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C[*X1](C)([*X1])[*X1] terminal primary C(sp3)
[C,c]([C,c])([C,c])(*)* total secondary C(sp3)
[C,c]([C,c])([C,c])([C,c])* total tertiary C(sp3)
[C,c]([C,c])([C,c])([C,c])[C,c] total quaternary C(sp3)
[$([Cr,cr]([Cr,cr])([Cr,cr])(*)*),$([Cr,cr]([Cr,cr])([C,c])([*r])*)] ring secondary C(sp3)
[$([Cr,cr]([Cr,cr])([Cr,cr])([C,c])*),$([Cr,cr]([Cr,cr])([C,c])([C,c])[*r])] ring tertiary C(sp3)
[Cr,cr]([Cr,cr])([Cr,cr])([C,c])[C,c] ring quaternary C(sp3)
[cX3] aromatic C(sp2)
[Ch1,ch1]1[C,c][C,c][C,c][C,c][C,c]1 unsubstituted benzene C(sp2)
[Ch0,ch0]1[C,c][C,c][C,c][C,c][C,c]1 substituted benzene C(sp2)
O=CC1=CCCC=C1 non-aromatic conjugated C(sp2)
[C,c]=[C,c](*)(*) terminal primary C(sp2)
C=C(C)(*) aliphatic secondary C(sp2)
C=C(C)(C) aliphatic tertiary C(sp2)
[C,c]=[C,c]=[C,c] allenes groups
[*X1][C,c]#C terminal C(sp)
**[C,c]#C non-terminal C(sp)
OC#N cyanates
O=C=N isocyanates
SC#N thiocyanates
N=C=S isothiocyanates
[OH,Oh]C=O carboxylic acids
[*;!H]OC=O esters
[NH2,Nh2]C=O primary amides
[*;!H][NH,Nh]C=O secondary amides
[*;!H]N([*;!H])C=O tertiary amides
*N(*)C([O,S]*)=[O,S] (thio-)carbamates
[F,Cl,Br,I,At]C(*)=O acyl halogenides
[$([OH,Oh]C(*)=S),$([SH,Sh]C(*)=O)] thioacids
[SH,Sh]C(*)=S dithioacids
[$([*;!H]OC(*)=S),$([*;!H]SC(*)=O)] thioesters
[*;!H]SC(*)=S dithioesters
[CH,Ch](*)=O aldehydes
*C(*)=O ketones
[NX3]C([NX3])=[O,S] urea (-thio) derivatives
[OX2,SX2]C([OX2,SX2])=[O,S] carbonate (-thio) derivatives
[NX2]C([C,H])[NX3] amidine derivatives
[NX3]C(=[NX2])[NX3] guanidine derivatives
*C(*)=N[N,C,H] imines
*C(*)=NO* oximes
[NH2X3,Nh2X3] primary amines
[NH1X3,Nh1X3] secondary amines
[NH0X3;Nh0X3] tertiary amines
[C,H][NX3][NX3][C,H] N hydrazines
[C,H][NX2]=[NX2][C,H] N azo-derivatives
N#C* nitriles
[N+n] positive charged N
[NX4] quaternary N
*N(*)O* hydroxylamines
*N(*)N=O nitrosamine
*N=O nitroso groups
*N(O)=O nitro groups
[CX3](=[O,S])[NX3]([H,C])[CX3]=[O,S] imides
[C,H]C([C,H])=NN([C,H])[C,H] hydrazones
A[OX2h1,OX2H1] hydroxyl groups
a[OX2h1,OX2H1] aromatic hydroxyls
C[CH2,Ch2][OH,Oh] primary alcohols
C[CH,Ch](C)[OH,Oh] secondary alcohols
CC(C)(C)[OH,Oh] tertiary alcohols
*O* ethers
*O[F,Cl,Br,I,At] hypohalogenides
[CX3](=[O,S])O[CX3][O,S] anhydrides
[OH2,Oh2] water
C[SH,Sh] thiols
S=C(C)C thioketones
C[SX2]C sulfides
C[SX2][SX2]C disulfides
[$(CS(C)=O),$(C=S=O),$(S=S=O)] sulfoxides
[$(O=[SX4]=O),$(O=S(=[C,S])=O)] sulfones
[SX2][Oh1,OH1,Sh1,SH1] sulfenic acids
[SX3](=[O,S])[Oh1,OH1,Sh1,SH1] sulfinic acids
[SX4](=[O,S])(=[O,S])[Oh1,OH1,Sh1,SH1] sulfonic acids
[OX2,SX2][SX4](=[O,S])(=[O,S])[Oh1,OH1,Sh1,SH1] sulfuric acids
[SX3](=[O,S])[OX2,SX2] sulfites
[SX4](=[O,S])(=[O,S])[OX2,SX2] sulfonates
[OX2,SX2][SX4](=[O,S])(=[O,S])[OX2,SX2] sulfates
[$(C[SX4](=O)(=O)[NX3]),$(C[SX4](=S)(=O)[NX3]),$(C[SX3](=O)[NX3]),$(C[SX3](=S)[NX3]),$(CS[NX3])] sulfonamides/sulfinamides/sulfenamides
