1_1_di_cyano 1_3_diazetidine_2_one 2_2_dimethyl_4_5_dicarboxy_dithiole 2_amino_3_carbonyl_2_thiopene 2_aminothiophene_3_carbaldehyde 2_hydroxy_phenyl_hydrazone 2_nitro_furans_and_pyrroles 2_pyridyl_N_hydroxy_imide 3_alpha_peptide_cycle 3_consecutive_aliphatic_nitrogen 3_consecutive_aliphatic_nitrogen_subst 3_halo_pyridazine_2_EWG 3_halo_pyridazine_4_EWG 3_ring_unsaturated 3_ring_with_2_heteroatoms 4_hydroxy_phenyl_hydrazone 5_ring_acyl 9_10_diphenyl_anthracene acetal_aminal_acyclic acetal_aminal_cyclic acetyl_urea acid_anhydride_acyclic acid_anhydride_cyclic acid_anhydrides_2 acid_count_3 activated_4membered_ring activated_S_or_O_in_3_ring acyclic_enolate acyclic_cyanohydrin acyclic_enolate acyclic_N-C-N acyclic_nitroamino acyl_cyanide adjacent_ring_double_bonds aldehyde_aliphatic aldehyde_aromatic aldimin_acyclic alkyl_chain_CH2_count_10 allene allyl_terminal alpha_chloro_amides_esters_amidines alpha_cyano_acrylamides alpha_halo_amine alpha_halo_EWG alpha_halo_heteroatom alpha_peptide amide_acyclic_count_2 amidines amino_acid amino_acridine amino_glycoside_streptamine amino_naphtalimide aminothiazol aminothiophene_dioxides aniline_alkyl_ene aniline_no_alkyl ansa_aromatics anthracen anthracen_diels_alder_adduct anthranil_one anthrones aromatc_alkinyl_hetero_aromatic aromatic_ether_count_5 aryl_sulfone_activated azanitrone azide azide_acylated aziridine_episulfide aziridine_like_N_in_3_membered_ring azocyanamides basic_amine_count_4 benzamidine benzhydrol benzisothiazolone benzofurazanes benzoisothiazolone benzothiazol_amine beta_alpha_mixed_peptide_1 beta_alpha_mixed_peptide_2 beta_carbonyl_quaternary_nitrogen beta_lactame beta_lactone beta_peptide betalactam_EWG biotin bis_activated_aryl_ester bis_picolylamines bis_sulfonyl_amide boronic_acid branched_polycyclic_aromatic C_S_double_bond_count C3_linker_simple_count_3 carbanion carbodiimides carboxyclic_acid_halides carboxylic_acid_count_3 catechole CF2_CF3_acetal CF2_CF3_count_3 CF2_CF3_count_5 CH_alkinyl_EWG CH_alkinyl_HetAr chelator_phenathrolin_like chlorates conjugated_alkenes conjugated_dithioether crown_ether cumarine Cyanamides cyanate cyanhydrine cyano_imine cyanopyridone_2 cyanopyridone_1 cyclobutene cycloheximide_derivatives cyclosporine cysteine hydroxamate dhp_bis_amino_biscyano di_oxalic_acid_imide diacetylene diarylamines diazo_acyl diazonium dicarbonimidic_diamide dicarbonyl_sulfonamide dicyano_vinyl diene_thione diketene_acetals diketone_1_2 dithiole_2_thione_1 dithiole_2_thione_2 double_michael_acceptor dye_1 dye_2 dyes_like_NN_doublebond element_P_count_2 element_S_count_2 elements_forbidden elements_penalized en_barbiturates enamine_aliphatic