Name	SMARTS	Reject	Accept
2,2-dimethyl-4,5-dicarboxy-dithiole	C1(C)(C)SC(C(=O)O)=C(C(=O)O)S1		['C1(C)(C)SC(C(=O)O)=C(C(=O)O)S1']
2,3,4_trihydroxyphenyl	c([OH])c([OH])c([OH])		['c([OH])c([OH])c([OH])']
2,3,5_trihydroxyphenyl	c([OH])c([OH])cc([OH])		['c([OH])c([OH])cc([OH])']
acid_anhydrides	C(=O)OC(=O)		['C(=O)OC(=O)']
acid_halides	[S,C](=[O,S])[F,Br,Cl,I]		['[S,C](=[O,S])[F,Br,Cl,I]']
Acridine	c1c2cc4ccccc4nc2ccc1		['c1c2cc4ccccc4nc2ccc1']
Active_Phosphate	P(=S)([OH1,O$(O[#6])])([OH1,O$(O[#6])])[S,O]		['P(=S)([OH1,O$(O[#6])])([OH1,O$(O[#6])])[S,O]']
acyl_cyanide	C(=O)-C#N		['C(=O)-C#N']
Adjacent_Ring_Double_Bonds	[*;R]=[*;R]=[*;R]		['[*;R]=[*;R]=[*;R]']
Aldehyde	[#6][C!H0]=O		['[#6][C!H0]=O']
Aliphatic_Triflate	COS(=O)(=O)C(F)(F)F		['COS(=O)(=O)C(F)(F)F']
AlkylEnamine	[C;H1$(C([#6;!$(C=O)])),H0$(C([#6;!$(C=O)])[#6;!$(C=O)])]=[CH1]!@N([#6;!$(C(=O))])[#6;!$(C(=O))]		['[C;H1$(C([#6;!$(C=O)])),H0$(C([#6;!$(C=O)])[#6;!$(C=O)])]=[CH1]!@N([#6;!$(C(=O))])[#6;!$(C(=O))]']
Allene	*=C=*		['*=C=*']
Alpha_Halo_Carbonyl	[C;!$(C[N])](=O)!@[C;h1,h2;H1,H2][F,Cl,Br,I]		['[C;!$(C[N])](=O)!@[C;h1,h2;H1,H2][F,Cl,Br,I]']
amidotetrazole	c1nnnn1C=O		['c1nnnn1C=O']
Amino_Naphtalimide	c1(N)ccc(C(=O)NC3(=O))c(c3ccc2)c21		['c1(N)ccc(C(=O)NC3(=O))c(c3ccc2)c21']
Aminonitrile	NC#N		['NC#N']
Anhydride	[#6]C(=O)OC(=O)[#6]		['[#6]C(=O)OC(=O)[#6]']
Any_Carbazide	O=*N=[N+]=[N-]		['O=*N=[N+]=[N-]']
aromatic_azides	cN=N=N		['cN=N=N']
Azanitrone	N=[N+]([O-])C		['N=[N+]([O-])C']
azoalkanals	[N;R0]=[N;R0]CC=O		['[N;R0]=[N;R0]CC=O']
Azobenzene	c1ccccc1[N!r]=[N!r]c2ccccc2		['c1ccccc1[N!r]=[N!r]c2ccccc2']
Azocyanamide	[N;R0]=[N;R0]C#N		['[N;R0]=[N;R0]C#N']
b-Carbonyl_Quaternary_Nitrogen	C(=O)CC[N+,n+]		['C(=O)CC[N+,n+]']
benzylic_quaternary_nitrogen	cC[N+,NX4]		['cC[N+,NX4]']
beta-carbonyl_quaternary_nitrogen	C(=O)C[N+,n+,NX4,nX4]		['C(=O)C[N+,n+,NX4,nX4]']
Beta-Fluoro-ethyl-ON	[C;H2$(CF),H1$(C(F)F)]!@[CH2][N,O]		['[C;H2$(CF),H1$(C(F)F)]!@[CH2][N,O]']
biotin_analogue	C12C(NC(N1)=O)CSC2		['C12C(NC(N1)=O)CSC2']
carbazides	C(=O)N=N=N		['C(=O)N=N=N']
carbodiimides	N=C=N		['N=C=N']
CCl3-CHO_releasing	C(Cl)(Cl)(Cl)C([O,S])[NX3]		['C(Cl)(Cl)(Cl)C([O,S])[NX3]']
