This script aims to extract model sources in a clear and informative format. The script first shows what all the kinetic and thermo sources are in a model. Then it goes through each reaction and species to show their source and what the assigned uncertainties are. This can be used with any RMG-generated CHEMKIN file that is annotated.


In [1]:
from rmgpy.tools.uncertainty import Uncertainty
from IPython.display import display
import copy

In [2]:
chemFile = '/home/mjliu/Documents/DTBS/new_runs/pyro/chem_annotated.inp'
dictFile = '/home/mjliu/Documents/DTBS/new_runs/pyro/species_dictionary.txt'

In [3]:
uncertainty = Uncertainty(outputDirectory='testUncertainty')

In [4]:
uncertainty.loadModel(chemFile, dictFile)

In [5]:
uncertainty.loadDatabase()


Averaging thermo data over 4 value(s).
Averaging thermo data over 14 value(s).
Averaging thermo data over 5 value(s).
Averaging thermo data over 5 value(s).
Averaging thermo data over 2 value(s).
Averaging thermo data over 8 value(s).

In [6]:
uncertainty.extractSourcesFromModel()

In [7]:
print 'All Kinetic Sources'
for sourceType in uncertainty.allKineticSources.keys():
    if sourceType == 'Library':
        print '============'
        print 'Library kinetics'
        print ''
        print '\tReactions: ', uncertainty.allKineticSources['Library']
    elif sourceType == 'PDep':
        print '============'
        print 'PDep kinetics'
        print ''
        print '\tReactions: ', uncertainty.allKineticSources['PDep']
    elif sourceType == 'Rate Rules':
        print '============'
        print 'Rate rule kinetics'
        print ''
        for familyLabel, entries in uncertainty.allKineticSources['Rate Rules'].iteritems():
            print '\t', familyLabel
            for entry in entries:
                print '\t\t', entry
    elif sourceType == 'Training':
        print '============'
        print 'Training reaction kinetics'
        print ''
        for familyLabel, entries in uncertainty.allKineticSources['Training'].iteritems():
            print '\t', familyLabel
            for entry in entries:
                print '\t\t', entry
    else:
        print sourceType
        raise Exception('Kinetics source mut be Library, PDep, Rate Rules, or Training')


All Kinetic Sources
============
Rate rule kinetics

	SubstitutionS
		S-Cs(HHH)Cs(CdHH);HJ
		S-Cs(HHH)Cs(CdCsH);HJ
		S-Cs(HHH)Cs(CdCsCs);HJ
		S-Cs(HHH)Cs(CtHH);HJ
		S-Cs(HHH)Cs(CtCsH);HJ
		S-Cs(HHH)Cs(CtCsCs);HJ
============
Training reaction kinetics

============
Library kinetics

	Reactions:  []
============
PDep kinetics

	Reactions:  []

In [8]:
print 'All Thermo Sources'
for sourceType in uncertainty.allThermoSources.keys():
    if sourceType == 'Library':
        print '============'
        print 'Library thermo'
        print ''
        print '\tSpecies: ', uncertainty.allThermoSources['Library']
    elif sourceType == 'QM':
        print '============'
        print 'QM thermo'
        print ''
        print '\tSpecies: ', uncertainty.allThermoSources['QM']
    elif sourceType == 'GAV':
        print '============'
        print 'Group additivity thermo'
        print ''
        for groupType, entries in uncertainty.allThermoSources['GAV'].iteritems():
            print '\t', groupType
            for entry in entries:
                print '\t\t', entry
    else:
        raise Exception('Thermo source must be GAV, QM, or Library')


All Thermo Sources
============
Group additivity thermo

	int15
		Ss(Cs(CsCsCs)Cs(CsCsCs))
	gauche
		Ss(RR)
		Ss(CsH)
		Cs(CsRRR)
		Ss(CsCs)
		Ss(CsR)
		CsOsCdSs
		Cs(Cs(CsCsR)RRR)
		Ss(Cs(CsHH)H)
		Cs(RRRR)
		Cs(CsCsCsR)
		Cs(CsCsCsCs)
		Cd(CsCs)
		Cs(Cs(CsCsCs)RRR)
	group
		Cs-CsCsCsSs
		Cs-(Cds-Cds)(Cds-Cds)HH
		Ss-C=SCd
		Cs-CsCsSsH
		Cds-CdsCsCs
		Cs-CsCsCsH
		Ss-SsCd
		Ss-SsCs
		Cds-CdsCsH
		Cs-CsCsHH
		Cs-C=SCsCsCs
		Cs-(Cds-Cds)CsCsH
		C=S-CsSs
		Cs-(Cds-Cds)CsHH
		Cds-CdsSsH
		Cds-CdsHH
		Cs-CsCsCsCs
		Cs-CdsCsSsH
		Ss-CsH
		Cs-C=SCsCsH
		Cs-(Cds-Cds)HHH
		Ss-CdH
		Cs-CsHHH
		Cs-(Cds-Cds)(Cds-Cds)CsCs
		Ss-CdCd
		Cs-C=SCsHH
		Sd-Cd
		C=S-CsCs
		Cds-CdsC=SCs
		Ss-SsH
		C=S-CdsCs
		Ss-SsSs
		Ss-C=SH
		Cds-CdsCsSs
		Cs-CsSsHH
		Cs-CdsSsHH
		C=S-CdsH
		Cdd-CdSd
		Cds-Cds(Cds-Cds)Cs
		C=S-CsH
		Cs-(Cds-Cds)(Cds-Cds)CsH
		Cds-CdsC=SH
		Ss-CsCs
		Cs-(Cds-Cds)CsCsCs
		Ss-CsCd
		Cds-Cds(Cds-Cds)H
		Ss-C=SCs
		Cs-CsCsSsSs
		Cs-CsSsSsH
	radical
		SJ-Cd
		SJ-C=S
		cyclopropane
		C=CC=CCJ
		Cs_P
		SJ-Ss-Ss
		CsJ-SsHH
		Tertalkyl
		Allyl_T
		CsJ-CdSsH
		CsJ-CsCsSs
		C=SJ-Cs
		C=SJ-Cd
		CsJ-CsCdSs
		C=CCJC=C
		Isobutyl
		Neopentyl
		Cds_S
		RCCJ
		Allyl_P
		CsJ-CsSsSs
		C=CJC=C
		SJ-Cs
		Allyl_S
		Cs_S
		SJ-Ss-Cs
	polycyclic
		PolycyclicRing
	other
		R
	ring
		thiophene
		thiirane
		1,2-dithietane
		dithiirane
		Cyclohexane
		2,5-dihydrothiophene
		methylenecyclobutane
		Cyclopentane
		thiolane
		1,3-dithiolane
		2,3-dihydrothiophene
		1,4-Cyclohexadiene
		12methylenecyclobutane
============
QM thermo

	Species:  []
============
Library thermo

	Species:  [0, 1, 2, 3, 5, 7, 9, 12, 77, 14, 15, 16, 49, 18, 19, 20, 28, 29]

In [9]:
# Assign all the uncertainties using the Uncertainty() class function
# ThermoParameterUncertainty and KineticParameterUncertainty classes may be customized and passed into this function
# if non-default constants for constructing the uncertainties are desired
uncertainty.assignParameterUncertainties()

In [10]:
T = 623 # temperature in Kelvin for which to evaluate kinetics
P = 1e5  # Pa

In [11]:
for rxn, source in uncertainty.reactionSourcesDict.iteritems():
    print '======'
    print rxn
    display(rxn)
    if 'Library' in source:
        print 'Library reaction'
    elif 'PDep' in source:
        print 'PDep reaction'
    elif 'Rate Rules' in source:
        print 'Rate rule estimate'
        family = source['Rate Rules'][0]
        sourceDict = source['Rate Rules'][1]
        originalTemplate = sourceDict['template']
        print '\tFamily = ', family
        print '\tOriginal Template = ', [group.label for group in originalTemplate]
        print '\tExact = ', sourceDict['exact']
        rules = sourceDict['rules']
        training = sourceDict['training']
        if rules:
            print '\tRate rule sources:'
            for ruleEntry, weight in rules:
                print '\t\t', ruleEntry, '=', weight
        if training:
            print '\tTraining sources:'
            for ruleEntry, trainingEntry, weight in training:
                print '\t\t', ruleEntry , 'mapped to', trainingEntry , '=', weight
    elif 'Training' in source:
        print 'Training reaction'
        family = source['Training'][0]
        training = source['Training'][1]
        print '\t Family = ', family
        print '\t\t', trainingEntry, '=', weight



    print ''
    print 'Rate coefficient at {} K = {:.2e}'.format(T, rxn.kinetics.getRateCoefficient(T,P))

    # Uncomment the following lines if you want to verify that the parsing has been performed correctly by
    # checking the values for both the original and reconstructed kinetics

#     print '---------'
#     print 'Original kinetics:'
#     print rxn.kinetics
#     print ''
#     print 'Reconstructed kinetics from parsing:'
#     reconstructedKinetics=uncertainty.database.kinetics.reconstructKineticsFromSource(rxn,source,fixBarrierHeight=True)
#     print reconstructedKinetics

    rxnIndex = uncertainty.reactionList.index(rxn)
    print 'Uncertainty dln(k) = ', uncertainty.kineticInputUncertainties[rxnIndex]


======
C[C](C)C(22) + C=C(C)CSC(C)(C)C(106) <=> DTBS(1) + [CH2]C(=C)C(39)
Rate rule estimate
	Family =  SubstitutionS
	Original Template =  ['S-Cs(NonDe)Cs(OneDe)', 'CsJ-CsCsCs']
	Exact =  False
	Rate rule sources:
		S-Cs(HHH)Cs(CdHH);HJ = 0.166666666667
		S-Cs(HHH)Cs(CdCsH);HJ = 0.166666666667
		S-Cs(HHH)Cs(CdCsCs);HJ = 0.166666666667
		S-Cs(HHH)Cs(CtHH);HJ = 0.166666666667
		S-Cs(HHH)Cs(CtCsH);HJ = 0.166666666667
		S-Cs(HHH)Cs(CtCsCs);HJ = 0.166666666667