ene_five_het ene_five_membered_one ene_one_ene ene_one_halogen enol_ester enolether_enolester enyne epoxide_terminal ergot_alkoloid ester_count_3 ester_count_5 ether_bond_count_5 farnesyl_geranyl fatty_acid flavonoid fluorene_fmoc fluorescein fluoro_methyl_ketone four_nitriles furane_pyrrole_thiophene_count_2 fused_cyclopentene_quinolines glycoside_01 glycoside_02 glycoside_03 glycoside_04 glycoside_05 glycoside_06 glycoside_07 glycoside_08 glycoside_09 glycoside_10 glycoside_11 glycoside_12 glycoside_13 glycoside_14 glycoside_15 glycoside_16 glycoside_17 glycoside_18 glycoside_19 guanidines gylcerol_long_chain_ether halo_alkynes halo_ether halo_olefin_bis_EWG halo_phenoxy_ketone halogen_aliphatic_count_3 halogen_alkyl halogen_alkyl_count_2 halogen_aromatic_count_3 halogen_heteroatom_bond halogen_hypervalent halogen_vinyl halogenated_hetero_aromates hemiacetal hetero_imides heteroarylsulfides heterocycle_exo_double_bond_1 heterocycle_exo_double_bond_2 heterocycle_exo_double_bond_3 heterocycle_exo_double_bond_4 heterocycle_exo_double_bond_5 HOBT_ester hydantoin hydrazine hydrazine_1_2_diacyl_acyclic hydrazine_aldehyde hydrazine_ketone hydrazothiourea hydroquinone hydroxamic_acid hydroxy_methyl_amine hydroxyl_amine_ester hydroxyl_count_6 hypofluorous_sulfinic_anhydride_FOSO imidazol_2_halogenated imidic_anhydrides imine_nonterminal imine_terminal imine_halogenated imine_one_five_membered imine_one_isatin imine_one_six_membered indol_3yl_alkyl iso_flavonoid isocyanate isontrile isotope_C13 isotope_C14 isotope_I125 isotope_N15 isotope_N16 isotope_O17 isotope_O18 isotope_S35 isotope_T ketals _or_acetals ketene ketimines_acyclic keto_aldehyde_or_acetal keto_keto_beta labile_ester_2 lawessons_reagent_and_derivatives lipid_phospho_1 lipid_phospho_2 long_chain_aliphatic long_chain_flexible_C maleimides mannich_base_phenolic meldrums_acid_deriv methyl_group_count_aromatic_ring methylene_1_3_5_thiadiazines methylsulfanyl_thiopyranone michael acceptor_1 michael_acceptor_2 michael_acceptor_CH2_terminal michael_acceptor_double_act michael_acceptor_3 N_acyl_123_triazole N_acyl_134_triazole N_acyl_2_amino_5_mercapto_1_3_4_thiadiazole N_amido_tetrazole N_hydroxyl _pyridine N_hydroxyl_imide_ester N_mercapto_thioamide N_O_single_bond N_oxide_sp2 N_oxide_sp2_count_2 N_oxides NCCN_potential_chelating negativly_charged_sulfur nitrate nitrile_N_oxide nitro_count_1 nitro_count_2 nitro_count_3 nitroalkane nitrobenz_azadiazole nitrone nitroso_simple NP_SP_PP_single_bond_acyclic nucleoside_1 nucleoside_2 nucleoside_3 nucleoside_4 nucleoside_5 nucleoside_6 nucleoside_7 nucleoside_8 organo_phospho_cyanide ortho_di_cyano_aromate