Chloramidine	[Cl]C([C&R0])=N		['[Cl]C([C&R0])=N']
Conjugated_Dithioether	SC(=[!r])S		['SC(=[!r])S']
Crown_Ether_12CRO4	O1CCOCCOCCOCC1		['O1CCOCCOCCOCC1']
Crown_Ether_15CRO5	O1CCOCCOCCOCCOCC1		['O1CCOCCOCCOCCOCC1']
Crown_Ether_16CRO6	O1CCOCCOCCOCCOCCOCC1		['O1CCOCCOCCOCCOCCOCC1']
crown_ethers	[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1]		['[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1]']
cyanamide	N[CH2]C#N		['N[CH2]C#N']
Cyanophosphonate	P(OCC)(OCC)(=O)C#N		['P(OCC)(OCC)(=O)C#N']
Cyanohydrin	N#CC[OH1]		['N#CC[OH1]']
di_and_triphosphates	P(=O)([OH])OP(=O)[OH]		['P(=O)([OH])OP(=O)[OH]']
Diacetylene	C#CC#C		['C#CC#C']
Diazoalkane	C=[N+]=[N-]		['C=[N+]=[N-]']
Diazonium_Salt	[N+]#N		['[N+]#N']
Diene	C!@=[CH1]-C!@=[CH1]-[CX3](=O)		['C!@=[CH1]-C!@=[CH1]-[CX3](=O)']
Dinitrobenzene_1	c1c([N+](=O)[O-])c([N+](=O)[O-])ccc1		['c1c([N+](=O)[O-])c([N+](=O)[O-])ccc1']
Dinitrobenzene_2	c1c([N+](=O)[O-])ccc([N+](=O)[O-])c1		['c1c([N+](=O)[O-])ccc([N+](=O)[O-])c1']
Dinitrobenzene_3	c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1		['c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1']
disulfides	[SX2][SX2]		['[SX2][SX2]']
Dithiocarbamate	NC(=S)S		['NC(=S)S']
Dithiole-2-thione	S1SC=CC1=S		['S1SC=CC1=S']
Dithiole-3-thione	S1C=CSC1=C		['S1C=CSC1=C']
Dithiomethylene_acetal	S[C;!$(C=*)]S		['S[C;!$(C=*)]S']
Enyne	C=!@CC#C		['C=!@CC#C']
epoxides,_thioepoxides,_aziridines	C1[O,S,N]C1		['C1[O,S,N]C1']
ester_of_HOBT	C(=O)Onnn		['C(=O)Onnn']
Flavin	c1cccc(NC(=NC(=[N,S,O])NC(=O)3)C3=N2)c12		['c1cccc(NC(=NC(=[N,S,O])NC(=O)3)C3=N2)c12']
Fluorescein	c1cc(O)cc(OC(=CC(=O)C=C3)C3=C2)c12		['c1cc(O)cc(OC(=CC(=O)C=C3)C3=C2)c12']
Fluorinated_Carbon_1	C(C(CF)F)F		['C(C(CF)F)F']
Fluorinated_Carbon_2	C(C(F)F)(F)F		['C(C(F)F)(F)F']
four_member_lactones	C1(=O)OCC1		['C1(=O)OCC1']
geminal_amines	[NH1;!r][CX4][NH1;!r]		['[NH1;!r][CX4][NH1;!r]']
geminal_dinitriles	N#CCC#N		['N#CCC#N']
halo-pyridine,_-diazoles_and_-triazoles	[Cl,Br,I]c1[c,n][c,n][c,n][c,n]n1		['[Cl,Br,I]c1[c,n][c,n][c,n][c,n]n1']
hydrazothiourea	N=NC(S)N		['N=NC(S)N']
Imidazolium	c1[n+]([#6])ccn1([#6])		['c1[n+]([#6])ccn1([#6])']
Imine2	[#6,#8,#16]-[CH1]=[NH1]		['[#6,#8,#16]-[CH1]=[NH1]']