Rate coefficient at 623 K = 1.00e+06
Uncertainty dln(k) =  3.54876285802

In [12]:
for species, source in uncertainty.speciesSourcesDict.iteritems():
    print '=========='
    print species
    display(species)
    if 'Library' in source:
        print 'Thermo Library: ', source['Library']
    if 'QM' in source:
        print 'QM: ', source['QM']
    if 'GAV' in source:
        print 'Group additivity:'
        for groupType, groupList in source['GAV'].iteritems():
            print '\t', groupType
            for group, weight in groupList:
                print '\t\t', group, '=', weight
                
    spcIndex = uncertainty.speciesList.index(species)    
    print ''
    print 'Uncertainty dG = ', uncertainty.thermoInputUncertainties[spcIndex], ' kcal/mol'


==========
C=C1CC[C]1CSS(1889)
Group additivity:
	radical
		Allyl_T = 1
	ring
		methylenecyclobutane = 1
	other
		R = 8
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Ss-SsH = 1
		Ss-SsCs = 1
		Cds-CdsCsCs = 1
		Cs-CsCsHH = 1

Uncertainty dG =  2.61007662723  kcal/mol
==========
CC1C[C](S)C2CC=1S2(4121)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsSsH = 2
		Ss-CsCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Ss-CsH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
[CH2]C1(C)CS1(649)
Group additivity:
	radical
		Cs_P = 1
	ring
		thiirane = 1
	other
		R = 5
	group
		Cs-CsCsCsSs = 1
		Ss-CsCs = 1
		Cs-CsSsHH = 1
		Cs-CsHHH = 2

Uncertainty dG =  2.09165006634  kcal/mol
==========
[CH2]C1CC(=S)CCC=1S(3712)
Group additivity:
	radical
		Allyl_P = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Cs-C=SCsHH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsSs = 1
		C=S-CsCs = 1
		Cds-CdsCsCs = 1
		Cs-CsCsHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
C=C(C)[C](SC(C)(C)C)SC(C)(C)C(484)
Group additivity:
	radical
		Allyl_P = 1
	gauche
		Ss(CsR) = 2
		Cs(RRRR) = 4
		CsOsCdSs = 1
		Cd(CsCs) = 1
		Cs(CsRRR) = 6
	group
		Cs-CsCsCsSs = 2
		Cds-CdsCsCs = 2
		Ss-CsCd = 2
		Cs-CsHHH = 4
		Cs-(Cds-Cds)HHH = 1
	other
		R = 14

Uncertainty dG =  4.472135955  kcal/mol
==========
C=C1C=C(CC)SC1=S(4867)
Group additivity:
	ring
		2,3-dihydrothiophene = 1
	other
		R = 9
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsHH = 1
		Ss-C=SCd = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
C=C1S[C]2SC1CC2C(3340)
Group additivity:
	radical
		CsJ-CsSsSs = 1
	other
		R = 9
	group
		Ss-CsCs = 1
		Cs-CsCsHH = 1
		Cds-CdsHH = 1
		Cs-CsSsSsH = 1
		Cs-CdsCsSsH = 1
		Cs-CsCsCsH = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 1
		Ss-CsCd = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
CC1[CH]C(=S)CCC=1S(3710)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Cs-C=SCsHH = 1
		C=S-CdsCs = 1
		Cs-CsCsHH = 1
		Cs-CdsCsSsH = 1
		Ss-CsH = 1
		Cds-CdsCsCs = 1
		Cds-CdsC=SH = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
CC1CC[C]2CSC=1S2(2769)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsSsH = 1
		Cs-CsCsHH = 1
		Ss-CsCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 2
		Cs-CsSsHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
C[C](C)CSSC(C)(C)C(116)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Ss(RR) = 2
		Cs(RRRR) = 2
		Cs(Cs(CsCsR)RRR) = 2
		Cs(CsRRR) = 3
		Cs(CsCsCsR) = 1
	group
		Cs-CsCsCsSs = 1
		Cs-CsCsCsH = 1
		Ss-SsCs = 2
		Cs-CsHHH = 4
	other
		R = 10

Uncertainty dG =  3.36340601177  kcal/mol
==========
C=CC1=CC2CSC=2S1(5799)
Group additivity:
	other
		R = 9
	group
		Ss-CdCd = 1
		Cs-CdsSsHH = 1
		Cds-Cds(Cds-Cds)H = 2
		Cds-CdsHH = 1
		Ss-CsCd = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-CdsCsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
C[C](C)CSC(C)(C)C(51)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Ss(CsCs) = 1
		Cs(RRRR) = 2
		Cs(Cs(CsCsR)RRR) = 2
		Cs(CsRRR) = 3
		Cs(CsCsCsR) = 1
	group
		Cs-CsCsCsSs = 1
		Ss-CsCs = 1
		Cs-CsCsCsH = 1
		Cs-CsHHH = 4
	other
		R = 9

Uncertainty dG =  3.1224989992  kcal/mol
==========
CCC1=CC(C)=C(SC[C](C)C)S1(4887)
Group additivity:
	radical
		Tertalkyl = 1
	ring
		thiophene = 1
	other
		R = 13
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsSsHH = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsCs = 1
		Cs-CsCsCsH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-CdsCsSs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 3
		Ss-CsCd = 1

Uncertainty dG =  3.75832409459  kcal/mol
==========
S8J(8)
Group additivity:
	radical
		SJ-Ss-Ss = 2
	gauche
		Ss(RR) = 8
	group
		Ss-SsSs = 6
		Ss-SsH = 2
	other
		R = 8

Uncertainty dG =  3.60555127546  kcal/mol
==========
S=C=S(1050)
Thermo Library:  77

Uncertainty dG =  2.0  kcal/mol
==========
C=C(C)[C](SS)C(C)(C)C(1432)
Group additivity:
	gauche
		Ss(RR) = 2
		Cs(Cs(CsCsCs)RRR) = 3
		CsOsCdSs = 1
		Cs(CsCsCsCs) = 1
		Cs(RRRR) = 2
		Cd(CsCs) = 1
	group
		Cs-(Cds-Cds)HHH = 1
		Ss-SsH = 1
		Cs-CsHHH = 2
		Cs-CdsCsSsH = 1
		Cds-CdsCsCs = 1
		Ss-SsCs = 1
		Cs-CsCsCsCs = 1
	other
		R = 10

Uncertainty dG =  3.22102468168  kcal/mol
==========
CC1C[C]2CCC=1SS2(3882)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsSsH = 1
		Ss-SsCd = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 1
		Cs-CsCsHH = 1
		Ss-SsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
CC12CC1(S)[CH]CC2=S(4146)
Group additivity:
	radical
		Cs_S = 1
	other
		R = 9
	group
		Sd-Cd = 1
		Cs-C=SCsCsCs = 1
		Cs-CsCsCsSs = 1
		Cs-CsCsHH = 2
		Ss-CsH = 1
		C=S-CsCs = 1
		Cs-CsHHH = 1
		Cs-C=SCsHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.85043856275  kcal/mol
==========
C=C(C)SC(C)(C)C(67)
Group additivity:
	gauche
		Ss(CsR) = 1
		Cs(RRRR) = 2
		CsOsCdSs = 2
		Cs(CsRRR) = 3
	group
		Cds-CdsHH = 1
		Cs-CsCsCsSs = 1
		Ss-CsCd = 1
		Cs-CsHHH = 2
		Cs-(Cds-Cds)HHH = 1
	other
		R = 8

Uncertainty dG =  2.80624304008  kcal/mol
==========
C[C]1SC(=S)C2(C)CC12(3202)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Sd-Cd = 1
		Cs-C=SCsCsCs = 1
		Cs-CsCsSsH = 1
		Cs-CsCsHH = 1
		Cs-CsCsCsH = 1
		Ss-C=SCs = 1
		Cs-CsHHH = 2
		C=S-CsSs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.85043856275  kcal/mol
==========
C=C(C)S[S](502)
Group additivity:
	radical
		SJ-Ss-Cs = 1
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(RR) = 2
	group
		Cs-(Cds-Cds)HHH = 1
		Ss-SsCd = 1
		Ss-SsH = 1
		Cds-CdsCsSs = 1
	other
		R = 5

Uncertainty dG =  2.16506350946  kcal/mol
==========
[CH2]C(=C)SC(=S)C(=C)C(1719)
Group additivity:
	radical
		Allyl_P = 1
	gauche
		Cs(RRRR) = 2
		CsOsCdSs = 4
		Ss(RR) = 1
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsHH = 2
		Ss-C=SCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsC=SCs = 1
	other
		R = 9

Uncertainty dG =  3.08220700148  kcal/mol
==========
CC12CC=C(C1)S[C]2S(3112)
Group additivity:
	radical
		CsJ-CsSsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 2
		Cs-CsHHH = 1
		Ss-CsCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-CsCsCsCs = 1
		Ss-CsH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
S2JJ(13)
Thermo Library:  16

Uncertainty dG =  2.0  kcal/mol
==========
C=C1CSS1(1572)
Group additivity:
	ring
		1,2-dithietane = 1
	other
		R = 5
	group
		Cs-CdsSsHH = 1
		Ss-SsCd = 1
		Cds-CdsHH = 1
		Ss-SsCs = 1
		Cds-CdsCsSs = 1

Uncertainty dG =  2.04633819297  kcal/mol
==========
C=C(C)CSC(C)(C)C(106)
Group additivity:
	gauche
		Ss(CsCs) = 1
		Cs(RRRR) = 3
		CsOsCdSs = 1
		Cd(CsCs) = 1
		Cs(CsRRR) = 3
	group
		Cs-CdsSsHH = 1
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Ss-CsCs = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 2
	other
		R = 9

Uncertainty dG =  3.03108891325  kcal/mol
==========
[CH2]CC1=CC(C)=C(S)S1(4532)
Group additivity:
	radical
		RCCJ = 1
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
C=C(C)C(=S)C(C)(C)C(507)
Group additivity:
	gauche
		Cs(RRRR) = 2
		CsOsCdSs = 2
		Cs(CsRRR) = 3
	group
		Sd-Cd = 1
		Cs-C=SCsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		C=S-CdsCs = 1
		Cs-CsHHH = 2
	other
		R = 9