ortho_nitrophenyl_carbonyl o-tertbutylphenol oxalic_acid_diamide_count oxaziridine oxepine oxim oxim_ester oxobenzothiepine ozonide para_nitro_arylamines para_nitrophenyl_ester paranitrophenyl_esters peptide_analogue_01 peptide_analogue_02 peptide_analogue_03 peptide_analogue_04 peptide_analogue_05 peptide_analogue_06 peptide_analogue_07 peptide_analogue_08 peptide_analogue_09 peptide_analogue_10 perchlorates perchloro_cp perchloroquinone perhalo_phenyl permanent_positive_charge peroxide_endo peroxide_terminal phenalene phenanthren phenol_ester phenolic_OH_count_2 phenolic_OH_count_3 phenoxazines phenyl_DHP phosphazenes phospho_threonine phosphonamide_thiophosphonic_anhydride phosphor_not_PO3_PO4 phosphoramides phosphorus_phosphorus_bond PO3 _groups polycyclic_systems_14_atoms polycyclic_systems_16_atoms polycyclic_systems_18_atoms polyenes polyhalo_phenol_1 polyhalo_phenol_2 polyhalo_phenol_3 polyhalo_phenol_esters polyhalogenated_aromate porphyrin prostaglandine pyranone pyrimidinetriones pyrimido_triazine_dione pyrrole_1 pyrrole_2 pyrrolo_quinoxalin_amine quinolin_8_ol quinone_1_2 quinone_1_4 quinone_methide quinone_methide_1_2 quinone_methide_1_4 reactive_halo_pyrazine reactive_halo_pyrazine_2 reactive_halo_pyridazine reactive_halo_pyridine reactive_halo_pyrimidine reactive_halogen_on_carbon_with_heteroatom reactive_halogen_on_carbon_with_S retinoid rhodamine_sat rhodamine rhodanine ring_triple_bond S_N_double_bond_acyclic S_S_single_bond saponin_derivatives Si_N_bonds SO3_groups sp3_carbon_with_4_het_substit sphingosine ss_double_bond staurosporine steroid steroid_a_arom steroid_non_arom stilbene_analogs sulfanamine sulfanetriol sulfonic_acid_nitril sulfonyl_anhydride sulfonyl_count_2 sulfonyl_cyanides sulfonyl_fluoride sulfur_nitrogen_singleBond terminal_vinyl tert_butyl_count_3 tertiary_halide_sulfate tetraazinane thiadiazolones thiatetrazolidine thiazolidine_2_4_dione_5_met thiazolidinediones thiazolidines thio_ketone thiobenzothiazole_2 thiobenzothiazole_1 thiocarbamate thiocarbamate_5_ring thiocarbonate thiocyanate thioester_acyclic thioester_thiolactone thioether_count_2 thiol_count_2 thiomorpholinedione thionoester thioperoxide thiophene_hydroxy thiophene_simple thiophosphothionate thiosulfoxide thiourea_thioester_cyclic thiuram_disulfide_dithiocarbamate triacylamine triaryl_phosphine_oxide triazine_alkyl triazolol_esters tricarbonyls trichloromethyl_ketone triflates_aliphatic triflates_aromatic trifluoro_ethanol trifluoro_trichloro_acetic_aci trifluoroacetate_thioester trifluoromethyl_ketone trifluroacetate_amide triphenyl_Silyl trityl_group_simple tropone vinyl_carbonyl_EWG vinyl_sulphone xanthate