imines_(not_ring)	[#6][C;R0](=[N;R0,O0])[#6]		['[#6][C;R0](=[N;R0,O0])[#6]']
isocyanates_&_isothiocyanates	N=C=[S,O]		['N=C=[S,O]']
isonitrile	[N+]#[C-]		['[N+]#[C-]']
ketene	C=C=O		['C=C=O']
Lawesson_Reagent_Derivatives	P(=S)(S)S		['P(=S)(S)S']
methylidene-1,3-dithiole	S1C=CSC1=S		['S1C=CSC1=S']
Michael_Phenyl_Ketone	c1ccccc1C(=O)C=!@CC(=O)!@*		['c1ccccc1C(=O)C=!@CC(=O)!@*']
N-halo	[NX3,NX4][F,Cl,Br,I]		['[NX3,NX4][F,Cl,Br,I]']
Nitrobenz-azadiazole_1	c1ccc(n[o,s]n2)c2c1[N+](=O)[O-]		['c1ccc(n[o,s]n2)c2c1[N+](=O)[O-]']
Nitrobenz-azadiazole_2	c1c([N+](=O)[O-])cc(n[o,s]n2)c2c1		['c1c([N+](=O)[O-])cc(n[o,s]n2)c2c1']
nitrosamine	N-[N;X2](=O)		['N-[N;X2](=O)']
nitroso	[N&D2](=O)		['[N&D2](=O)']
noname	N1=C[S,NH1]C(=[C,N,P][C,N,O,P])C1(=O)		['N1=C[S,NH1]C(=[C,N,P][C,N,O,P])C1(=O)']
N-Oxide_aliphatic	[N+!$(N=O)][O-X1]		['[N+!$(N=O)][O-X1]']
N-S_(not_sulfonamides)	[#6][S;O0][N;H0]		['[#6][S;O0][N;H0]']
Orthoester	C(O)(O)[OH]		['C(O)(O)[OH]']
o-tertbutylphenol	c1c([OH1])c(C(C)(C)C)ccc1		['c1c([OH1])c(C(C)(C)C)ccc1']
Oxobenzothiepine	C1(=O)C=CCSC=C1		['C1(=O)C=CCSC=C1']
P_or_S_Halides	[P,S][Cl,Br,F,I]		['[P,S][Cl,Br,F,I]']
p-Aminoaryl_diazo	Nc1aaa(N!@=N)aa1		['Nc1aaa(N!@=N)aa1']
PCP	PCP		['PCP']
paranitrophenyl_esters	C(=O)Oc1ccc(N(=O)=O)cc1		['C(=O)Oc1ccc(N(=O)=O)cc1']
pentahalophenyl	c1c([F,Cl])c([F,Cl])c([F,Cl])c([F,Cl])c1([F,Cl])		['c1c([F,Cl])c([F,Cl])c([F,Cl])c([F,Cl])c1([F,Cl])']
pentafluorophenyl_esters	C(=O)Oc1c(F)c(F)c(F)c(F)c1(F)		['C(=O)Oc1c(F)c(F)c(F)c(F)c1(F)']
peroxide	[#8]~[#8]		['[#8]~[#8]']
Phenanthrene	c12cccc3c1c4c(cc3)cccc4cc2		['c12cccc3c1c4c(cc3)cccc4cc2']
phosphonate_esters	[#6]P(=O)(~O)O[#6]		['[#6]P(=O)(~O)O[#6]']
phosphoramides	NP(=O)(N)N		['NP(=O)(N)N']
phosphorane	C=P		['C=P']
Phosphorus_Halide	[S,P][F,Cl,Br,I]		['[S,P][F,Cl,Br,I]']
Polyene	C=!@CC=!@C		['C=!@CC=!@C']
polyenes	C=CC=CC=CC=C		['C=CC=CC=CC=C']
polyene_chain_between_aromatics	cC=CC=CC=Cc		['cC=CC=CC=Cc']
polyines	CC#CC#CC		['CC#CC#CC']
Polynuclear_Aromatic_1	c1cccc(cc(cccc2)c2c3)c13		['c1cccc(cc(cccc2)c2c3)c13']
Polynuclear_Aromatic_2	c1cccc(c(cccc2)c2cc3)c13		['c1cccc(c(cccc2)c2cc3)c13']
Polysulfide	*[SX2][SX2][SX2]*		['*[SX2][SX2][SX2]*']