Uncertainty dG =  2.98956518578  kcal/mol
==========
C=[C]C1=CC(C)=C(S)S1(5300)
Group additivity:
	radical
		C=CJC=C = 1
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsCs = 2
		Ss-CdH = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
CC1CC([S])=CCC=1S(3592)
Group additivity:
	radical
		SJ-Cd = 1
	ring
		1,4-Cyclohexadiene = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)(Cds-Cds)HH = 2
		Cds-CdsCsSs = 2
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.86138078556  kcal/mol
==========
[CH2]C(=C)SS(1409)
Group additivity:
	radical
		Allyl_P = 1
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(RR) = 2
	group
		Cs-(Cds-Cds)HHH = 1
		Ss-SsCd = 1
		Ss-SsH = 1
		Cds-CdsCsSs = 1
	other
		R = 5

Uncertainty dG =  2.16506350946  kcal/mol
==========
C=C1C2[C](CC)SC12S(5101)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cds-CdsHH = 1
		Cs-CsCsCsCs = 1
		Ss-CsCs = 1
		Cs-CsCsSsH = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
[CH2]C1(C)SS1(1407)
Group additivity:
	radical
		Cs_P = 1
	ring
		dithiirane = 1
	other
		R = 5
	group
		Ss-SsCs = 2
		Cs-CsCsSsSs = 1
		Cs-CsHHH = 2

Uncertainty dG =  2.12132034356  kcal/mol
==========
[CH2]C(=C)C(39)
Group additivity:
	radical
		Allyl_P = 1
	gauche
		Cs(RRRR) = 2
		CsOsCdSs = 1
		Cd(CsCs) = 1
	group
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsHH = 1
		Cds-CdsCsCs = 1
	other
		R = 4

Uncertainty dG =  2.01556443707  kcal/mol
==========
C=C(C)C=S(224)
Thermo Library:  49

Uncertainty dG =  2.0  kcal/mol
==========
C=C(C)CS(83)
Group additivity:
	gauche
		Ss(CsH) = 1
		Cs(RRRR) = 2
		CsOsCdSs = 1
		Cd(CsCs) = 1
	group
		Cs-CdsSsHH = 1
		Ss-CsH = 1
		Cds-CdsHH = 1
		Cs-(Cds-Cds)HHH = 1
	other
		R = 5

Uncertainty dG =  2.12132034356  kcal/mol
==========
C=CC1=CC(C)=C(S)S1(3562)
Group additivity:
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsCs = 2
		Ss-CdH = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
C=C(C)[C](SSC(C)(C)C)C(C)(C)C(525)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	gauche
		Cs(CsRRR) = 3
		Ss(RR) = 2
		Cs(Cs(CsCsCs)RRR) = 3
		CsOsCdSs = 1
		Cs(CsCsCsCs) = 1
		Cs(RRRR) = 3
		Cd(CsCs) = 1
	group
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Cs-CsHHH = 6
		Cs-(Cds-Cds)HHH = 1
		Ss-SsCs = 2
		Cs-CsCsCsCs = 1
	other
		R = 14

Uncertainty dG =  4.40879802214  kcal/mol
==========
[CH2]C(=C)C[CH]C1=CC(=C)C(=S)S1(5771)
Group additivity:
	radical
		Allyl_P = 1
		C=CC=CCJ = 1
	ring
		2,5-dihydrothiophene = 1
	other
		R = 12
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsHH = 1
		Ss-C=SCd = 1
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsC=SCs = 1

Uncertainty dG =  3.51781181987  kcal/mol
==========
C=C1C[C]2CCC1(S)S2(4426)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Cs-CsCsCsCs = 1
		Ss-CsCs = 1
		Cs-CsCsSsH = 1
		Cds-CdsCsCs = 1
		Cs-CsCsHH = 2
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
C=C(C)SS(189)
Group additivity:
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(RR) = 2
	group
		Cs-(Cds-Cds)HHH = 1
		Ss-SsCd = 1
		Ss-SsH = 1
		Cds-CdsCsSs = 1
	other
		R = 5

Uncertainty dG =  2.15058131676  kcal/mol
==========
C[C](C)CSC1SC(C)=CCC=1C(3220)
Group additivity:
	radical
		Tertalkyl = 1
	ring
		Cyclohexane = 1
	other
		R = 13
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsSs = 1
		Cs-CsSsHH = 1
		Cds-CdsCsH = 1
		Cs-CsCsCsH = 1
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsCsCs = 2
		Cs-CsHHH = 1
		Ss-CsCd = 1

Uncertainty dG =  3.73329613077  kcal/mol
==========
[CH2]C(=C)CS(546)
Group additivity:
	radical
		Allyl_P = 1
	gauche
		Ss(CsH) = 1
		Cs(RRRR) = 2
		CsOsCdSs = 1
		Cd(CsCs) = 1
	group
		Cs-CdsSsHH = 1
		Ss-CsH = 1
		Cds-CdsHH = 1
		Cs-(Cds-Cds)HHH = 1
	other
		R = 5

Uncertainty dG =  2.13600093633  kcal/mol
==========
C[C](C)S[S](102)
Group additivity:
	radical
		SJ-Ss-Cs = 1
	gauche
		Ss(RR) = 2
		Cs(RRRR) = 1
		Cs(CsRRR) = 2
	group
		Ss-SsCs = 1
		Cs-CsCsSsH = 1
		Ss-SsH = 1
		Cs-CsHHH = 2
	other
		R = 5

Uncertainty dG =  2.20794021658  kcal/mol
==========
C[CH]C12C=C(C)C1(S)S2(5012)
Group additivity:
	radical
		Cs_S = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)HHH = 1
		Cs-CsCsHH = 1
		Cs-CsCsCsCs = 2
		Ss-CsCs = 1
		Cds-CdsCsCs = 1
		Cds-CdsCsH = 1
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
C4H8JSH(14)
Thermo Library:  7
Group additivity:
	radical
		Cs_P = 1

Uncertainty dG =  2.51246890528  kcal/mol
==========
CC1(C)SS1(1616)
Group additivity:
	ring
		dithiirane = 1
	other
		R = 5
	group
		Ss-SsCs = 2
		Cs-CsCsSsSs = 1
		Cs-CsHHH = 2

Uncertainty dG =  2.10653744329  kcal/mol
==========
HSJ(16)
Thermo Library:  19

Uncertainty dG =  2.0  kcal/mol
==========
CC1CC(=S)[CH]CC1=S(3904)
Group additivity:
	radical
		SJ-Cd = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Sd-Cd = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsHH = 1
		Cs-C=SCsCsH = 1
		Cds-CdsCsH = 1
		C=S-CsCs = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
[CH2]C1C=C(C=C)SC=1[S](5314)
Group additivity:
	radical
		SJ-Cd = 1
		Allyl_P = 1
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsCs = 2
		Ss-CdH = 1

Uncertainty dG =  2.85043856275  kcal/mol
==========
C[C](C)CSC1CC=C(S)CC=1C(4157)
Group additivity:
	radical
		Tertalkyl = 1
	ring
		1,4-Cyclohexadiene = 1
	other
		R = 13
	group
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsSs = 2
		Cs-CsSsHH = 1
		Cds-CdsCsH = 1
		Cs-CsCsCsH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 1
		Ss-CdH = 1
		Cs-CsHHH = 2
		Ss-CsCd = 1

Uncertainty dG =  3.73329613077  kcal/mol
==========
HSSH(17)
Thermo Library:  20

Uncertainty dG =  2.0  kcal/mol
==========
[CH2]C(C)(C)SC1SC(=CC=1C)CC(4886)
Group additivity:
	radical
		Cs_P = 1
	ring
		thiophene = 1
	other
		R = 13
	group
		Ss-CdCd = 1
		Cs-CsCsCsSs = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsCs = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 4
		Ss-CsCd = 1

Uncertainty dG =  3.80788655293  kcal/mol
==========
CC1C[CH]C2(C)SC=1S2(3177)
Group additivity:
	radical
		Cs_S = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsHH = 1
		Cs-CsCsSsSs = 1
		Ss-CsCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
Ar
Thermo Library:  0

Uncertainty dG =  2.0  kcal/mol
==========
C=C(C)[C]=S(280)
Thermo Library:  49
Group additivity:
	radical
		C=SJ-Cd = 1

Uncertainty dG =  2.51246890528  kcal/mol
==========
[CH2]C(=C)C[C](C)C(=S)C(C)(C)C(1749)
Group additivity:
	radical
		Allyl_P = 1
		SJ-Cd = 1
	gauche
		Ss(RR) = 1
		CsOsCdSs = 2
		Cs(Cs(CsCsR)RRR) = 3
		Cs(RRRR) = 3
		Cd(CsCs) = 2
		Cs(CsCsCsR) = 1
	group
		Cs-(Cds-Cds)CsCsCs = 1
		Cds-CdsHH = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsCsSs = 1
		Cs-CsHHH = 3
		Ss-CdH = 1
	other
		R = 12

Uncertainty dG =  3.80788655293  kcal/mol
==========
CC1(C)CSS1(190)
Group additivity:
	ring
		1,2-dithietane = 1
	other
		R = 6
	group
		Cs-CsCsCsSs = 1
		Cs-CsSsHH = 1
		Ss-SsCs = 2
		Cs-CsHHH = 2

Uncertainty dG =  2.27760839479  kcal/mol
==========
CCC1=CC(C)=C([S])S1(4756)
Group additivity:
	radical
		SJ-Cd = 1
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
He
Thermo Library:  1

Uncertainty dG =  2.0  kcal/mol
==========
CC1CC(S)=CCC=1[S](3679)
Group additivity:
	radical
		SJ-Cd = 1
	ring
		1,4-Cyclohexadiene = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)(Cds-Cds)HH = 2
		Cds-CdsCsSs = 2
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.86138078556  kcal/mol
==========
[CH2]C1SC2SC1=CC=2C(5292)
Group additivity:
	radical
		Cs_P = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-Cds(Cds-Cds)H = 1
		Cs-CdsCsSsH = 1
		Ss-CsCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
C=C([S])CCC(C)=C=S(2880)
Group additivity:
	radical
		SJ-Cd = 1
	gauche
		Ss(RR) = 1
		Cs(CsRRR) = 2
		CsOsCdSs = 3
		Cs(RRRR) = 1
	group
		Cs-(Cds-Cds)CsHH = 2
		Cds-CdsHH = 1
		Cds-CdsCsSs = 1
		Ss-CsCs = 1
		Cdd-CdSd = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Ss-CdH = 1
	other
		R = 9

