| DEFINE | aryl | |
| DEFINE | arene | |
| DEFINE | Caryl | |
| DEFINE | Calkyne | |
| DEFINE | Calkene | |
| DEFINE | Calkyl | |
| DEFINE | Cstd | |
| DEFINE | hydroxyl | |
| DEFINE | mercapto | |
| DEFINE | halide | |
| DEFINE | iodine | |
| DEFINE | lg_halide | |
| DEFINE | hetatm | |
| DEFINE | Scarbonyl | |
| DEFINE | Cthiocarbonyl | |
| DEFINE | Ocarbonyl | |
| DEFINE | Ccarbonyl | |
| DEFINE | Ssulfoxide | |
| DEFINE | Ssulfone | |
| DEFINE | Ssulfide | |
| DEFINE | pseudo_amine | |
| DEFINE | amine | |
| DEFINE | ring | |
| DEFINE | Ntertiary_amine | |
| DEFINE | Nsecondary_amine | |
| DEFINE | Nprimary_amine | |
| DEFINE | Ophenol | |
| DEFINE | Operoxide | |
| DEFINE | Nnitro | |
| DEFINE | Cnitrile | |
| DEFINE | Nnitrile | |
| DEFINE | Nisothiocyanate | |
| DEFINE | Cisothiocyanate | |
| DEFINE | Nisocyanate | |
| DEFINE | Cisocyanate | |
| DEFINE | Nhydrazone | |
| DEFINE | hydroxylamine | |
| DEFINE | Nhydrazine | |
| DEFINE | Cepoxide | |
| DEFINE | Oepoxide | |
| DEFINE | Pphosphoric_ester | |
| DEFINE | Pphosphoric_acid | |
| DEFINE | Pphosphonic_ester | |
| DEFINE | Pphosphonic_acid | |
| DEFINE | Ssulfonic_ester | |
| DEFINE | Ssulfonic_acid | |
| DEFINE | Cketone | |
| DEFINE | Caldehyde | |
| DEFINE | Cester | |
| DEFINE | Cthioester | |
| DEFINE | Clactone | |
| DEFINE | Cacid_halide | |
| DEFINE | Cacid_chloride | |
| DEFINE | Ccarboxylic_acid | |
| DEFINE | Ocarboxylic_acid | |
| DEFINE | Cthiourea | |
| DEFINE | Nthiourea | |
| DEFINE | Ccarbonate | |
| DEFINE | Ocarbonate | |
| DEFINE | Ccarbamate | |
| DEFINE | Ncarbamate | |
| DEFINE | Ocarbamate | |
| DEFINE | Cthiocarbamate | |
| DEFINE | Nthiocarbamate | |
| DEFINE | Othiocarbamate | |
| DEFINE | Ccarbamic_acid | |
| DEFINE | Nazo | |
| DEFINE | N12triazine | |
| DEFINE | N1triazine | |
| DEFINE | Nazide | |
| DEFINE | Canhydride | |
| DEFINE | Camide | |
| DEFINE | Namide | |
| DEFINE | Cthioamide | |
| DEFINE | Nthioamide | |
| DEFINE | Clactam | |
| DEFINE | Nlactam | |
| DEFINE | Sthiol | |
| DEFINE | Oalcohol | |
| DEFINE | Curea | |
| DEFINE | Nurea | |
| DEFINE | Oether | |
| DEFINE | Cenol_ether | |
| DEFINE | Oenol_ether | |
| DEFINE | Cenamine | |
| DEFINE | Coxalyl | |
| DEFINE | Ooxalyl | |
| DEFINE | Corganometallic | |
| DEFINE | Cdithioacetal | |
| DEFINE | Sdithioacetal | |
| DEFINE | Coxime | |
| DEFINE | Noxime | |
| DEFINE | Ooxime | |
| DEFINE | Cimino | |
| DEFINE | Nimino | |
| DEFINE | Ssulfonyl_halide | |
| DEFINE | Ssulfonamide | |
| DEFINE | Chemiketal | |
| DEFINE | Chemiacetal | |
| DEFINE | OHhemiketal | |
| DEFINE | OEhemiacetal | |
| DEFINE | Cketal | |
| DEFINE | Oketal | |
| DEFINE | Cacetal | |
| DEFINE | Oacetal | |
| DEFINE | Sthioether | |
| DEFINE | Xaryl_halide | |
| DEFINE | Xalkyl_halide | |
| DEFINE | Xalkylating_agent | |
| DEFINE | Sdisulfide | |
| DEFINE | enol_ether | |
| DEFINE | enamine | |
| DEFINE | oxalyl | |
| DEFINE | organometallic | |
| DEFINE | dithioacetal | |
| DEFINE | oxime | |