Sulphur_Halide	[#16][F,Cl,Br,I]		['[#16][F,Cl,Br,I]']
pyrene_fragments	c1c2cccc3c2c4c(cc3)cccc4c1		['c1c2cccc3c2c4c(cc3)cccc4c1']
Pyrylium	c1ccc[o+]c1		['c1ccc[o+]c1']
reactive_carbonyls	[C;!r](=[O,S])[S;!r]		['[C;!r](=[O,S])[S;!r]']
reactive_carbonyls	[C;!r](=[O,S])[CX2;!r][F,Br,Cl]		['[C;!r](=[O,S])[CX2;!r][F,Br,Cl]']
Ring_Triple_Bond	[C,c;R]#[C,c;R]		['[C,c;R]#[C,c;R]']
S=N_(not_ring)	[S;R0]=[N;R0]		['[S;R0]=[N;R0]']
Sulfonate_Ester	O=[SX4](=O)OC		['O=[SX4](=O)OC']
sulfonyl_cyanide	S(=O)(=O)C#N		['S(=O)(=O)C#N']
Sulphate_Ester	COS(=O)O[C,c]		['COS(=O)O[C,c]']
sulphonates	COS(=O)(=O)[C,c]		['COS(=O)(=O)[C,c]']
Sulphur_Nitrogen_single_bond	[SX2H0]!@[N]		['[SX2H0]!@[N]']
Tetraazinane	C1NNC=NN1		['C1NNC=NN1']
Thiocyanate	SC#N		['SC#N']
thioesters	C[O,S;R0][C;R0](=S)		['C[O,S;R0][C;R0](=S)']
thioles_(not_aromatic)	[!a][SX2;H1]		['[!a][SX2;H1]']
Thiophosphothionate	P(=S)(-[S;H1,H0$(S(P)C)])(-[O;H1,H0$(O(P)C)])(-N(C)C)		['P(=S)(-[S;H1,H0$(S(P)C)])(-[O;H1,H0$(O(P)C)])(-N(C)C)']
thiourea	[N;!r][C;!r](=S)[N;!r]		['[N;!r][C;!r](=S)[N;!r]']
Three_Membered_Heterocycle	*1[O,S]*1		['*1[O,S]*1']
Tri_Pentavalent_S	[#16v3,#16v5]		['[#16v3,#16v5]']
Triacyloxime	C(=O)N(C(=O))OC(=O)		['C(=O)N(C(=O))OC(=O)']
Triazole	c1cnnn1!@C!@[NH1][#6]		['c1cnnn1!@C!@[NH1][#6]']
triflate	OS(=O)(=O)(C(F)(F)(F))		['OS(=O)(=O)(C(F)(F)(F))']
Triphenyl_Boranyl	B(c1ccccc1)(c2ccccc2)c3ccccc3		['B(c1ccccc1)(c2ccccc2)c3ccccc3']
triphenylphosphines	P(c1aaaaa1)(c1aaaaa1)(c1aaaaa1)		['P(c1aaaaa1)(c1aaaaa1)(c1aaaaa1)']
Triphenyl_Silyl	[Si](c1ccccc1)(c2ccccc2)(c3ccccc3)		['[Si](c1ccccc1)(c2ccccc2)(c3ccccc3)']
Vinyl_Halide	[Cl,Br,I]C=[!O!R]		['[Cl,Br,I]C=[!O!R]']
Vinyl_Sulphone	[#6][CH1]!@=[CH1][S;H1,H0$(S(C)C)](=O)(=O)		['[#6][CH1]!@=[CH1][S;H1,H0$(S(C)C)](=O)(=O)']
sulphates	[#6]S(=O)(=O)O		['[#6]S(=O)(=O)O']
tropone	C1C(=O)C=CC=CC=1		['C1C(=O)C=CC=CC=1']
Oxime	[#6]C(=!@N[$(OC),$([OH])])[#6]		['[#6]C(=!@N[$(OC),$([OH])])[#6]']
hydrazone	[#6]C(=!@NNa)[#6]		['[#6]C(=!@NNa)[#6]']
Nitrosone_not_nitro	[$(N(~!@[#6])!@O);!$([N+]([O-])=O)]		['[$(N(~!@[#6])!@O);!$([N+]([O-])=O)]']
Thiocarbonyl_group	C=S		['C=S']
acid_anhydrides_2	[#6]C(=O)!@OC(=!@[N,O])[#6]		['[#6]C(=O)!@OC(=!@[N,O])[#6]']