Uncertainty dG =  3.0  kcal/mol
==========
Ne
Thermo Library:  2

Uncertainty dG =  2.0  kcal/mol
==========
N2
Thermo Library:  3

Uncertainty dG =  2.0  kcal/mol
==========
C=C([CH]SC(C)(C)C)CS(759)
Group additivity:
	radical
		CsJ-CdSsH = 1
	gauche
		Cs(CsRRR) = 3
		Ss(CsH) = 1
		Cs(RRRR) = 3
		CsOsCdSs = 1
		Ss(CsCs) = 1
		Cd(CsCs) = 1
	group
		Cs-CdsSsHH = 1
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Ss-CsH = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 2
	other
		R = 10

Uncertainty dG =  3.2403703492  kcal/mol
==========
[CH2]C(C)(C)SSC(=C)C(1436)
Group additivity:
	radical
		Cs_P = 1
	gauche
		Ss(RR) = 2
		Cs(RRRR) = 2
		CsOsCdSs = 2
		Cs(CsRRR) = 3
	group
		Cds-CdsHH = 1
		Cs-CsCsCsSs = 1
		Cs-CsHHH = 2
		Ss-SsCs = 1
		Cs-(Cds-Cds)HHH = 1
	other
		R = 9

Uncertainty dG =  3.03108891325  kcal/mol
==========
DTBS(1)
Group additivity:
	int15
		Ss(Cs(CsCsCs)Cs(CsCsCs)) = 1
	gauche
		Ss(CsCs) = 1
		Cs(RRRR) = 2
		Cs(CsRRR) = 6
	group
		Cs-CsCsCsSs = 2
		Cs-CsHHH = 4
	other
		R = 9

Uncertainty dG =  3.34477204006  kcal/mol
==========
C[C](C)CSC1CCC(=S)CC=1C(3915)
Group additivity:
	radical
		Tertalkyl = 1
	ring
		Cyclohexane = 1
	other
		R = 13
	group
		Sd-Cd = 1
		Cs-C=SCsHH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsHHH = 2
		C=S-CsCs = 1
		Cs-CsCsCsH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 1
		Cs-CsSsHH = 1
		Ss-CsCd = 1

Uncertainty dG =  3.70809924355  kcal/mol
==========
CC1([C]=S)CCC(=S)C1(2962)
Group additivity:
	radical
		C=SJ-Cs = 1
	ring
		Cyclopentane = 1
	other
		R = 9
	group
		Sd-Cd = 2
		Cs-C=SCsCsCs = 1
		C=S-CsCs = 1
		Cs-CsCsHH = 1
		C=S-CsH = 1
		Cs-CsHHH = 1
		Cs-C=SCsHH = 2

Uncertainty dG =  2.87228132327  kcal/mol
==========
CC1CC2=CC[C]1SS2(4039)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsSsH = 1
		Cs-CsCsCsH = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-CsHHH = 1
		Ss-SsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
H2S(2)
Thermo Library:  5

Uncertainty dG =  2.0  kcal/mol
==========
C=C1[C]2SC(S)=C(C)C21(5546)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cs-(Cds-Cds)(Cds-Cds)CsH = 1
		Cs-CdsCsSsH = 1
		Ss-CsCd = 1
		Ss-CdH = 1
		Cds-CdsCsCs = 3
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8939592257  kcal/mol
==========
C=C1CCC(C)([C]=S)S1(2882)
Group additivity:
	radical
		C=SJ-Cs = 1
	ring
		thiolane = 1
	other
		R = 9
	group
		Sd-Cd = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsHH = 1
		Cds-CdsHH = 1
		Cs-CsCsCsCs = 1
		Ss-CsCd = 1
		Cds-CdsCsSs = 1
		C=S-CsH = 1
		Cs-CsHHH = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
C4H8(3)
Group additivity:
	gauche
		Cs(RRRR) = 2
		CsOsCdSs = 1
		Cd(CsCs) = 1
	group
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsHH = 1
		Cds-CdsCsCs = 1
	other
		R = 4

Uncertainty dG =  2.0  kcal/mol
==========
CC[C]1SC(S)=C2CC12(5080)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cs-CsCsSsH = 1
		Cs-CsCsHH = 1
		Ss-CsCd = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
C=C(C)[CH]SS(290)
Group additivity:
	radical
		CsJ-CdSsH = 1
	gauche
		Ss(RR) = 2
		Cs(RRRR) = 2
		CsOsCdSs = 1
		Cd(CsCs) = 1
	group
		Cs-CdsSsHH = 1
		Cds-CdsHH = 1
		Ss-SsCs = 1
		Cs-(Cds-Cds)HHH = 1
	other
		R = 6

Uncertainty dG =  2.33184476327  kcal/mol
==========
CC(=CSC(C)(C)C)CSC(C)(C)C(253)
Group additivity:
	gauche
		Cs(CsRRR) = 6
		Cs(RRRR) = 4
		Ss(CsR) = 1
		CsOsCdSs = 1
		Ss(CsCs) = 1
		Cd(CsCs) = 1
	group
		Cs-CsCsCsSs = 2
		Ss-CsCs = 1
		Ss-CsCd = 1
		Cds-CdsSsH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 4
	other
		R = 14

Uncertainty dG =  4.42295150324  kcal/mol
==========
[CH2]C(=C)C[C](C=S)CS(1698)
Group additivity:
	radical
		SJ-Cd = 1
		Allyl_P = 1
	gauche
		Ss(CsH) = 1
		Cs(RRRR) = 3
		Ss(RR) = 1
		CsOsCdSs = 2
		Cd(CsCs) = 2
	group
		Cs-CdsSsHH = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsHH = 1
		Cds-CdsCsCs = 2
		Ss-CsH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsSsH = 1
		Ss-CdH = 1
	other
		R = 9

Uncertainty dG =  3.05163890393  kcal/mol
==========
C4H9SH(4)
Thermo Library:  7

Uncertainty dG =  2.0  kcal/mol
==========
C[C]1CSS1(551)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	ring
		1,2-dithietane = 1
	other
		R = 5
	group
		Cs-CsHHH = 1
		Cs-CsCsSsH = 1
		Ss-SsCs = 2
		Cs-CsSsHH = 1

Uncertainty dG =  2.09165006634  kcal/mol
==========
C=C[C]1SC(=S)[C]2CC12(5740)
Group additivity:
	radical
		SJ-Cd = 1
		CsJ-CsCdSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Cs-CdsCsSsH = 1
		Ss-CsCd = 1
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Ss-CdH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
C=C1CC[C]1CSC(=S)C(=C)C(1963)
Group additivity:
	radical
		Allyl_T = 1
	ring
		methylenecyclobutane = 1
	other
		R = 12
	group
		Cs-(Cds-Cds)CsCsH = 1
		C=S-CsSs = 1
		Sd-Cd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 2
		Cs-CsCsHH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cds-CdsC=SCs = 1
		Ss-C=SCs = 1

Uncertainty dG =  3.49106001094  kcal/mol
==========
C4H10(5)
Group additivity:
	gauche
		Cs(CsCsCsR) = 1
		Cs(Cs(CsCsR)RRR) = 3
	group
		Cs-CsCsCsH = 1
		Cs-CsHHH = 2
	other
		R = 4

Uncertainty dG =  2.04633819297  kcal/mol
==========
CCC12[CH]C1(C)C(=S)S2(4856)
Group additivity:
	radical
		cyclopropane = 1
	other
		R = 9
	group
		Sd-Cd = 1
		Cs-C=SCsCsCs = 1
		Cs-CsCsCsSs = 1
		Cs-CsCsHH = 2
		Ss-C=SCs = 1
		Cs-CsHHH = 2
		C=S-CsSs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.87228132327  kcal/mol
==========
CC1CC=C2CS[C]1S2(3326)
Group additivity:
	radical
		CsJ-CsSsSs = 1
	other
		R = 9
	group
		Cs-CdsSsHH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsSsSsH = 1
		Ss-CsCs = 1
		Cs-CsCsCsH = 1
		Cds-CdsCsH = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 1
		Ss-CsCd = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
[CH2]C(C)(C)SC1SC(C=C)=CC=1C(5364)
Group additivity:
	radical
		Cs_P = 1
	ring
		thiophene = 1
	other
		R = 13
	group
		Ss-CdCd = 1
		Cds-Cds(Cds-Cds)H = 2
		Cds-CdsHH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Ss-CsCd = 1
		Cs-CsCsCsSs = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 3

Uncertainty dG =  3.79143772203  kcal/mol
==========
C=C1CC[C](C)C(=S)S1(2711)
Group additivity:
	radical
		SJ-Cd = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-CdsHH = 1
		Cds-CdsCsSs = 1
		Cs-(Cds-Cds)CsHH = 2
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.87228132327  kcal/mol
==========
S8(6)
Thermo Library:  9

Uncertainty dG =  2.0  kcal/mol
==========
C=C1CC[C]1CS[S](1852)
Group additivity:
	radical
		Allyl_T = 1
		SJ-Ss-Cs = 1
	ring
		methylenecyclobutane = 1
	other
		R = 8
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Ss-SsH = 1
		Ss-SsCs = 1
		Cds-CdsCsCs = 1
		Cs-CsCsHH = 1

Uncertainty dG =  2.62202212043  kcal/mol
==========
CC(=CSC(C)(C)C)C[S](561)
Group additivity:
	radical
		SJ-Cs = 1
	gauche
		Cs(CsRRR) = 3
		Ss(CsH) = 1
		Ss(CsR) = 1
		CsOsCdSs = 1
		Cs(RRRR) = 3
		Cd(CsCs) = 1
	group
		Cs-CdsSsHH = 1
		Cs-CsCsCsSs = 1
		Ss-CsCd = 1
		Cds-CdsSsH = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 2
		Ss-CsH = 1
	other
		R = 10

