([O.])C=O
HOC4CHOOOH O=CC(OO)CCCO
C6DIALO2 O=CCC(O[O.])CCC=O
C6DIALO O=CCC([O.])CCC=O
C6DIALOOH O=CCC(OO)CCC=O
C6DIALOH O=CCC(O)CCC=O
CHOC4OHO2 O=CCCC(O)CO[O.]
CHOC4OHO O=CCCC(O)C[O.]
CHOC4OHOOH O=CCCC(O)COO
CHOC4DOLO2 O=CC(O[O.])CC(O)CO
CHOC4DOLO OCC(O)CC([O.])C=O
ALC4DOLOOH OCC(O)CC(OO)C=O
CHOC3DIOL OCC(O)CC=O
C3DIOLO2 OCC(O)CO[O.]
C3DIOLO OCC(O)C[O.]
C3DIOLOOH OCC(O)COO
CYCLOHEXANONE
CYHXONAO2 C1CC(O[O.])CC(=O)C1
CYHXONAO C1CC([O.])CC(=O)C1
CYHXONAOOH C1CC(OO)CC(=O)C1
CYC613DION C1CC(=O)CC(=O)C1
CYHXONAOH C1CC(O)CC(=O)C1
C6COCHOO2 C(O[O.])CCC(=O)CC=O
C6COCHOO C([O.])CCC(=O)CC=O
C6COCHOOOH C(OO)CCC(=O)CC=O
C6CODIAL O=CCCC(=O)CC=O
C6COHOCHO C(O)CCC(=O)CC=O
CY6DIONO2 C1(O[O.])CC(=O)CC(=O)C1
CY6DIONO C1([O.])CC(=O)CC(=O)C1
CY6COCOOOH C1(OO)CC(=O)CC(=O)C1
VINOH C=CO
CY6TRION C1(=O)CC(=O)CC(=O)C1
CY6DIONOH C1(O)CC(=O)CC(=O)C1
CY6TRIONO2 O=CCC(=O)CC(=O)CO[O.]
C6COCHOCO3 O=CCCC(=O)CC(=O)O[O.]
C5COCHOO2 O=CCCC(=O)CO[O.]
CHOC2H4O2 O=CCCO[O.]
CHOC2H4O O=CCC[O.]
C6COCHOCO2 O=CCCC(=O)CC(=O)[O.]
C6COCHOPAN O=CCCC(=O)CC(=O)OON(=O)=O
C6COALCO3H O=CCCC(=O)CC(=O)OO
C6COALCO2H O=CCCC(=O)CC(=O)O
C6CYTONO2 C1(=O)C(O[O.])C(=O)CC(=O)C1
C6CYTONO C1(=O)C([O.])C(=O)CC(=O)C1
C6CYTONOOH C1(=O)C(OO)C(=O)CC(=O)C1
C5124COCO3 O=CC(=O)CC(=O)CC(=O)O[O.]
C5124COCO2 O=CC(=O)CC(=O)CC(=O)[O.]
C5124COPAN O=CC(=O)CC(=O)CC(=O)OON(=O)=O
C5TRONCO3H O=CC(=O)CC(=O)CC(=O)OO
C5124COO2 O=CC(=O)CC(=O)CO[O.]
C5124COO O=CC(=O)CC(=O)C[O.]
C5124COOOH O=CC(=O)CC(=O)COO
C312COCO3 C(=O)C(=O)CC(=O)O[O.]
C312COCO2 O=CC(=O)CC(=O)[O.]
C312COPAN O=CC(=O)CC(=O)OON(=O)=O
C312COCO3H O=CC(=O)CC(=O)OO
CHOCOCH2O2 O=CC(=O)CO[O.]
CHOCOCH2O O=CC(=O)C[O.]
ALCOCH2OOH O=CC(=O)COO
C6135COO O=CCC(=O)CC(=O)C[O.]
C6135COOOH O=CCC(=O)CC(=O)COO
CHOC3COCO3 O=CCC(=O)CC(=O)O[O.]
CHOC3COCO2 O=CCC(=O)CC(=O)[O.]
CHOC3COPAN O=CCC(=O)CC(=O)OON(=O)=O
CHOC3COOOH O=CCC(=O)CC(=O)OO
CHOC3COO2 O=CCC(=O)CO[O.]
CHOC3COO O=CCC(=O)C[O.]