| DEFINE | imino | |
| DEFINE | sulfonyl_halide | |
| DEFINE | sulfonamide | |
| DEFINE | hemiketal | |
| DEFINE | hemiacetal | |
| DEFINE | ketal | |
| DEFINE | acetal | |
| DEFINE | thioether | |
| DEFINE | ether | |
| DEFINE | aryl_halide | |
| DEFINE | alkyl_halide | |
| DEFINE | alkylating_agent | |
| DEFINE | disulfide | |
| DEFINE | sulfoxide | |
| DEFINE | sulfone | |
| DEFINE | sulfide | |
| DEFINE | tertiary_amine | |
| DEFINE | secondary_amine | |
| DEFINE | primary_amine | |
| DEFINE | phenol | |
| DEFINE | peroxide | |
| DEFINE | nitro | |
| DEFINE | nitrile | |
| DEFINE | isothiocyanate | |
| DEFINE | isocyanate | |
| DEFINE | hydrazone | |
| DEFINE | hydrazine | |
| DEFINE | epoxide | |
| DEFINE | phosphoric_ester | |
| DEFINE | phosphoric_acid | |
| DEFINE | phosphonic_ester | |
| DEFINE | phosphonic_acid | |
| DEFINE | sulfonic_ester | |
| DEFINE | sulfonic_acid | |
| DEFINE | ketone | |
| DEFINE | aldehyde | |
| DEFINE | lactone | |
| DEFINE | ester | |
| DEFINE | thioester | |
| DEFINE | acid_chloride | |
| DEFINE | acid_halide | |
| DEFINE | carboxylic_acid | |
| DEFINE | thiocarbonyl | |
| DEFINE | carbonyl | |
| DEFINE | thiourea | |
| DEFINE | carbonate | |
| DEFINE | carbamic_acid | |
| DEFINE | carbamate | |
| DEFINE | thiocarbamate | |
| DEFINE | azo | |
| DEFINE | triazine | |
| DEFINE | azide | |
| DEFINE | aniline_unsubstituted | |
| DEFINE | aniline | |
| DEFINE | anhydride | |
| DEFINE | thioamide | |
| DEFINE | amide | |
| DEFINE | lactam | |
| DEFINE | alkyne | |
| DEFINE | alkene | |
| DEFINE | thiol | |
| DEFINE | alcohol | |
| DEFINE | urea | |
| DEFINE | aryl_mono_BrI | |
| DEFINE | mono_alkyne | |
| DEFINE | mono_alkene | |
| DEFINE | alkyl | |
| DEFINE | nucleophile | |
| DEFINE | malonic | |
| DEFINE | base | |
| DEFINE | acid | |
| DEFINE | charge | |
| DEFINE | long_aliphatic_chain | |
| DEFINE | michael_acceptor | |
| DEFINE | beta_halo_carbonyl | |
| DEFINE | triphenyl_phosphene | |
| DEFINE | unbranched_chain | |
| DEFINE | amino_acid | |
| DEFINE | di_peptide | |
| DEFINE | hetero_hetero | |
| DEFINE | halopyrimidine | |
| DEFINE | methyl_ketone | |
| DEFINE | perhalo_ketone | |
| DEFINE | aziridine | |
| DEFINE | imine | |
| DEFINE | dye1 | |
| DEFINE | dye2 | |
| DEFINE | dye3 | |
| DEFINE | dye4 | |
| DEFINE | dye5 | |
| DEFINE | dye6 | |
| DEFINE | dye7 | |
| DEFINE | dye8 | |
| DEFINE | dye9 | |
| DEFINE | dye10 | |
| DEFINE | dye11 | |
| DEFINE | dye12 | |
| DEFINE | dye13 | |
| DEFINE | dye14 | |
| DEFINE | dye15 | |
| DEFINE | dye16 | |
| DEFINE | dye17 | |
| DEFINE | dye18 | |
| DEFINE | dye19 | |
| DEFINE | dye20 | |
| DEFINE | dye21 | |
| DEFINE | dye22 | |
| DEFINE | dye23 | |
| DEFINE | dye24 | |
| DEFINE | dye25 | |
| DEFINE | dye26 | |
| DEFINE | dye27 | |
| DEFINE | dye28 | |
| DEFINE | dye29 | |
| DEFINE | dye30 | |
| DEFINE | dye31 | |
| DEFINE | dye32 | |
| PATTERN | aryl | [a] |
| PATTERN | arene | [c] |
| PATTERN | hydroxyl | [$hydroxyl] |