SMARTS filters used to annotate and filter compounds for hit and lead finding

Filter: 1_1_di_cyano


Number of matches in PubChem v2018: 64553
Examples taken from PubChem v2018 matching the filter: Cl O N N Cl CID 100975698 N N N CID 100975862 N S S N N N CID 100976129 N S N N N CID 100976132 N N N+ O O- CID 100976403

Filter: 1_3_diazetidine_2_one


Number of matches in PubChem v2018: 3414
Examples taken from PubChem v2018 matching the filter: O O O O O O NH N O N O N O CID 87586130 N+ O NH NH S O O F F CID 87595006 N O N O N O N O CID 89025310 O O O CID 134686840 O O O O O O- O O O- Ca+2 CID 134691335

Filter: 2_2_dimethyl_4_5_dicarboxy_dithiole


Number of matches in PubChem v2018: 532
Examples taken from PubChem v2018 matching the filter: N O N O O S S S O O O O O O O O H H CID 99652051 O O S NH S S O O O O CID 3289516 O O S S O O O O CID 14954560 O O S S S S O O O O F F F F F F F F O O CID 12072575 O O S S S O O O O N O O H H CID 98457036

Filter: 2_amino_3_carbonyl_2_thiopene


Number of matches in PubChem v2018: 31210
Examples taken from PubChem v2018 matching the filter: O O S Cl NH O O O N N N N CID 42237686 S NH O H2N O O F CID 39177957 O O S S NH O H2N CID 39177866 O N O S NH O O OH CID 87592547 O NH S O O O CID 24518932

Filter: 2_aminothiophene_3_carbaldehyde


Number of matches in PubChem v2018: 12176
Examples taken from PubChem v2018 matching the filter: S H2N O NH O CID 100988081 S O NH2 H2N CID 81531778 O O S NH2 O O CID 39197617 O O S NH O NH2 CID 87591712 N S NH2 O O O CID 89025698

Filter: 2_hydroxy_phenyl_hydrazone


Number of matches in PubChem v2018: 100
Examples taken from PubChem v2018 matching the filter: OH OH N NH N+ O O- N+ O O- OH OH N NH N+ O O- N+ O O- HO HO CID 18528860 N NH N O NH N N NH N NH HO NH CID 101267698 OH NH+ N O CID 88185508 O NH O N O N O NH O OH O NH O OH O NH2 N OH OH NH O N O O HO NH O N O NH S NH O HO O O HO HO CID 16158377 N O NH N+ HO Br OH Br CID 123177527

Filter: 2_nitro_furans_and_pyrroles


Number of matches in PubChem v2018: 40096
Examples taken from PubChem v2018 matching the filter: O N F N O N+ O O- CID 100976276 O NH N O N+ O O- CID 100978109 N N+ O O- O N+ O F F F F F F F F CID 100986085 N N O N+ O O- O O CID 100992025 O O O O O O N+ O O- O Si O O O O O O CID 100995932

Filter: 2_pyridyl_N_hydroxy_imide


Number of matches in PubChem v2018: 18
Examples taken from PubChem v2018 matching the filter: O N O O N F F F Cl CID 1486829 NH N N N NH O N O O CID 322698 N N O N O O NH O OH CID 44157541

Filter: 3_alpha_peptide_cycle


Number of matches in PubChem v2018: 188
Examples taken from PubChem v2018 matching the filter: O NH O NH O NH N NH2 NH2 O OH CID 11198227 O OH NH O O NH O NH O NH O OH O P O OH HO CID 56675166 O N O NH O NH NH2 O OH NH2 CID 56675769 O NH O NH O NH OH CID 58652449 NH O NH O NH O NH NH OH CID 58652442

Filter: 3_consecutive_aliphatic_nitrogen


Number of matches in PubChem v2018: 11700
Examples taken from PubChem v2018 matching the filter: O O N N N N N O O CID 100984231 NH S O O N N NH H2N N N N- CID 100985659 O NH NH NH O HN N OH NH2 O CID 129260115 O NH NH NH O HN N N N CID 129260180 N NH N N CID 129263474

Filter: 3_consecutive_aliphatic_nitrogen_subst


Number of matches in PubChem v2018: 64078
Examples taken from PubChem v2018 matching the filter: O O N N N N N O O CID 100984231 NH S O O N N NH H2N N N N- CID 100985659 O O N N NH N N N O O CID 100986371 O O N+ N N CID 100988964 N N N N N N N N N CID 100990233

Filter: 3_halo_pyridazine_2_EWG


Number of matches in PubChem v2018: 479
Examples taken from PubChem v2018 matching the filter: O N N O O N NH NH2 N H2N Cl CID 123757028 N O N O OH Cl Cl CID 84075935 N NH O O OH Cl CID 84075936 O N N Br O OH CID 84075938 N N N Cl CID 131606840

Filter: 3_halo_pyridazine_4_EWG


Number of matches in PubChem v2018: 119
Examples taken from PubChem v2018 matching the filter: N N O N N O F Br O CID 68368684 N NH O N+ O O- Cl CID 84075860 O N N O OH Br O CID 84075927 O N N Cl O CID 84075930 O N N Br Br I CID 125475839