C413COOOH O=CCC(=O)COO
C5COCHOO O=CCCC(=O)C[O.]
C5COCHOOOH O=CCCC(=O)COO
CHOC2CO3 O=CCCC(=O)O[O.]
CHOC2CO2 O=CCCC(=O)[O.]
CHOC2PAN O=CCCC(=O)OON(=O)=O
CHOC2CO3H O=CCCC(=O)OO
CHOC2H4OOH O=CCCOO
CYCLOHEXANE
CHEX C1CCCCC1
CHEXO2 C1CCCC(C1)O[O.]
CHEXO C1CCCC(C1)[O.]
CHEXOOH C1CCCC(C1)OO
CHEXNO3 C1CCCC(C1)ON(=O)=O
AROMATICS
BENZENE
BENZENE C1=CC=CC=C1
BENZEN1 C1=CC=CC(O)C1O[O.]
BENZEN1OOH C1=CC=CC(O)C1OO
TOLUENE
TOL C1=CC=CC=C1C
TOLA1 C1=CC(O)C(C)(O[O.])C=C1
TOLS1 C1=CC=CC=C1CO[O.]
TOLA1OOH C1=CC(O)C(C)(OO)C=C1
MALDIAL O=CC=CC=O
MALDIAL1 O=CC(O)C(C=O)O[O.]
MALDIALOOH O=CC(OO)C(O)C=O
TOLS2 C1=CC=CC=C1C[O.]
BENZAL C1=CC=CC=C1C=O
TOLS1OOH C1=CC=CC=C1COO
O-XYLENE
OXYL C1=CC=CC(=C1C)C
OXYL1 C1(C)C(C)(O[O.])C(=CC=C1)O
OXYL1OOH C1(C)C(C)(OO)C(=CC=C1)O
M-XYLENE
MXYL C1(=CC(=CC=C1)C)C
MXYL1 C1(=CC(C)(O[O.])C(O)C=C1)C
MXYL1OOH C1(=CC(C)(OO)C(O)C=C1)C
MEMALDIAL O=CC(=CC=O)C
MEMALDIAL1 O=CC(O[O.])(C)C(O)C=O
MEMLDLOOH O=CC(OO)(C)C(O)C=O
P-XYLENE
PXYL C1(=CC=C(C)C=C1)C
PXYL1 C1(O)C(C)(O[O.])C=CC(=C1)C
PXYL1OOH C1(O)C(C)(OO)C=CC(=C1)C
ETHYL BENZENE
EBENZENE C1=CC=CC=C1CC
EB1 C1(O[O.])(CC)C(O)C=CC=C1
EB1OOH C1(OO)(CC)C(O)C=CC=C1
N-PROPYL BENZENE
PRBEN C1(=CC=CC=C1)CCC
PRBEN1 C1=CC(C(C=C1)O)(CCC)O[O.]
PRBEN1OOH C1=CC(C(C=C1)O)(CCC)OO
PRGLYOX CCCC(=O)C=O
I-PROPYL BENZENE
IPRBEN C1(=CC=CC=C1)C(C)C
IPRBEN1 C1(C(C)C)(O[O.])C(O)C=CC=C1
IPRBEN1OOH C1(OO)(C(C)C)C(O)C=CC=C1
1,2,3-TRIMETHYL BENZENE
X123TRIMBN C1(=C(C)C(=CC=C1)C)C
X123TRB1 C1=CC(C(C(=C1)C)(C)O)(O[O.])C
X123TB1OOH C1=CC(C(C(=C1)C)(C)O)(OO)C
MALCOME CC(=O)C=CC=O
MALCOM1 CC(=O)C(O[O.])C(O)C=O
MALCOM1OOH CC(=O)C(OO)C(O)C=O
X123TRB2 C1=CC(C(C(=C1)C)(C)O[O.])(O)C
X123TB2OOH C1=CC(C(C(=C1)C)(C)OO)(O)C
MEMALCOME CC(=O)C(=CC=O)C
MEMALCOM1 CC(=O)C(C)(O[O.])C(O)C=O
MMALCOMOOH CC(=O)C(OO)(C)C(O)C=O
X123TRB3 C1=C(C(=C(C(C1O)O[O.])C)C)C
X123TB3OOH C1=C(C(=C(C(C1O)OO)C)C)C
DMEMALCOME CC(=O)C(=C(C)C=O)C
DMEMALCOM1 CC(=O)C(O)(C)C(C)(O[O.])C=O
DMALCOMOOH CC(=O)C(O)(C)C(C)(OO)C=O
1,2,4-TRIMETHYL BENZENE
X124TRIMBN C1=C(C(=CC(=C1)C)C)C
X124TRB1 C1=C(C(C(C(=C1)C)O[O.])(C)O)C
X124TB1OOH C1=C(C(C(C(=C1)C)OO)(C)O)C
X124TRB2 C1=CC(C(C(=C1C)C)O)(O[O.])C
X124TB2OOH C1=CC(C(C(=C1C)C)O)(OO)C
MCOMECOME CC(=O)C=CC(=O)C
MCOMECOM1 CC(=O)C(O[O.])C(O)C(=O)C
MCOMCOMOOH CC(=O)C(OO)C(O)C(=O)C
X124TRB3 C1=C(C(=CC(C1O[O.])(C)O)C)C
X124TB3OOH C1=C(C(=CC(C1OO)(C)O)C)C
X124TRB4 C1(C(C(=CC(=C1C)C)C)O)O[O.]
