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Sleeping
| "alert_name","smarts" | |
| "> 2 ester groups","C(=O)O[C,H1].C(=O)O[C,H1].C(=O)O[C,H1]" | |
| "2-halo pyridine","n1c([F,Cl,Br,I])cccc1" | |
| "acid halide","C(=O)[Cl,Br,I,F]" | |
| "acyclic C=C-O","C=[C!r]O" | |
| "acyl cyanide","N#CC(=O)" | |
| "acyl hydrazine","C(=O)N[NH2]" | |
| "aldehyde","[CH1](=O)" | |
| "Aliphatic long chain","[R0;D2][R0;D2][R0;D2][R0;D2]" | |
| "alkyl halide","[CX4][Cl,Br,I]" | |
| "amidotetrazole","c1nnnn1C=O" | |
| "aniline","c1cc([NH2])ccc1" | |
| "azepane","[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1" | |
| "Azido group","N=[N+]=[N-]" | |
| "Azo group","N#N" | |
| "azocane","[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1" | |
| "benzidine","[cR2]1[cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2][cR2]1[cR2]2[cR2][cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2]2" | |
| "beta-keto/anhydride","[C,c](=O)[CX4,CR0X3,O][C,c](=O)" | |
| "biotin analogue","C12C(NC(N1)=O)CSC2" | |
| "Carbocation/anion","[C+,c+,C-,c-]" | |
| "catechol","c1c([OH])c([OH,NH2,NH])ccc1" | |
| "charged oxygen or sulfur atoms","[O+,o+,S+,s+]" | |
| "chinone","C1(=[O,N])C=CC(=[O,N])C=C1" | |
| "chinone","C1(=[O,N])C(=[O,N])C=CC=C1" | |
| "conjugated nitrile group","C=[C!r]C#N" | |
| "crown ether","[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]" | |
| "cumarine","c1ccc2c(c1)ccc(=O)o2" | |
| "cyanamide","N[CH2]C#N" | |
| "cyanate/aminonitrile/thiocyanate","[N,O,S]C#N" | |
| "cyanohydrins","N#CC[OH]" | |
| "cycloheptane","[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2]1" | |
| "cycloheptane","[CR2]1[CR2][CR2]cc[CR2][CR2]1" | |
| "cyclooctane","[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2][CR2]1" | |
| "cyclooctane","[CR2]1[CR2][CR2]cc[CR2][CR2][CR2]1" | |
| "diaminobenzene","[cR2]1[cR2]c([N+0X3R0,nX3R0])c([N+0X3R0,nX3R0])[cR2][cR2]1" | |
| "diaminobenzene","[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2]c([N+0X3R0,nX3R0])[cR2]1" | |
| "diaminobenzene","[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2][cR2]c1([N+0X3R0,nX3R0])" | |
| "diazo group","[N!R]=[N!R]" | |
| "diketo group","[C,c](=O)[C,c](=O)" | |
| "disulphide","SS" | |
| "enamine","[CX2R0][NX3R0]" | |
| "ester of HOBT","C(=O)Onnn" | |
| "four member lactones","C1(=O)OCC1" | |
| "halogenated ring","c1cc([Cl,Br,I,F])cc([Cl,Br,I,F])c1[Cl,Br,I,F]" | |
| "halogenated ring","c1ccc([Cl,Br,I,F])c([Cl,Br,I,F])c1[Cl,Br,I,F]" | |
| "heavy metal","[Hg,Fe,As,Sb,Zn,Se,se,Te,B,Si]" | |
| "het-C-het not in ring","[NX3R0,NX4R0,OR0,SX2R0][CX4][NX3R0,NX4R0,OR0,SX2R0]" | |