Uncertainty dG =  3.25  kcal/mol
==========
CC[C]1SC2SC1C=2C(4832)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)HHH = 1
		Cs-CsCsSsH = 1
		Cs-CsCsHH = 1
		Cs-CdsCsSsH = 1
		Ss-CsCd = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
C=[C]CSC(=S)C(=C)C(1718)
Group additivity:
	radical
		Cds_S = 1
	gauche
		Cs(RRRR) = 2
		CsOsCdSs = 4
		Ss(RR) = 1
	group
		Cs-CdsSsHH = 1
		C=S-CsSs = 1
		Sd-Cd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 2
		Ss-C=SCs = 1
		Cds-CdsCsH = 1
	other
		R = 9

Uncertainty dG =  3.05163890393  kcal/mol
==========
S6J(7)
Group additivity:
	radical
		SJ-Ss-Ss = 2
	gauche
		Ss(RR) = 6
	group
		Ss-SsSs = 4
		Ss-SsH = 2
	other
		R = 6

Uncertainty dG =  2.87228132327  kcal/mol
==========
[CH2]C1CSSCC=1[CH2](2071)
Group additivity:
	radical
		Allyl_P = 2
	ring
		Cyclohexane = 1
	other
		R = 8
	group
		Cs-CdsSsHH = 2
		Cds-CdsCsCs = 2
		Ss-SsCs = 2
		Cs-(Cds-Cds)HHH = 1

Uncertainty dG =  2.7156951228  kcal/mol
==========
C[C]1CC(=S)C2CC12S(3705)
Group additivity:
	radical
		Tertalkyl = 1
	other
		R = 9
	group
		Sd-Cd = 1
		Cs-C=SCsHH = 1
		Cs-CsCsCsSs = 1
		Cs-CsCsHH = 1
		Cs-CsCsCsH = 1
		Cs-C=SCsCsH = 1
		C=S-CsCs = 1
		Cs-CsHHH = 1
		Ss-CsH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
CC(=C=S)C[S](976)
Group additivity:
	radical
		SJ-Cs = 1
	gauche
		Cs(RRRR) = 2
		CsOsCdSs = 1
		Ss(CsH) = 1
	group
		Cs-CdsSsHH = 1
		Ss-CsCs = 1
		Ss-CsH = 1
		Cdd-CdSd = 1
		Cs-(Cds-Cds)HHH = 1
	other
		R = 6

Uncertainty dG =  2.29128784748  kcal/mol
==========
[CH2]C(=C)C[C](C)C=S(1668)
Group additivity:
	radical
		SJ-Cd = 1
		Allyl_P = 1
	gauche
		Ss(RR) = 1
		Cs(RRRR) = 3
		CsOsCdSs = 2
		Cd(CsCs) = 2
	group
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsSsH = 1
		Cds-CdsHH = 1
		Ss-CdH = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 2
	other
		R = 8

Uncertainty dG =  2.87228132327  kcal/mol
==========
[CH2]C=C1C=C(C)C(=S)S1(5247)
Group additivity:
	radical
		SJ-Cd = 1
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsCs = 2
		Ss-CdH = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
C=C(C)C([S])(S)C(C)(C)C(537)
Group additivity:
	radical
		SJ-Cs = 1
	gauche
		Ss(CsH) = 2
		Cs(Cs(CsCsCs)RRR) = 3
		CsOsCdSs = 1
		Cs(CsCsCsCs) = 1
		Cs(RRRR) = 2
		Cd(CsCs) = 1
	group
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 1
		Ss-CsH = 2
		Cs-CsCsCsCs = 2
		Cs-CsHHH = 2
	other
		R = 10

Uncertainty dG =  3.26917420766  kcal/mol
==========
C=C1[CH]CC(C)C(=S)S1(2878)
Group additivity:
	radical
		Allyl_P = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		C=S-CsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Ss-C=SCd = 1
		Cs-CsHHH = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-C=SCsCsH = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
C=C(C)C(=S)SC(C)(C)C(393)
Group additivity:
	gauche
		Ss(RR) = 1
		Cs(RRRR) = 2
		CsOsCdSs = 2
		Cs(CsRRR) = 3
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Cs-(Cds-Cds)HHH = 1
		Ss-C=SCs = 1
		Cs-CsHHH = 2
	other
		R = 10

Uncertainty dG =  3.20156211872  kcal/mol
==========
C[C](C)C(22)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Cs(CsCsCsR) = 1
		Cs(Cs(CsCsR)RRR) = 3
	group
		Cs-CsCsCsH = 1
		Cs-CsHHH = 2
	other
		R = 4

Uncertainty dG =  2.06155281281  kcal/mol
==========
S6(9)
Thermo Library:  12

Uncertainty dG =  2.0  kcal/mol
==========
[CH2]C1CC(=C)SC2SC1=CC=2C(6292)
Group additivity:
	radical
		Isobutyl = 1
	other
		R = 12
	group
		Ss-CdCd = 2
		Cs-(Cds-Cds)CsCsH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-CdsHH = 1
		Cds-Cds(Cds-Cds)H = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsSs = 2
		Cds-CdsCsCs = 1
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  3.5089172119  kcal/mol
==========
CC1=C[C]2CCC1(S)S2(4510)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	other
		R = 9
	group
		Ss-CsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsCsHH = 2
		Cs-CdsCsSsH = 1
		Cds-CdsCsCs = 1
		Cds-CdsCsH = 1
		Cs-CsCsCsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
S4(11)
Thermo Library:  14

Uncertainty dG =  2.0  kcal/mol
==========
C=C[C]1SC2SC1C=2C(5290)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cs-CdsCsSsH = 2
		Ss-CsCd = 1
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
C[C]1CC2=CCC1(S)S2(3581)
Group additivity:
	radical
		Tertalkyl = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsSsSs = 1
		Cs-CsCsCsH = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-CsHHH = 1
		Ss-CsCd = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
S4J(10)
Group additivity:
	radical
		SJ-Ss-Ss = 2
	gauche
		Ss(RR) = 4
	group
		Ss-SsSs = 2
		Ss-SsH = 2
	other
		R = 4

Uncertainty dG =  2.2360679775  kcal/mol
==========
C1CC2CSSCC=21(2064)
Group additivity:
	other
		R = 8
	group
		Cs-(Cds-Cds)CsHH = 2
		Cds-CdsCsCs = 2
		Ss-SsCs = 2
		Cs-CdsSsHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.66926956301  kcal/mol
==========
C=C1[CH]C2(CC)SC12S(5102)
Group additivity:
	radical
		Allyl_S = 1
	other
		R = 9
	group
		Cs-CsCsCsSs = 1
		Cs-CsCsHH = 1
		Cds-CdsHH = 1
		Cs-CsCsCsCs = 1
		Ss-CsCs = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
C[C](C)CS(28)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Ss(Cs(CsHH)H) = 1
		Cs(CsCsCsR) = 1
		Cs(Cs(CsCsR)RRR) = 2
		Cs(RRRR) = 1
	group
		Cs-CsHHH = 1
		Ss-CsH = 1
		Cs-CsCsCsH = 1
		Cs-CsSsHH = 1
	other
		R = 5

Uncertainty dG =  2.13600093633  kcal/mol
==========
C[C](CS)CSC(C)(C)C(148)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Cs(CsRRR) = 3
		Cs(RRRR) = 3
		Ss(Cs(CsHH)H) = 1
		Cs(Cs(CsCsR)RRR) = 1
		Ss(CsCs) = 1
		Cs(CsCsCsR) = 1
	group
		Cs-CsCsCsSs = 1
		Cs-CsHHH = 3
		Ss-CsH = 1
		Cs-CsCsCsH = 1
		Cs-CsSsHH = 1
	other
		R = 10

Uncertainty dG =  3.27871926215  kcal/mol
==========
C=C(C)C[S](133)
Group additivity:
	gauche
		Ss(CsH) = 1
		Cs(RRRR) = 2
		CsOsCdSs = 1
		Cd(CsCs) = 1
	group
		Cs-CdsSsHH = 1
		Ss-CsH = 1
		Cds-CdsHH = 1
		Cs-(Cds-Cds)HHH = 1
	other
		R = 5

Uncertainty dG =  2.12132034356  kcal/mol
==========
[CH2]C(=C)S[C](C(=C)C)C(C)(C)C(1751)
Group additivity:
	radical
		Allyl_P = 1
		CsJ-CsCdSs = 1
	gauche
		Ss(CsR) = 1
		CsOsCdSs = 3
		Cs(CsCsCsCs) = 1
		Cs(RRRR) = 3
		Cs(Cs(CsCsCs)RRR) = 3
		Cd(CsCs) = 1
	group
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsHH = 2
		Cs-CsHHH = 2
		Cs-CdsCsSsH = 1
		Ss-CsCd = 1
		Cds-CdsCsCs = 1
		Cds-CdsCsSs = 1
		Cs-CsCsCsCs = 1
	other
		R = 12

Uncertainty dG =  3.78318648761  kcal/mol
==========
C4H9SJ(15)
Thermo Library:  18

Uncertainty dG =  2.0  kcal/mol
==========
CC(CSC(C)(C)C)=C(S)C(C)(C)C(6115)
Group additivity:
	gauche
		Cs(CsRRR) = 3
		Ss(CsCs) = 1
		Ss(RR) = 1
		CsOsCdSs = 1
		Cs(Cs(CsCsR)RRR) = 3
		Cs(RRRR) = 3
		Cd(CsCs) = 1
		Cs(CsCsCsR) = 1
	group
		Cs-CdsSsHH = 1
		Cs-(Cds-Cds)CsCsCs = 1
		Ss-CsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 1
		Cs-CsCsCsSs = 1
		Cs-CsHHH = 5
	other
		R = 14

Uncertainty dG =  4.29389100933  kcal/mol
==========
SC1CC[C]2CC=1CS2(4411)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-CdsSsHH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsSsH = 1
		Ss-CsCs = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsCs = 1
		Cs-CsCsHH = 1
		Ss-CdH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
[CH2]C(C)(S)CS(188)
Group additivity:
	radical
		Cs_P = 1
	gauche
		Ss(Cs(CsHH)H) = 1
		Cs(RRRR) = 2
		Ss(CsH) = 1
		Cs(CsRRR) = 2
	group
		Cs-CsCsCsSs = 1
		Ss-CsH = 2
		Cs-CsSsHH = 1
		Cs-CsHHH = 1
	other
		R = 6