X124TB4OOH C1(C(C(=CC(=C1C)C)C)O)OO
DIMEMDIAL O=CC(=C(C)C=O)C
DIMEMDIAL1 O=CC(C)(O[O.])C(C)(O)C=O
DMEDIALOOH O=CC(OO)(C)C(C)(O)C=O
X124TRB5 C1(C=C(C=C(C1(C)O[O.])C)C)O
X124TB5OOH C1(C=C(C=C(C1(C)OO)C)C)O
MMCOMECOME CC(=O)C(=CC(=O)C)C
MMCOMECOM1 CC(=O)C(C)(O[O.])C(O)C(=O)C
MMCOMCOMH CC(=O)C(OO)(C)C(O)C(=O)C
1,3,5-TRIMETHYL BENZENE
X135TRIMBN C1=C(C=C(C=C1C)C)C
X135TRB1 C1=C(C=C(C(C1(C)O)O[O.])C)C
X135TB1OOH C1=C(C=C(C(C1(C)O)OO)C)C
O-ETHYL TOLUENE
OETHTOL C1=C(C(=CC=C1)CC)C
OETHTOL1 C1=C(C(C(C=C1)O[O.])(CC)O)C
OETOL1OOH C1=C(C(C(C=C1)OO)(CC)O)C
OETHTOL2 C1=CC(C(C(=C1C)CC)O)O[O.]
OETOL2OOH C1=CC(C(C(=C1C)CC)O)OO
OETHTOL3 C1=C(C(=CC(C1O[O.])O)CC)C
OETOL3OOH C1=C(C(=CC(C1OO)O)CC)C
MEMALCOET O=CC=C(C)C(=O)CC
MEMALCOET1 O=CC(O)C(C)(O[O.])C(=O)CC
MMALCOEOOH O=CC(O)C(C)(OO)C(=O)CC
OETHTOL4 C1(C(C=CC(=C1C)CC)O)O[O.]
OETOL4OOH C1(C(C=CC(=C1C)CC)O)OO
MEETMDIAL O=CC(=C(CC)C=O)C
MEETMDIAL1 O=CC(C)(O[O.])C(O)(CC)C=O
MEMDIALOOH O=CC(C)(OO)C(O)(CC)C=O
OETHTOL5 C1(C=CC=C(C1(C)O[O.])CC)O
OETOL5OOH C1(C=CC=C(C1(C)OO)CC)O
ETMALCOME CC(=O)C(=CC=O)CC
ETMALCOM1 CC(=O)C(CC)(O[O.])C(O)C=O
EMALCOMOOH CC(=O)C(CC)(OO)C(O)C=O
OETHTOL6 C1=CC=CC(C1(O)C)(CC)O[O.]
OETOL6OOH C1=CC=CC(C1(O)C)(CC)OO
MALCOET O=CC=CC(=O)CC
MALCOET1 C(=O)C(O[O.])C(O)C(=O)CC
MALCOETOOH O=CC(OO)C(O)C(=O)CC
M-ETHYL TOLUENE
METHTOL C1=C(C=C(C=C1)CC)C
METHTOL1 C1=C(C(C(C=C1)(CC)O[O.])O)C
METOL1OOH C1=C(C(C(C=C1)(CC)OO)O)C
METHTOL2 C1=CC(C(C=C1C)(CC)O)O[O.]