Filter: 3_ring_unsaturated


Number of matches in PubChem v2018: 33166
Examples taken from PubChem v2018 matching the filter: O CID 100975761 O N+ O O- N+ O O- CID 100975763 2H CID 100977273 2H CID 100977276 N S O O O O N H CID 100981594

Filter: 3_ring_with_2_heteroatoms


Number of matches in PubChem v2018: 18554
Examples taken from PubChem v2018 matching the filter: S S H CID 100975742 O SiH2 CID 100982690 B B O Br Br CID 100983563 BH BH O CID 100983564 B B O CID 100983565

Filter: 4_hydroxy_phenyl_hydrazone


Number of matches in PubChem v2018: 95
Examples taken from PubChem v2018 matching the filter: OH N N O O O O O O N N HO CID 23568280 O O O OH N NH N+ O O- N+ O O- OH O O O N NH N+ O O- N+ O O- CID 119076910 N O NH N+ HO Br OH Br CID 123177527 N S NH NH S O S NH NH S N Cl O NH N Br HO Br S O O O- S O O O- S O O O- S O O O- O NH N Br OH Br Cl CID 57908865 N O P S N N O P N P N P N O N N P S O N O N O O N N P S O N P O OH HO P O OH HO O N P O OH OH P O OH OH O N N P S O N O N P O OH OH P O HO OH O N N O P S N N OH O N P O OH OH P O OH OH O P+ O HO OH P O O OH P O O OH P O O OH P O O CID 91414123

Filter: 5_ring_acyl


Number of matches in PubChem v2018: 40859
Examples taken from PubChem v2018 matching the filter: O N F N O N+ O O- CID 100976276 O NH N N O NH N O N N CID 100978759 N N O N O N F N+ O- CID 100979323 O O NH O N O OH N CID 100985337 O N N N N NH S Cl S O O NH2 CID 129252605

Filter: 9_10_diphenyl_anthracene


Number of matches in PubChem v2018: 50931
Examples taken from PubChem v2018 matching the filter: O H H CID 100994182 O OH O O F OH F CID 100997455 O CID 129254626 N N N N CID 129256953 N CID 89026919

Filter: acetal_aminal_acyclic


Number of matches in PubChem v2018: 7775806
Examples taken from PubChem v2018 matching the filter: O Si O CID 100975403 N NH+ HO CID 100975415 NH+ N OH CID 100975417 O N O N O F F F O F F F CID 100975466 O N N N N F F F O O O NH2 O CID 100975558

Filter: acetal_aminal_cyclic


Number of matches in PubChem v2018: 1081391
Examples taken from PubChem v2018 matching the filter: N OH O O O OH OH OH OH OH H H H H CID 100975477 O O O Si H CID 100975524 O O N O O O OH CID 100975540 B O O O O Si CID 100975649 O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898

Filter: acetyl_urea


Number of matches in PubChem v2018: 231887
Examples taken from PubChem v2018 matching the filter: O NH O NH OH OH CID 100982685 NH O NH O N O NH2 CID 100992529 NH N S O O N O O NH CID 129252573 N O O N O CID 129252606 NH O NH O N N S F F CID 129254488

Filter: acid_anhydride_acyclic


Number of matches in PubChem v2018: 70049
Examples taken from PubChem v2018 matching the filter: S O O O O F F F CID 100976740 O O O NH O O O NH O O O O O O O O O CID 100976741 O O O O O O O O O NH O O O NH O O O O O O O O O O O O CID 100976747 O O O O O O O O O CID 100976936 O O P O O O O- O O P O O O O- Cd+2 CID 100982955

Filter: acid_anhydride_cyclic


Number of matches in PubChem v2018: 36370
Examples taken from PubChem v2018 matching the filter: O O O O NH CID 100976209 N S S Cl O O O CID 100977701 O Si O O O O O O O H H CID 100981464 O O O NH OH OH CID 100982869 OH O O O HO H H H CID 100983022