| PATTERN | mercapto | [$mercapto] |
| PATTERN | halide | [$halide] |
| PATTERN | iodine | [$iodine] |
| PATTERN | hetatm | [$hetatm] |
| PATTERN | pseudo_amine | [$pseudo_amine] |
| PATTERN | amine | [$amine] |
| PATTERN | ring | [R] |
| PATTERN | hydroxylamine | [$hydroxylamine] |
| PATTERN | enol_ether | [$Cenol_ether] |
| PATTERN | enamine | [$Cenamine] |
| PATTERN | oxalyl | [$Coxalyl] |
| PATTERN | organometallic | [$Corganometallic] |
| PATTERN | dithioacetal | [$Cdithioacetal] |
| PATTERN | oxime | [$Coxime] |
| PATTERN | imino | [$Cimino] |
| PATTERN | sulfonyl_halide | [$Ssulfonyl_halide] |
| PATTERN | sulfonamide | [$Ssulfonamide] |
| PATTERN | hemiketal | [$Chemiketal] |
| PATTERN | hemiacetal | [$Chemiacetal] |
| PATTERN | ketal | [$Cketal] |
| PATTERN | acetal | [$Cacetal] |
| PATTERN | thioether | [$Sthioether] |
| PATTERN | ether | [$Oether] |
| PATTERN | aryl_halide | [$Xaryl_halide] |
| PATTERN | alkyl_halide | [$Xalkyl_halide] |
| PATTERN | alkylating_agent | [$Xalkylating_agent] |
| PATTERN | disulfide | [$Sdisulfide] |
| PATTERN | sulfoxide | [$Ssulfoxide] |
| PATTERN | sulfone | [$Ssulfone] |
| PATTERN | sulfide | [$Ssulfide] |
| PATTERN | tertiary_amine | [$Ntertiary_amine] |
| PATTERN | secondary_amine | [$Nsecondary_amine] |
| PATTERN | primary_amine | [$Nprimary_amine] |
| PATTERN | phenol | [$Ophenol] |
| PATTERN | peroxide | [$Operoxide] |
| PATTERN | nitro | [$Nnitro] |
| PATTERN | nitrile | [$Cnitrile] |
| PATTERN | isothiocyanate | [$Nisothiocyanate] |
| PATTERN | isocyanate | [$Nisocyanate] |
| PATTERN | hydrazone | [$Nhydrazone] |
| PATTERN | hydrazine | [$Nhydrazine] |
| PATTERN | epoxide | [$Cepoxide] |
| PATTERN | phosphoric_ester | [$Pphosphoric_ester] |
| PATTERN | phosphoric_acid | [$Pphosphoric_acid] |
| PATTERN | phosphonic_ester | [$Pphosphonic_ester] |
| PATTERN | phosphonic_acid | [$Pphosphonic_acid] |
| PATTERN | sulfonic_ester | [$Ssulfonic_ester] |
| PATTERN | sulfonic_acid | [$Ssulfonic_acid] |
| PATTERN | ketone | [$Cketone] |
| PATTERN | aldehyde | [$Caldehyde] |
| PATTERN | lactone | [$Clactone] |
| PATTERN | ester | [$Cester] |
| PATTERN | thioester | [$Cthioester] |
| PATTERN | acid_chloride | [$Cacid_chloride] |
| PATTERN | acid_halide | [$Cacid_halide] |
| PATTERN | carboxylic_acid | [$Ccarboxylic_acid] |
| PATTERN | thiocarbonyl | [$Cthiocarbonyl] |
| PATTERN | carbonyl | [$Ccarbonyl] |
| PATTERN | thiourea | [$Nthiourea] |
| PATTERN | carbonate | [$Ocarbonate] |
| PATTERN | carbamic_acid | [$Ccarbamic_acid] |
| PATTERN | carbamate | [$Ocarbamate,$Ncarbamate] |
| PATTERN | thiocarbamate | [$Othiocarbamate,$Nthiocarbamate] |
| PATTERN | azo | [$Nazo] |
| PATTERN | triazine | [$N1triazine,$N12triazine] |
| PATTERN | azide | [$Nazide] |
| PATTERN | aniline_unsubstituted | [$aniline_unsubstituted] |
| PATTERN | aniline | [$aniline] |
| PATTERN | anhydride | [$Canhydride] |
| PATTERN | thioamide | [$Cthioamide] |
| PATTERN | amide | [$Camide] |