Uncertainty dG =  2.37170824513  kcal/mol
==========
CC=C1C=C(C)C(=S)S1(4857)
Group additivity:
	ring
		2,5-dihydrothiophene = 1
	other
		R = 9
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cds-Cds(Cds-Cds)H = 1
		Ss-C=SCd = 1
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsCsH = 1
		Cds-CdsC=SCs = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
CC(=S)[CH]CC(C)=C=S(3017)
Group additivity:
	radical
		SJ-Cd = 1
	gauche
		Cs(RRRR) = 3
		CsOsCdSs = 3
		Ss(RR) = 1
	group
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsSs = 1
		Ss-CsCs = 1
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 2
		Cdd-CdSd = 1
		Ss-CdH = 1
	other
		R = 9

Uncertainty dG =  3.04138126515  kcal/mol
==========
C[C](CSC(C)(C)C)C(=S)C(C)(C)C(1429)
Group additivity:
	radical
		SJ-Cd = 1
	gauche
		Cs(CsRRR) = 3
		Ss(CsCs) = 1
		Ss(RR) = 1
		CsOsCdSs = 1
		Cs(Cs(CsCsR)RRR) = 3
		Cs(RRRR) = 3
		Cd(CsCs) = 1
		Cs(CsCsCsR) = 1
	group
		Cs-CdsSsHH = 1
		Cs-(Cds-Cds)CsCsCs = 1
		Ss-CsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 1
		Cs-CsCsCsSs = 1
		Cs-CsHHH = 5
	other
		R = 14

Uncertainty dG =  4.30116263352  kcal/mol
==========
CC12CC[C](C1)SC2=S(2830)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Sd-Cd = 1
		Cs-C=SCsCsCs = 1
		Cs-CsCsSsH = 1
		Cs-CsCsHH = 3
		Ss-C=SCs = 1
		Cs-CsHHH = 1
		C=S-CsSs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8939592257  kcal/mol
==========
C[C](C)CS[S](140)
Group additivity:
	radical
		SJ-Ss-Cs = 1
		Tertalkyl = 1
	gauche
		Ss(RR) = 2
		Cs(CsCsCsR) = 1
		Cs(Cs(CsCsR)RRR) = 2
		Cs(RRRR) = 1
	group
		Cs-CsHHH = 1
		Ss-SsH = 1
		Cs-CsCsCsH = 1
		Ss-SsCs = 1
		Cs-CsSsHH = 1
	other
		R = 6

Uncertainty dG =  2.35849528301  kcal/mol
==========
CC=C1[CH]C(C)=C(S)S1(3586)
Group additivity:
	radical
		Allyl_S = 1
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
[CH2]C1CC2C=C1SC=2[S](5788)
Group additivity:
	radical
		CsJ-CsCdSs = 1
		Isobutyl = 1
	other
		R = 9
	group
		C=S-CsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-CdsCsSsH = 1
		Cs-CsCsCsH = 1
		Ss-C=SCs = 1
		Cds-CdsCsH = 1
		Cds-CdsC=SCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
[CH2]C(C)(C)SC(C)(C)C(23)
Group additivity:
	int15
		Ss(Cs(CsCsCs)Cs(CsCsCs)) = 1
	radical
		Cs_P = 1
	gauche
		Ss(CsCs) = 1
		Cs(RRRR) = 2
		Cs(CsRRR) = 6
	group
		Cs-CsCsCsSs = 2
		Cs-CsHHH = 4
	other
		R = 9

Uncertainty dG =  3.35410196625  kcal/mol
==========
C=CC1=CC(C)=C(SC[C](C)C)S1(5365)
Group additivity:
	radical
		Tertalkyl = 1
	ring
		thiophene = 1
	other
		R = 13
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cs-CsSsHH = 1
		Cds-Cds(Cds-Cds)H = 2
		Cs-CsCsCsH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 2
		Ss-CsCd = 1

Uncertainty dG =  3.75832409459  kcal/mol
==========
C=C1CC[C]1CSSC(C)(C)C(1885)
Group additivity:
	radical
		Allyl_T = 1
	ring
		methylenecyclobutane = 1
	other
		R = 12
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cs-CsCsCsSs = 1
		Cs-CsCsHH = 1
		Cds-CdsHH = 1
		Cs-CsHHH = 3
		Ss-SsCs = 2
		Cs-CsSsHH = 1

Uncertainty dG =  3.53553390593  kcal/mol
==========
C[C](C)CSC1=CCC(S)=C(C)C1(3724)
Group additivity:
	radical
		Tertalkyl = 1
	ring
		1,4-Cyclohexadiene = 1
	other
		R = 13
	group
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsSs = 2
		Cs-CsSsHH = 1
		Cds-CdsCsH = 1
		Cs-CsCsCsH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 1
		Ss-CdH = 1
		Cs-CsHHH = 2
		Ss-CsCd = 1

Uncertainty dG =  3.73329613077  kcal/mol
==========
C=C(C[S])CSC(C)(C)C(763)
Group additivity:
	radical
		SJ-Cs = 1
	gauche
		Cs(CsRRR) = 3
		Ss(CsH) = 1
		Cs(RRRR) = 3
		CsOsCdSs = 1
		Ss(CsCs) = 1
		Cd(CsCs) = 1
	group
		Cs-CdsSsHH = 1
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Ss-CsH = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 2
	other
		R = 10

Uncertainty dG =  3.2403703492  kcal/mol
==========
CC1CC2(S)[CH]CC=1S2(4122)
Group additivity:
	radical
		Cs_S = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsHH = 1
		Cds-CdsCsCs = 1
		Ss-CsCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 1
		Cs-CsCsSsSs = 1
		Ss-CsH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
CC(C)(C)S[S](80)
Thermo Library:  28
Group additivity:
	radical
		SJ-Ss-Cs = 1

Uncertainty dG =  2.51246890528  kcal/mol
==========
C[C]1SC2SC1CC=2C(3178)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsSsH = 2
		Ss-CsCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.86138078556  kcal/mol
==========
C[C](C)CSS(192)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Ss(RR) = 2
		Cs(CsCsCsR) = 1
		Cs(Cs(CsCsR)RRR) = 2
		Cs(RRRR) = 1
	group
		Cs-CsHHH = 1
		Ss-SsH = 1
		Cs-CsCsCsH = 1
		Ss-SsCs = 1
		Cs-CsSsHH = 1
	other
		R = 6

Uncertainty dG =  2.34520787991  kcal/mol
==========
[S]S(64)
Thermo Library:  29

Uncertainty dG =  2.0  kcal/mol
==========
[CH2]SC(=C)CSC(C)(C)C(792)
Group additivity:
	radical
		CsJ-SsHH = 1
	gauche
		Ss(CsCs) = 1
		Cs(RRRR) = 3
		Ss(CsR) = 1
		CsOsCdSs = 2
		Cs(CsRRR) = 3
	group
		Cs-CdsSsHH = 1
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Ss-CsCd = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 2
	other
		R = 10

Uncertainty dG =  3.2596012026  kcal/mol
==========
C=CC1=C[C](CC[C](C)C)C(=S)S1(5744)
Group additivity:
	radical
		SJ-Cd = 1
		Tertalkyl = 1
	ring
		thiophene = 1
	other
		R = 13
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Cs-CsCsHH = 1
		Cds-Cds(Cds-Cds)H = 2
		Cs-CsCsCsH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 2
		Ss-CdH = 1

Uncertainty dG =  3.76662979333  kcal/mol
==========
CC1CC(=S)CCC=1[S](3711)
Group additivity:
	radical
		SJ-Cd = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Cs-C=SCsHH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsSs = 1
		C=S-CsCs = 1
		Cds-CdsCsCs = 1
		Cs-CsCsHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
[CH2]C1(C)CC(=C)SC1=S(2699)
Group additivity:
	radical
		Neopentyl = 1
	ring
		thiolane = 1
	other
		R = 9
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Ss-C=SCd = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 2
		Cs-C=SCsCsCs = 1

Uncertainty dG =  2.85043856275  kcal/mol
==========
C=C(C)[CH]SC(C)(C)C(135)
Group additivity:
	radical
		CsJ-CdSsH = 1
	gauche
		Ss(CsCs) = 1
		Cs(RRRR) = 3
		CsOsCdSs = 1
		Cd(CsCs) = 1
		Cs(CsRRR) = 3
	group
		Cs-CdsSsHH = 1
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Ss-CsCs = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 2
	other
		R = 9

Uncertainty dG =  3.04138126515  kcal/mol
==========
[CH2]C(C)(S)CSC(C)(C)C(147)
Group additivity:
	radical
		Cs_P = 1
	gauche
		Ss(CsCs) = 1
		Cs(RRRR) = 3
		Ss(CsH) = 1
		Cs(CsRRR) = 5
	group
		Cs-CsCsCsSs = 2
		Cs-CsHHH = 4
		Ss-CsH = 1
	other
		R = 10

Uncertainty dG =  3.4820970693  kcal/mol
==========
[CH2]C1CC(S)=CCC=1S(3678)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsHH = 1
		Cds-CdsCsSs = 1
		Cs-CdsCsSsH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Ss-CdH = 1
		Ss-CsH = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
[CH2]C(C)(C)SS(100)
Thermo Library:  28
Group additivity:
	radical
		Cs_P = 1

Uncertainty dG =  2.51246890528  kcal/mol
==========
CC1[CH]C2(CC2)SC=1S(4746)
Group additivity:
	radical
		Allyl_S = 1
	other
		R = 9
	group
		Cs-CsCsCsSs = 1
		Ss-CsCd = 1
		Ss-CdH = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 1
		Cs-CsCsHH = 2
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.86138078556  kcal/mol
==========
C=C(C)[C]1SCC(C)(C)S1(1099)
Group additivity:
	radical
		Allyl_P = 1
	ring
		1,3-dithiolane = 1
	other
		R = 10
	group
		Cs-CsCsCsSs = 1
		Cs-CsHHH = 2
		Ss-CsCd = 2
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsCsCs = 2
		Cs-CsSsHH = 1

Uncertainty dG =  3.1224989992  kcal/mol
==========
C=C(C=S)CS(860)
Group additivity:
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(CsH) = 1
	group
		Cs-CdsSsHH = 1
		Sd-Cd = 1
		Cds-CdsHH = 1
		C=S-CdsH = 1
		Ss-CsH = 1
		Cds-CdsC=SCs = 1
	other
		R = 6