Filter: acid_anhydrides_2


Number of matches in PubChem v2018: 35131
Examples taken from PubChem v2018 matching the filter: S O O O O F F F CID 100976740 O O O O O O O O NH Cl OH CID 100983631 O O O OH CID 100991661 O O O O O O O O O CID 100992844 S O O O S CID 100994517

Filter: acid_count_3


Number of matches in PubChem v2018: 105329
Examples taken from PubChem v2018 matching the filter: O NH S O O OH NH N O NH2 N N NH O Br S O O HO S O O OH S O O HO Br CID 100975579 N NH NH NH N O OH O NH O OH O OH O NH O OH O HO CID 100976168 O N N O NH2 HO O P O OH O O N N NH O N NH2 O P O OH O O N N O NH2 O P O OH O O N N NH O N NH2 O P O HO O O N N O NH2 O P O HO O O N N NH O N NH2 O P O OH OH CID 100976561 O NH O OH O S O O OH O S O O OH O O O OH OH O S O O OH CID 100977202 O O O P O OH O OH O P O OH HO O P O OH HO O P O OH OH OH O O CID 100978293

Filter: activated_4membered_ring


Number of matches in PubChem v2018: 2761
Examples taken from PubChem v2018 matching the filter: O N S O O S NH2 F CID 81539709 O N S O O O NH CID 81543006 NH N O S O O CID 81546085 O O O CID 87597429 O N S O O N Cl CID 80406603

Filter: activated_S_or_O_in_3_ring


Number of matches in PubChem v2018: 45330
Examples taken from PubChem v2018 matching the filter: Cl O N N Cl CID 100975698 O N NH O CID 100975699 O N NH O CID 100975713 O NH O Cl NH O CID 100975719 N O O O O O O CID 100978771

Filter: acyclic_enolate


Number of matches in PubChem v2018: 699796
Examples taken from PubChem v2018 matching the filter: O N O O O N O O O O S N+ Cl O- CID 100975469 O Si CID 100975521 O N CID 100975634 O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898 Si O O O HO O O CID 100975972

Filter: acyclic_cyanohydrin


Number of matches in PubChem v2018: 62692
Examples taken from PubChem v2018 matching the filter: N O S O O N+ O O- CID 100977703 N O S O O CID 100977714 O N O N CID 100978017 O N CID 100979939 O O O O O N NH O H H CID 100983988

Filter: acyclic_enolate


Number of matches in PubChem v2018: 25244
Examples taken from PubChem v2018 matching the filter: O N O O O N O O O O S N+ Cl O- CID 100975469 O P+ O- O O O- CID 100976000 O Si O- Cl- Cl- Cl- Ti+4 CID 100976128 O O HO N+ N O- CID 100976230 O O O O NH S O O N+ N O- CID 100976245

Filter: acyclic_N-C-N


Number of matches in PubChem v2018: 202850
Examples taken from PubChem v2018 matching the filter: N NH+ HO CID 100975415 NH+ N OH CID 100975417 NH2 N+ O O- N+ O O- N+ O O- CID 100975684 N+ O O- N+ O O- N+ O O- O O N+ O O- N+ O O- F CID 100975688 O O O NH2 NH CID 100975760

Filter: acyclic_nitroamino


Number of matches in PubChem v2018: 54235
Examples taken from PubChem v2018 matching the filter: O O N O O N O CID 100977059 N N O O O CID 100977061 N N O O O CID 100977065 O N O O Cl N O CID 100977083 N N O O O O CID 100977085

Filter: acyl_cyanide


Number of matches in PubChem v2018: 5443
Examples taken from PubChem v2018 matching the filter: O N CID 129267688 O N N O O CID 87577437 O N NH O N CID 87591505 Cl Cl N N N H2N NH2 Cl Cl O N CID 87593535 NH O N CID 87598971