| PATTERN | lactam | [$Clactam] |
| PATTERN | alkyne | [$Calkyne] |
| PATTERN | alkene | [$Calkene] |
| PATTERN | thiol | [$Sthiol] |
| PATTERN | alcohol | [$Oalcohol] |
| PATTERN | urea | [$Nurea] |
| PATTERN | aryl_mono_BrI | [$aryl_mono_BrI] |
| PATTERN | mono_alkyne | [$mono_alkyne] |
| PATTERN | mono_alkene | [$mono_alkene] |
| PATTERN | alkyl | [$Calkyl] |
| PATTERN | nucleophile | [$nucleophile] |
| PATTERN | malonic | [$malonic] |
| PATTERN | base | [$base] |
| PATTERN | acid | [$acid] |
| PATTERN | charge | [$charge] |
| PATTERN | long_aliphatic_chain | [$long_aliphatic_chain] |
| PATTERN | michael_acceptor | [$michael_acceptor] |
| PATTERN | triphenyl_phosphene | [$triphenyl_phosphene] |
| PATTERN | unbranched_chain | [$unbranched_chain] |
| PATTERN | amino_acid | [$amino_acid] |
| PATTERN | di_peptide | [$di_peptide] |
| PATTERN | beta_halo_carbonyl | [$beta_halo_carbonyl] |
| PATTERN | hetero_hetero | [$hetero_hetero] |
| PATTERN | halopyrimidine | [$halopyrimidine] |
| PATTERN | methyl_ketone | [$methyl_ketone] |
| PATTERN | perhalo_ketone | [$perhalo_ketone] |
| PATTERN | aziridine | [$aziridine] |
| PATTERN | imine | [$imine] |
| PATTERN | dye | [$dye1,$dye2,$dye3,$dye4,$dye5,$dye6,$dye7,$dye8,$dye9,$dye10,$dye11,$dye12,$dye13,$dye14,$dye15,$dye16,$dye17,$dye18,$dye19,$dye20,$dye21,$dye22,$dye23,$dye24,$dye25,$dye26,$dye27,$dye28,$dye29,$dye30,$dye31,$dye32] |
| PATTERN | Carbazides | O=CN=[N+]=[N-] |
| PATTERN | Acid_anhydrides | C(=O)OC(=O) |
| PATTERN | Pentafluorophenyl_esters | C(=O)Oc1c(F)c(F)c(F)c(F)c1(F) |
| PATTERN | Paranitrophenyl_esters | C(=O)Oc1ccc(N(=O)=O)cc1 |
| PATTERN | HOBT_esters | C(=O)Onnn |
| PATTERN | Triflates | OS(=O)(=O)C(F)(F)F |
| PATTERN | Lawesson_s_reagent | P(=S)(S)S |
| PATTERN | Phosphoramides | NP(=O)(N)N |
| PATTERN | Aromatic_azides | cN=[N+]=[N-] |
| PATTERN | Beta_carbonyl_quart_nitrogen | C(=O)C[N+,n+] |
| PATTERN | Acylhydrazide | [!a][N;R0][N;R0]C(=O) |
| PATTERN | Quarternary_C_Cl_I_P_or_S | [C+,Cl+,I+,P+,S+] |
| PATTERN | Phosphoranes | C=P |
| PATTERN | Chloramidines | [Cl]C([C&R0])=N |
| PATTERN | Nitroso | [N&D2](=O) |
| PATTERN | P_S_Halides | [P,S][Cl,Br,F,I] |
| PATTERN | Carbodiimide | N=C=N |
| PATTERN | Isonitrile | [N+]#[C-] |
| PATTERN | Triacyloxime | C(=O)N(C(C=O))OC(=O) |
| PATTERN | Cyanohydrins | N#CC[OH] |
| PATTERN | Acyl_cyanides | N#CC(=O) |
| PATTERN | Sulfonyl_cyanides | S(=O)(=O)C#N |
| PATTERN | Cyanophosphonates | P(OCC)(OCC)(=O)C#N |
| PATTERN | Azocyanamides | [N;R0]=[N;R0]C#N |
| PATTERN | Azoalkanals | [N;R0]=[N;R0]CC=O |
| PATTERN | Polyenes | C=CC=CC=CC=C |
| PATTERN | Saponin_derivatives | O1CCCCC1OC2CCC3CCCCC3C2 |
| PATTERN | Cytochalasin_derivatives | O=C1NCC2CCCCC21 |
| PATTERN | Cycloheximide_derivatives | O=C1CCCC(N1)=O |
| PATTERN | Monensin_derivatives | O1CCCCC1C2CCCO2 |
| PATTERN | Cyanidin_derivatives | [OH]c1cc([OH])cc2[O+]=C(C([OH])=Cc21)c3cc([OH])c([OH])cc3 |
| PATTERN | Squalestatin_derivatives | C12OCCC(O1)CC2 |