Uncertainty dG =  2.29128784748  kcal/mol
==========
CC1CC2CC=1S[C]2S(4319)
Group additivity:
	radical
		CsJ-CsSsSs = 1
	other
		R = 9
	group
		Ss-CsH = 1
		Cs-(Cds-Cds)CsHH = 2
		Ss-CsCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsCsCsH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
C=C(C)SSC[C](C)C(1437)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Ss(RR) = 2
		Cs(CsCsCsR) = 1
		CsOsCdSs = 2
		Cs(Cs(CsCsR)RRR) = 2
		Cs(RRRR) = 2
	group
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cs-CsSsHH = 1
		Cs-CsCsCsH = 1
		Ss-SsCd = 1
		Ss-SsCs = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 1
	other
		R = 9

Uncertainty dG =  2.98956518578  kcal/mol
==========
C=C1CS[C](S1)C(=C)C(2620)
Group additivity:
	radical
		Allyl_P = 1
	ring
		1,3-dithiolane = 1
	other
		R = 9
	group
		Cs-CdsSsHH = 1
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsHH = 1
		Ss-CsCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsCs = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
C=CC12[CH]C(=C)[C](S1)S2(5738)
Group additivity:
	radical
		Allyl_S = 1
		Allyl_P = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Ss-CsCd = 2
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsCsCsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.85043856275  kcal/mol
==========
CC12CC(=CC[C]1S)S2(3662)
Group additivity:
	radical
		CsJ-CsCsSs = 1
	other
		R = 9
	group
		Cs-CsCsCsSs = 1
		Cs-CsCsSsH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-CsHHH = 1
		Ss-CsCd = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
C=C([C]=S)CS(931)
Group additivity:
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(CsH) = 1
	group
		Cs-CdsSsHH = 1
		Sd-Cd = 1
		Ss-CsH = 1
		Cds-CdsC=SCs = 1
		C=S-CdsH = 1
	other
		R = 6

Uncertainty dG =  2.27760839479  kcal/mol
==========
C=[C]CSC1SC(C=C)=CC=1C(5406)
Group additivity:
	radical
		Cds_S = 1
	ring
		thiophene = 1
	other
		R = 12
	group
		Ss-CdCd = 1
		Cs-CdsSsHH = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-CdsHH = 2
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Ss-CsCd = 1

Uncertainty dG =  3.4820970693  kcal/mol
==========
CC1=CCC(C)=C([S])S1(3118)
Group additivity:
	radical
		SJ-Cd = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 2
		Ss-CdH = 1

Uncertainty dG =  2.87228132327  kcal/mol
==========
C=CC12[CH]C(C)=C(S1)S2(5291)
Group additivity:
	radical
		Allyl_S = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Ss-CsCd = 2
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsCsCsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
[CH2]C1(C)C=C(C)SC1=S(3251)
Group additivity:
	radical
		Neopentyl = 1
	ring
		2,3-dihydrothiophene = 1
	other
		R = 9
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)HHH = 1
		Ss-C=SCd = 1
		Cs-CsHHH = 2
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-CsCsCsCs = 1

Uncertainty dG =  2.85043856275  kcal/mol
==========
C=CC12[CH]C1(C)C(=S)S2(5334)
Group additivity:
	radical
		cyclopropane = 1
	other
		R = 9
	group
		Sd-Cd = 1
		Cs-CsCsCsCs = 1
		Cs-C=SCsCsCs = 1
		Cds-CdsHH = 1
		Cs-CsCsHH = 1
		Ss-C=SCs = 1
		Cds-CdsCsH = 1
		Cs-CsHHH = 1
		C=S-CsSs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
C=C(CS)CSC(C)(C)C(198)
Group additivity:
	gauche
		Cs(CsRRR) = 3
		Ss(CsH) = 1
		Cs(RRRR) = 3
		CsOsCdSs = 1
		Ss(CsCs) = 1
		Cd(CsCs) = 1
	group
		Cs-CdsSsHH = 1
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Ss-CsH = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 2
	other
		R = 10

Uncertainty dG =  3.23071199583  kcal/mol
==========
CC(C)(C)SS(52)
Thermo Library:  28

Uncertainty dG =  2.0  kcal/mol
==========
[CH2]C1C=C(CC)SC=1S(4755)
Group additivity:
	radical
		Allyl_P = 1
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
C=C=C(93)
Group additivity:
	gauche
		CsOsCdSs = 2
	group
		Cds-CdsHH = 2
	other
		R = 3

Uncertainty dG =  1.82002747232  kcal/mol
==========
S=C1SC2=CCCC1=C2(5826)
Group additivity:
	other
		R = 9
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cds-Cds(Cds-Cds)H = 1
		Ss-C=SCd = 1
		Cs-(Cds-Cds)CsHH = 2
		Cds-CdsCsH = 1
		Cds-CdsC=SCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
[CH2]C(=C)C(=S)S(968)
Group additivity:
	radical
		Allyl_P = 1
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(RR) = 1
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cds-CdsC=SCs = 1
		Ss-C=SH = 1
	other
		R = 6

Uncertainty dG =  2.30488611432  kcal/mol
==========
[CH2]C(=C)C[C]1CCC1=C(2018)
Group additivity:
	radical
		Allyl_T = 1
		Allyl_P = 1
	ring
		methylenecyclobutane = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 2
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 2
		Cs-CsCsHH = 1

Uncertainty dG =  2.87228132327  kcal/mol
==========
C=C1C(=S)SC2=CCC12(5526)
Group additivity:
	other
		R = 9
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-(Cds-Cds)(Cds-Cds)CsH = 1
		Cds-CdsHH = 1
		Cds-CdsCsSs = 1
		Ss-C=SCd = 1
		Cds-CdsCsH = 1
		Cds-CdsC=SCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
[CH2]C(=C)C[C](C)C(=S)S(1728)
Group additivity:
	radical
		SJ-Cd = 1
		Allyl_P = 1
	gauche
		Ss(RR) = 2
		Cs(RRRR) = 3
		CsOsCdSs = 2
		Cd(CsCs) = 2
	group
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsCs = 3
		Ss-CdH = 2
		Cds-CdsHH = 1
		Cs-(Cds-Cds)HHH = 2
	other
		R = 9

Uncertainty dG =  3.15238005323  kcal/mol
==========
C=CC1=CC(=C)C(=S)S1(5335)
Group additivity:
	ring
		2,3-dihydrothiophene = 1
	other
		R = 9
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsHH = 2
		Ss-C=SCd = 1
		Cds-CdsCsCs = 2

Uncertainty dG =  2.85043856275  kcal/mol
==========
[CH2]C(=C)C([CH2])=C(1761)
Group additivity:
	radical
		Allyl_P = 2
	gauche
		Cs(RRRR) = 2
		CsOsCdSs = 4
	group
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsHH = 2
		Cds-Cds(Cds-Cds)Cs = 2
	other
		R = 6

Uncertainty dG =  2.59807621135  kcal/mol
==========
C=C(C)SSC[C]1CCC1=C(1997)
Group additivity:
	radical
		Allyl_T = 1
	ring
		methylenecyclobutane = 1
	other
		R = 11
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 2
		Ss-SsCd = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cds-CdsCsSs = 1
		Cs-CsCsHH = 1
		Ss-SsCs = 1

Uncertainty dG =  3.26917420766  kcal/mol
==========
C=C1C2=CC1(C)[C](S)S2(5539)
Group additivity:
	radical
		CsJ-CsSsSs = 1
	other
		R = 9
	group
		Ss-CsH = 1
		Cds-CdsHH = 1
		Cs-CsSsSsH = 1
		Cs-(Cds-Cds)(Cds-Cds)CsCs = 1
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 1
		Cs-CsHHH = 1
		Ss-CsCd = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
C=C(C)C([S])=S(462)
Group additivity:
	radical
		SJ-C=S = 1
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(RR) = 1
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cds-CdsC=SCs = 1
		Ss-C=SH = 1
	other
		R = 6

Uncertainty dG =  2.30488611432  kcal/mol
==========
C=C(C)[C](S)C(C)(C)C(1427)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	gauche
		Ss(CsH) = 1
		Cs(Cs(CsCsCs)RRR) = 3
		CsOsCdSs = 1
		Cs(CsCsCsCs) = 1
		Cs(RRRR) = 2
		Cd(CsCs) = 1
	group
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 2
		Cs-CdsCsSsH = 1
		Ss-CsH = 1
		Cds-CdsCsCs = 1
		Cs-CsCsCsCs = 1
	other
		R = 9

Uncertainty dG =  3.0  kcal/mol
==========
[CH2]C(C)=C1CC=C(S)S1(4135)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	ring
		2,3-dihydrothiophene = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cs-CdsCsSsH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cds-CdsCsH = 1
		Ss-CdH = 1
		Ss-CsCd = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
CCC1=CC(C)=C(S)S1(4768)
Group additivity:
	ring
		thiophene = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsHHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
CC1C2=CC1(C)[C](S)S2(4982)
Group additivity:
	radical
		CsJ-CsSsSs = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsCsH = 1
		Cs-(Cds-Cds)CsCsCs = 1
		Cs-CsSsSsH = 1
		Ss-CsCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.80624304008  kcal/mol
==========
[CH2]C1(C)SC1=S(1049)
Group additivity:
	radical
		Cs_P = 1
	ring
		thiirane = 1
	other
		R = 6
	group
		Ss-C=SCs = 1
		Sd-Cd = 1
		Cs-CsCsCsCs = 1
		C=S-CsSs = 1
		Cs-CsHHH = 2

Uncertainty dG =  2.26384628453  kcal/mol
==========
[CH2]C12CSC(S1)=C(C)C2(2759)
Group additivity:
	radical
		Cs_P = 1
	other
		R = 9
	group
		Cs-CsCsCsSs = 1
		Cs-CsSsHH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 1
		Ss-CsCd = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
C=C(CS)C(=S)C[C](C)C(985)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Ss(CsH) = 1
		Cs(CsCsCsR) = 1
		CsOsCdSs = 2
		Cs(Cs(CsCsR)RRR) = 2
		Cs(RRRR) = 2
	group
		Cs-CdsSsHH = 1
		Cs-C=SCsHH = 1
		Sd-Cd = 1
		C=S-CdsCs = 1
		Cds-CdsC=SCs = 1
		Cs-CsCsCsH = 1
		Cds-CdsHH = 1
		Cs-CsHHH = 1
		Ss-CsH = 1
	other
		R = 10