[O,S]P([O,S])[O,S] phosphites/thiophosphites
[O,S]P(=[O,S])([O,S])[O,S] phosphates/thiophosphates
[O,S]P([O,S])[O,S] phosphanes
[H,S,F,Cl,Br,I,At][PX4](=[S,O])([SX2,OX2])[SX2,OX2] phosphonates/thiophosphonates
[$([H,S,F,Cl,Br,I,At][PX4](=[S,O])([H,S,F,Cl,Br,I,At])[H,S,F,Cl,Br,I,At]),$([H,S,F,Cl,Br,I,At][PX5]([H,S,F,Cl,Br,I,At])([H,S,F,Cl,Br,I,At])([H,S,F,Cl,Br,I,At])[H,S,F,Cl,Br,I,At])] phosphoranes/thiophosphoranes
[F,Cl,Br,I,At][CX4h2,CX4H2,cx4h2,cx4H2][C,c] CH2RX
[F,Cl,Br,I,At][CX4h1,CX4H1,cX4h1,cX4H1]([C,c])[C,c] CHR2X
[F,Cl,Br,I,At][C,c]([C,c])([C,c])[C,c] CR3X
[C,c]=[CX3h1,cX3h1,CX3H1,cX3H1][F,Cl,Br,I,At] R=CHX
[C,c]=[C,c]([C,c])[F,Cl,Br,I,At] R=CRX
[F,Cl,Br,I,At]C#C R#CX
[F,Cl,Br,I,At][CX4h1,CX4H1,cX4h1,cX4H1]([C,c])[F,Cl,Br,I,At] CHRX2
[F,Cl,Br,I,At][C,c]([C,c])([C,c])[F,Cl,Br,I,At] CR2X2
[C,c]=[C,c]([F,Cl,Br,I,At])[F,Cl,Br,I,At] R=CX2
[F,Cl,Br,I,At][C,c]([C,c])([F,Cl,Br,I,At])[F,Cl,Br,I,At] CRX3
[F,Cl,Br,I,At][ar] halogene on aromatic ring
[CrX4,crX4][F,Cl,Br,I,At] X on ring C(sp3)
[CrX3,crX3][F,Cl,Br,I,At] X on ring C(sp2)
[C,c]=[C,c]([F,Cl,Br,I,At])[C,c]=[C,c] halogene on exo-conjugated C
[N,n]1@[C,c]@[C,c]1 Aziridines
[O,o]1@[C,c]@[C,c]1 Oxiranes
[S,s]1@[C,c]@[C,c]1 Thiranes
[N,n]1@[C,c]@[C,c]@[C,c]1 Azetidines
[O,o]1@[C,c]@[C,c]@[C,c]1 Oxetanes
[S,s]1@[C,c]@[C,c]@[C,c]1 Thioethanes
[N,n]12@[C,c]@[C,c]@[C,c]@[C,c]@[C,c]1(@[C,c]@C2(=O)) Beta-Lactams
[N,n]1@[C,c]@[C,c]@[C,c]1 Pyrrolidines
[O,o]1[C,c][C,c][C,c][C,c]1 Oxolanes
[S,s]1[C,c][C,c][C,c][C,c]1 tetrahydro-Thiophenes
[N,n]1@[C,c]@[C,c]@[C,c]@[C,c]1 Pyrroles
[N,n]1@[N,n]@[C,c]@[C,c]@[C,c]1 Pyrazoles
[N,n]1@[C,c]@[N,n]@[C,c]@[C,c]1 Imidazoles
[O,o]1[C,c]=[C,c][C,c]=[C,c]1 Furanes
[S,s]1[C,c]=[C,c][C,c]=[C,c]1 Thiophenes
[O,o]1@[C,c]@[N,n]@[C,c]@[C,c]1 Oxazoles
[O,o]1@[N,n]@[C,c]@[C,c]@[C,c]1 Isoxazoles
[S,s]1@[C,c]@[N,n]@[C,c]@[C,c]1 Thiazoles
[S,s]1@[N,n]@[C,c]@[C,c]@[C,c]1 Isothiazoles
[$([N,n]1@[N,n]@[C,c]@[N,n]@C1),$([N,n]1@[N,n]@[N,n]@[C,c]@[C,c]1)] Triazoles
[N,n]1@[C,c]@[C,c]@[C,c]@[C,c]@[C,c]1 Pyridines
[N,n]1@[C,c]@[C,c]@[C,c]@[C,c]@[N,n]1 Pyridazines
[N,n]1@[C,c]@[C,c]@[C,c]@[N,n]@[C,c]1 Pyrimidines
[N,n]1@[C,c]@[C,c]@[N,n]@[C,c]@[C,c]1 Pyrazines
[N,n]1@[C,c]@[N,n]@[C,c]@[N,n]@[C,c]1 135-Triazines
[N,n]1@[C,c]@[N,n]@[N,n]@[C,c]@[C,c]1 124-Triazines
[C,c]1([Oh1,OH1])[C,c][C,c][C,c][C,c][C,c]1 Phenoles
[C,c]1([C])[C,c][C,c][C,c][C,c][C,c]1 Phenyles
[C,c]1([CH3,ch3])[C,c][C,c][C,c][C,c][C,c]1 Toluenes
OC[C,c]1@[C,c](O)@[C,c](O)@[C,c](O)@[C,c](O)@[O,o]1 Glucose
OC[C,c]1(O)@[C,c](O)@[C,c](O)@[C,c](CO)[O,o]1 Fructose
[CH3,Ch3] Methyl
[F,Cl,Br,I,At] Halogenides
[CH2,Ch2,Ch3,CH3][CH2,Ch2][CH2,Ch2,Ch3,CH3] Propyl
[CH2,Ch2,Ch3,CH3][CH2,Ch2][CH2,Ch2][CH2,Ch2,Ch3,CH3] Butyl
[CH2,Ch2,Ch3,CH3][CH2,Ch2][CH2,Ch2][CH2,Ch2][CH2,Ch2,Ch3,CH3] Pentyl
CC=C([CH3,Ch3])([CH3,Ch3]) Prenyl
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