METOL2OOH C1=CC(C(C=C1C)(CC)O)OO
METHTOL3 C1=C(C=C(C(C1O[O.])O)CC)C
METOL3OOH C1=C(C=C(C(C1OO)O)CC)C
METHTOL4 C1(C(C=C(C=C1C)CC)O)O[O.]
METOL4OOH C1(C(C=C(C=C1C)CC)O)OO
METHTOL5 C1(C=CC(=CC1(C)O[O.])CC)O
METOL5OOH C1(C=CC(=CC1(C)OO)CC)O
METHTOL6 C1=CC=C(C(C1(C)O)O[O.])CC
METOL6OOH C1=CC=C(C(C1(C)O)OO)CC
ETMALDIAL O=CC(=CC=O)CC
ETMALDIAL1 O=CC(CC)(O[O.])C(O)C=O
EMALDIALH O=CC(CC)(OO)C(O)C=O
P-ETHYL TOLUENE
PETHTOL C1=C(C=CC(=C1)CC)C
PETHTOL1 C1=C(C(C(C(=C1)CC)O[O.])O)C
PETOL1OOH C1=C(C(C(C(=C1)CC)OO)O)C
PETHTOL2 C1=CC(C(C=C1C)O)(O[O.])CC
PETOL2OOH C1=CC(C(C=C1C)O)(OO)CC
PETHTOL3 C1=C(C=CC(C1O[O.])(CC)O)C
PETOL3OOH C1=C(C=CC(C1OO)(CC)O)C
MCOMECOET CC(=O)C=CC(=O)CC
MCOMECOET1 CC(=O)C(O)C(O[O.])C(=O)CC
MCOMCOEOOH CC(=O)C(O)C(OO)C(=O)CC
3,5-DIMETHYL ETHY BENZENE
DIME35EB C1=C(C=C(C=C1C)C)CC
DIME35EB1 C1=C(C=C(C(C1(C)O)O[O.])C)CC
DM35EB1OOH C1=C(C=C(C(C1(C)O)OO)C)CC
DIME35EB2 C1(=CC(C(C(=C1)CC)O[O.])(C)O)C
DM35EB2OOH C1(=CC(C(C(=C1)CC)OO)(C)O)C
DIME35EB3 C1(=CC(=CC(C1O[O.])(CC)O)C)C
DM35EB3OOH C1(=CC(=CC(C1OO)(CC)O)C)C
3,5-DIETHYL TOLUENE
DIET35TOL C1(=CC(=CC(=C1)CC)C)CC
DIET35TOL1 C1(=CC(C(C(=C1)C)O[O.])(CC)O)CC
DE35TOL1H C1(=CC(C(C(=C1)C)OO)(CC)O)CC
DIET35TOL2 C1(C(C(=CC(=C1)C)CC)O[O.])(CC)O
DE35TOL2H C1(C(C(=CC(=C1)C)CC)OO)(CC)O
DIET35TOL3 C1(=CC(=CC(C1O[O.])(C)O)CC)CC
DE35TOL3H C1(=CC(=CC(C1OO)(C)O)CC)CC
ETMALCOET O=CC(=CC(=O)CC)CC
ETMALCOET1 O=CC(CC)(O)C(O[O.])C(=O)CC
EMALCOEOOH O=CC(CC)(O)C(OO)C(=O)CC
ETHENYL BENZENE(STYRENE)
STYRENE C1=CC(=CC=C1)C=C
STYRENO2 C1=CC(=CC=C1)C(CO[O.])O
STYRENOOH C1=CC(=CC=C1)C(COO)O
PHCHOO C1=CC=CC(=C1)[C.]O[O.]
PHCOOH C1=CC=CC(=C1)C(=O)O
NSTYRENO2 C1=CC=CC(=C1)C(O[O.])CON(=O)=O
NSTYRENEO C1=CC=CC(=C1)C([O.])CON(=O)=O
NSTYRENOOH C1=CC=CC(=C1)C(OO)CON(=O)=O
BENZALDEHYDE
C6H5O2 C1=CC=CC(=C1)O[O.]
C6H5CO3 C1=CC=CC(=C1)C(=O)O[O.]
C6H5O C1=CC=CC(=C1)[O.]
PBZN C1=CC=CC(=C1)C(=O)OON(=O)=O
C6H5CO3H C1=CC=CC(=C1)C(=O)OO
C6H5OOH C1=CC=CC(=C1)OO

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