Uncertainty dG =  3.16227766017  kcal/mol
==========
C=C1CCC1=C(1796)
Group additivity:
	ring
		12methylenecyclobutane = 1
	other
		R = 6
	group
		Cs-(Cds-Cds)CsHH = 2
		Cds-CdsHH = 2
		Cds-Cds(Cds-Cds)Cs = 2

Uncertainty dG =  2.30488611432  kcal/mol
==========
[CH2]C(C)(C)SC(=S)C(=C)C(463)
Group additivity:
	radical
		Cs_P = 1
	gauche
		Ss(RR) = 1
		Cs(RRRR) = 2
		CsOsCdSs = 2
		Cs(CsRRR) = 3
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Cs-(Cds-Cds)HHH = 1
		Ss-C=SCs = 1
		Cs-CsHHH = 2
	other
		R = 10

Uncertainty dG =  3.21130814467  kcal/mol
==========
CCC12[CH]C(C)=C(S1)S2(4833)
Group additivity:
	radical
		Allyl_S = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-CsCsHH = 1
		Cs-CsCsSsSs = 1
		Ss-CsCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
C=C(C)[C]1SCC2(CCC2=C)S1(2153)
Group additivity:
	radical
		Allyl_P = 1
	other
		R = 12
	group
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Cs-CsCsHH = 1
		Ss-CsCd = 2
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsCsCs = 3
		Cs-CsCsCsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  3.56195171219  kcal/mol
==========
[CH2]C(=C)C[C](C)C(=S)SC(C)(C)C(1682)
Group additivity:
	radical
		SJ-Cd = 1
		Allyl_P = 1
	gauche
		Ss(RR) = 1
		Cs(CsRRR) = 3
		Ss(CsR) = 1
		CsOsCdSs = 2
		Cs(RRRR) = 4
		Cd(CsCs) = 2
	group
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Ss-CsCd = 1
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsCsCs = 3
		Cs-CsHHH = 3
		Ss-CdH = 1
	other
		R = 13

Uncertainty dG =  4.10030486671  kcal/mol
==========
C=C(C)C(=S)SC[C](C)C(1063)
Group additivity:
	radical
		Tertalkyl = 1
	gauche
		Ss(RR) = 1
		Cs(CsCsCsR) = 1
		CsOsCdSs = 2
		Cs(Cs(CsCsR)RRR) = 2
		Cs(RRRR) = 2
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cds-CdsC=SCs = 1
		Cs-CsCsCsH = 1
		Ss-C=SCs = 1
		Cs-CsSsHH = 1
		Cs-CsHHH = 1
	other
		R = 10

Uncertainty dG =  3.16227766017  kcal/mol
==========
C=C1CSC(=C(C)C1)C(C)(C)C(1821)
Group additivity:
	ring
		Cyclohexane = 1
	other
		R = 12
	group
		Cs-CdsSsHH = 1
		Cs-(Cds-Cds)CsCsCs = 1
		Cds-CdsHH = 1
		Cds-CdsCsSs = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Ss-CsCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 3

Uncertainty dG =  3.54436171969  kcal/mol
==========
C=[C]C(38)
Group additivity:
	radical
		Cds_S = 1
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
	group
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsH = 1
	other
		R = 3

Uncertainty dG =  1.82002747232  kcal/mol
==========
CC1C=C2[CH]CSC=1S2(5303)
Group additivity:
	radical
		C=CCJC=C = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cs-CdsSsHH = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsCs = 2
		Cds-CdsCsH = 1
		Ss-CsCd = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.85043856275  kcal/mol
==========
C=C1[CH]CC(C)=C(S)S1(2849)
Group additivity:
	radical
		Allyl_P = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Ss-CdCd = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 2
		Ss-CdH = 1

Uncertainty dG =  2.87228132327  kcal/mol
==========
[CH2]C(=C)S[S](1413)
Group additivity:
	radical
		Allyl_P = 1
		SJ-Ss-Cs = 1
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(RR) = 2
	group
		Cs-(Cds-Cds)HHH = 1
		Ss-SsCd = 1
		Ss-SsH = 1
		Cds-CdsCsSs = 1
	other
		R = 5

Uncertainty dG =  2.17944947177  kcal/mol
==========
C=C(C)C(=S)S(394)
Group additivity:
	gauche
		Cs(RRRR) = 1
		CsOsCdSs = 2
		Ss(RR) = 1
	group
		Sd-Cd = 1
		C=S-CsSs = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cds-CdsC=SCs = 1
		Ss-C=SH = 1
	other
		R = 6

Uncertainty dG =  2.29128784748  kcal/mol
==========
[CH2]C(=C)SC1SC(C=C)=CC=1C(5407)
Group additivity:
	radical
		Allyl_P = 1
	ring
		thiophene = 1
	other
		R = 12
	group
		Ss-CdCd = 2
		Cs-(Cds-Cds)HHH = 2
		Cds-CdsHH = 2
		Cds-CdsCsSs = 1
		Cds-Cds(Cds-Cds)Cs = 1
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsCsCs = 2

Uncertainty dG =  3.54436171969  kcal/mol
==========
[CH2]C1C=C(S)CCC=1S(4522)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	ring
		Cyclohexane = 1
	other
		R = 9
	group
		Cds-Cds(Cds-Cds)H = 1
		Cds-CdsHH = 1
		Cs-CdsCsSsH = 1
		Ss-CsH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsSs = 1
		Cs-CsCsHH = 1
		Ss-CdH = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
[CH2]C(C)(C)S[S](103)
Thermo Library:  28
Group additivity:
	radical
		Cs_P = 1
		SJ-Ss-Cs = 1

Uncertainty dG =  2.52487623459  kcal/mol
==========
C[C]1C(=S)SC2=CCC12(5320)
Group additivity:
	radical
		SJ-Cd = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)CsHH = 1
		Cs-(Cds-Cds)(Cds-Cds)CsH = 1
		Cds-CdsCsSs = 1
		Cds-CdsCsH = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 1
		Ss-CdH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.8394541729  kcal/mol
==========
[CH2]C=C1CC(C)=C(S)S1(3539)
Group additivity:
	radical
		CsJ-CsCdSs = 1
	ring
		2,3-dihydrothiophene = 1
	other
		R = 9
	group
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsHH = 1
		Cs-CdsCsSsH = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 1
		Cds-CdsCsH = 1
		Ss-CdH = 1
		Ss-CsCd = 1

Uncertainty dG =  2.8173569174  kcal/mol
==========
[CH2]C1(CSC(C)(C)C)CS1(785)
Group additivity:
	radical
		Cs_P = 1
	ring
		thiirane = 1
	other
		R = 10
	group
		Cs-CsCsCsSs = 2
		Ss-CsCs = 2
		Cs-CsSsHH = 2
		Cs-CsHHH = 4

Uncertainty dG =  3.22102468168  kcal/mol
==========
C=C1CCC(C)=C(SC[C](C)C)S1(2893)
Group additivity:
	radical
		Tertalkyl = 1
	ring
		Cyclohexane = 1
	other
		R = 13
	group
		Ss-CdCd = 1
		Cs-(Cds-Cds)CsHH = 2
		Cds-CdsHH = 1
		Cds-CdsCsCs = 2
		Cs-CsCsCsH = 1
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 1
		Cs-CsHHH = 2
		Ss-CsCd = 1

Uncertainty dG =  3.75  kcal/mol
==========
C=C(C)C([S])(SC(C)(C)C)C(C)(C)C(482)
Group additivity:
	radical
		SJ-Cs = 1
	gauche
		Cs(CsRRR) = 3
		Ss(CsH) = 1
		Ss(CsCs) = 1
		Cs(Cs(CsCsCs)RRR) = 3
		CsOsCdSs = 1
		Cs(CsCsCsCs) = 1
		Cs(RRRR) = 3
		Cd(CsCs) = 1
	group
		Cs-CsCsCsSs = 1
		Cds-CdsHH = 1
		Cs-CsHHH = 6
		Ss-CsCs = 1
		Ss-CsH = 1
		Cs-(Cds-Cds)HHH = 1
		Cs-CsCsCsCs = 1
	other
		R = 14

Uncertainty dG =  4.38035386698  kcal/mol
==========
C=CC12C=C(C1)C(=S)S2(5862)
Group additivity:
	other
		R = 9
	group
		C=S-CsSs = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsHH = 1
		Cds-CdsC=SCs = 1
		Ss-C=SCs = 1
		Cds-CdsCsH = 1
		Cs-CsCsCsCs = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.79508497187  kcal/mol
==========
C=C1CC[CH]C2=CC(C)=C(S1)S2(6308)
Group additivity:
	radical
		C=CCJC=C = 1
	other
		R = 12
	group
		Ss-CdCd = 2
		Cs-(Cds-Cds)CsHH = 2
		Cds-CdsHH = 1
		Cs-(Cds-Cds)(Cds-Cds)HH = 1
		Cds-CdsCsCs = 2
		Cs-(Cds-Cds)HHH = 1
		Cds-CdsCsSs = 2
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  3.54436171969  kcal/mol
==========
CCC12[CH]C(C1)=C(S)S2(5081)
Group additivity:
	radical
		Allyl_S = 1
	other
		R = 9
	group
		Cs-CsCsCsSs = 1
		Cs-CsCsHH = 1
		Ss-CsCd = 1
		Cs-(Cds-Cds)CsHH = 1
		Cds-CdsCsCs = 2
		Cs-CsHHH = 1
	polycyclic
		PolycyclicRing = 1

Uncertainty dG =  2.82842712475  kcal/mol
==========
CC(C)(C)SSC(C)(C)C(50)
Group additivity:
	gauche
		Ss(RR) = 2
		Cs(RRRR) = 2
		Cs(CsRRR) = 6
	group
		Cs-CsCsCsSs = 2
		Cs-CsHHH = 4
		Ss-SsCs = 1
	other
		R = 10

Uncertainty dG =  3.54436171969  kcal/mol
==========
S2(12)
Thermo Library:  15

Uncertainty dG =  2.0  kcal/mol