| "hydantoin","C1NC(=O)NC(=O)1" | |
| "hydrazine","N[NH2]" | |
| "hydroquinone","[OH]c1ccc([OH,NH2,NH])cc1" | |
| "hydroxamic acid","C(=O)N[OH]" | |
| "imine","C=[N!R]" | |
| "imine","N=[CR0][N,n,O,S]" | |
| "iodine","I" | |
| "isocyanate","N=C=O" | |
| "isolated alkene","[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]=[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]" | |
| "ketene","C=C=O" | |
| "methylidene-1,3-dithiole","S1C=CSC1=S" | |
| "Michael acceptor","C=!@CC=[O,S]" | |
| "Michael acceptor","[$([CH]),$(CC)]#CC(=O)[C,c]" | |
| "Michael acceptor","[$([CH]),$(CC)]#CS(=O)(=O)[C,c]" | |
| "Michael acceptor","C=C(C=O)C=O" | |
| "Michael acceptor","[$([CH]),$(CC)]#CC(=O)O[C,c]" | |
| "N oxide","[NX2,nX3][OX1]" | |
| "N-acyl-2-amino-5-mercapto-1,3,4-thiadiazole","s1c(S)nnc1NC=O" | |
| "N-C-halo","NC[F,Cl,Br,I]" | |
| "N-halo","[NX3,NX4][F,Cl,Br,I]" | |
| "N-hydroxyl pyridine","n[OH]" | |
| "nitro group","[N+](=O)[O-]" | |
| "N-nitroso","[#7]-N=O" | |
| "oxime","[C,c]=N[OH]" | |
| "oxime","[C,c]=NOC=O" | |
| "Oxygen-nitrogen single bond","[OR0,NR0][OR0,NR0]" | |
| "perfluorinated chain","[CX4](F)(F)[CX4](F)F" | |
| "peroxide","OO" | |
| "phenol ester","c1ccccc1OC(=O)[#6]" | |
| "phenyl carbonate","c1ccccc1OC(=O)O" | |
| "phosphor","P" | |
| "phthalimide","[cR,CR]~C(=O)NC(=O)~[cR,CR]" | |
| "Polycyclic aromatic hydrocarbon","a1aa2a3a(a1)A=AA=A3=AA=A2" | |
| "Polycyclic aromatic hydrocarbon","a21aa3a(aa1aaaa2)aaaa3" | |
| "Polycyclic aromatic hydrocarbon","a31a(a2a(aa1)aaaa2)aaaa3" | |
| "polyene","[CR0]=[CR0][CR0]=[CR0]" | |
| "quaternary nitrogen","[s,S,c,C,n,N,o,O]~[nX3+,NX3+](~[s,S,c,C,n,N])~[s,S,c,C,n,N]" | |
| "quaternary nitrogen","[s,S,c,C,n,N,o,O]~[n+,N+](~[s,S,c,C,n,N,o,O])(~[s,S,c,C,n,N,o,O])~[s,S,c,C,n,N,o,O]" | |
| "quaternary nitrogen","[*]=[N+]=[*]" | |
| "saponine derivative","O1CCCCC1OC2CCC3CCCCC3C2" | |
| "silicon halogen","[Si][F,Cl,Br,I]" | |
| "stilbene","c1ccccc1C=Cc2ccccc2" | |
| "sulfinic acid","[SX3](=O)[O-,OH]" | |
| "Sulfonic acid","[C,c]S(=O)(=O)O[C,c]" | |
| "Sulfonic acid","S(=O)(=O)[O-,OH]" | |
| "sulfonyl cyanide","S(=O)(=O)C#N" | |
| "sulfur oxygen single bond","[SX2]O" | |
| "sulphate","OS(=O)(=O)[O-]" | |
| "Sulphur-nitrogen single bond","[SX2H0][N]" | |
| "Thiobenzothiazole","c12ccccc1(SC(S)=N2)" | |
| "thiobenzothiazole","c12ccccc1(SC(=S)N2)" | |
| "Thiocarbonyl group","[C,c]=S" | |
| "thioester","SC=O" | |
| "thiol","[S-]" | |
| "thiol","[SH]" | |
| "Three-membered heterocycle","*1[O,S,N]*1" | |
| "triflate","OS(=O)(=O)C(F)(F)F" | |
| "triphenyl methylsilyl","[SiR0,CR0](c1ccccc1)(c2ccccc2)(c3ccccc3)" | |
| "triple bond","C#C" | |