trifluroacetate_amide	FC(F)(F)C(=O)N		['FC(F)(F)C(=O)N']
triple_bond	[#6]C#[CH]		['[#6]C#[CH]']
Allene	C=C=C		['C=C=C']
thiatetrazolidine	[$(Sc1nnn[nH,n-]1),$(Sc1nn[nH,n-]n1)]		['[$(Sc1nnn[nH,n-]1),$(Sc1nn[nH,n-]n1)]']
oxy-amide	[#6]C(=O)!@C!@C(=O)N		['[#6]C(=O)!@C!@C(=O)N']
formate_formide	O=[CH][O,N][#6]		['O=[CH][O,N][#6]']
pyranone	O=C1C=COC=C1		['O=C1C=COC=C1']
Coumarin	c1cc2C=CC(=O)Oc2cc1		['c1cc2C=CC(=O)Oc2cc1']
aminothiazole	s1ccnc1[N!H0]		['s1ccnc1[N!H0]']
Thiazolidinone	O=C1CSCN1		['O=C1CSCN1']
Thiomorpholinedione	N1C(=O)CSCC1=O		['N1C(=O)CSCC1=O']
oxepine	O1C=CC=CC=C1		['O1C=CC=CC=C1']
cyclobutene	C1CC=C1		['C1CC=C1']
poly_sub_atomatic	*!@c1c(!@*)c(!@*)c(!@*)c(!@*)c1		['*!@c1c(!@*)c(!@*)c(!@*)c(!@*)c1']
Isotopes	[2H,3H,11C,11c,14C,14c,125I,32P,33P,35S]		['[2H,3H,11C,11c,14C,14c,125I,32P,33P,35S]']
Undesirable_Elements_Salts	[Ac,Ag,Am,Ar,As,At,Au,Ba,Be,Bi,Bk,Cd,Ce,Cf,Cm,Cr,Cs,Dy,Er,Eu,Fr,Ga,Gd,Ge,He,Hf,Ho,In,Ir,Kr,La,Lu,Mo,Nb,Nd,Ne,Ni,Np,Os,Pa,Pb,Pd,Pm,Po,Pr,Pt,Pu,Ra,Rb,Re,Rh,Rn,Ru,Sb,Sc,Se,Sm,Sr,Ta,Tb,Tc,Te,Th,Ti,Tl,Tm,U,V,W,Xe,Y,Yb,Zr]		['[Ac,Ag,Am,Ar,As,At,Au,Ba,Be,Bi,Bk,Cd,Ce,Cf,Cm,Cr,Cs,Dy,Er,Eu,Fr,Ga,Gd,Ge,He,Hf,Ho,In,Ir,Kr,La,Lu,Mo,Nb,Nd,Ne,Ni,Np,Os,Pa,Pb,Pd,Pm,Po,Pr,Pt,Pu,Ra,Rb,Re,Rh,Rn,Ru,Sb,Sc,Se,Sm,Sr,Ta,Tb,Tc,Te,Th,Ti,Tl,Tm,U,V,W,Xe,Y,Yb,Zr]']
Metal_Carbon_bond	[#6;$([#6]~[#3,#11,#12,#13,#19,#20,#26,#27,#28,#29,#30])]		['[#6;$([#6]~[#3,#11,#12,#13,#19,#20,#26,#27,#28,#29,#30])]']
Aromatic_N-Oxide_more_than_one	[n+][O-X1].[n+][O-X1]		['[n+][O-X1].[n+][O-X1]']
Nitro_more_than_one	[N+](=O)[O-].[N+](=O)[O-]		['[N+](=O)[O-].[N+](=O)[O-]']
Cyano_gte_2	[C]-[CH0]#[NH0].[C]-[CH0]#[NH0].[C]-[CH0]#[NH0]		['[C]-[CH0]#[NH0].[C]-[CH0]#[NH0].[C]-[CH0]#[NH0]']
Chlor_or_Fluor_gte_5	[Br,Cl,F].[Br,Cl,F].[Br,Cl,F].[Br,Cl,F].[Br,Cl,F].[Br,Cl,F]		['[Br,Cl,F].[Br,Cl,F].[Br,Cl,F].[Br,Cl,F].[Br,Cl,F].[Br,Cl,F]']
Phosphorus_More_Than_1	P.P		['P.P']
gte_2_N_quats	[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]		['[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]']
gte_2_sulfonic_acid	[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1]		['[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1]']