Filter: adjacent_ring_double_bonds


Number of matches in PubChem v2018: 24752
Examples taken from PubChem v2018 matching the filter: N N Cl- Cl- Ce CID 100976787 O N N O Cl- Cl- Ce CID 100976788 2H CID 100977274 2H CID 100977275 C- C+ CID 100978458

Filter: aldehyde_aliphatic


Number of matches in PubChem v2018: 319422
Examples taken from PubChem v2018 matching the filter: Si O CID 100975400 O O O NH2 NH CID 100975760 O O O N+ O O- CID 100976181 O O O CID 100976182 O O CID 100976460

Filter: aldehyde_aromatic


Number of matches in PubChem v2018: 545963
Examples taken from PubChem v2018 matching the filter: N O NH O N N+ N- O CID 100975554 O O O CID 100975881 O O O O O O O O CID 100975916 Si O CID 100975940 N O N O CID 100976112

Filter: aldimin_acyclic


Number of matches in PubChem v2018: 244121
Examples taken from PubChem v2018 matching the filter: S O O N CID 100976147 O O N+ O- OH CID 100976572 N N N O CID 100977200 N NH N N NH N OH CID 100977469 O P+ N+ O- O- O CID 100978530

Filter: alkyl_chain_CH2_count_10


Number of matches in PubChem v2018: 7781
Examples taken from PubChem v2018 matching the filter: O O OH CID 100986142 O NH NH OH CID 100913582 F F F F F F OH HO F F F F F F F F F F F F F F F F F F CID 87584151 O O O O O P O O- O N+ CID 87594743 N O CID 89030417

Filter: allene


Number of matches in PubChem v2018: 56147
Examples taken from PubChem v2018 matching the filter: Si O O O O OH CID 100975399 OH CID 100975402 Si Zn Br- CID 100975936 O O OH P+ O- O O CID 100976489 N N Cl- Cl- Ce CID 100976787

Filter: allyl_terminal


Number of matches in PubChem v2018: 853747
Examples taken from PubChem v2018 matching the filter: O OH OH OH CID 100975442 O O O O O O O NH O O O NH O O O O O O O O O O O O O O O O O O O O CID 100976742 O O O N N N N N N O O O CID 100976862 O N O CID 100977367 O N O CID 100977369

Filter: alpha_chloro_amides_esters_amidines


Number of matches in PubChem v2018: 27863
Examples taken from PubChem v2018 matching the filter: O NH O NH O NH O Cl NH O CID 100978012 O O O O O Br O Cl HO O O CID 100982501 NH O Cl NH O Cl NH O Cl NH O Cl NH O Cl NH O Cl NH O Cl NH O Cl CID 100991530 NH O Cl P+ O- O O CID 100991627 O NH NH2 O NH N NH2 H2N O Cl NH O N H2N NH2 NH2 CID 100999550

Filter: alpha_cyano_acrylamides


Number of matches in PubChem v2018: 265308
Examples taken from PubChem v2018 matching the filter: N O NH N N O NH N CID 100976114 N O NH CID 100985108 N O N O N CID 100996261 N O N N N N O N N O CID 129259736 N O OH OH N NH N N CID 129259739

Filter: alpha_halo_amine


Number of matches in PubChem v2018: 51416
Examples taken from PubChem v2018 matching the filter: O O N+ O O O Cl H H CID 100976534 N+ I CID 100982507 O O N O NH O F CID 100992499 C- N+ N F CID 100992541 NH NH N N S Cl F NH2 CID 129251398

Filter: alpha_halo_EWG


Number of matches in PubChem v2018: 8783
Examples taken from PubChem v2018 matching the filter: N O S O O N+ O O- CID 100977703 S O O O OH F F F CID 100987257 F O F F F Br Br CID 81530627 N N Cl OH CID 87581830 O O N O NH N F F F Cl F F F Cl F CID 87596060

Filter: alpha_halo_heteroatom


Number of matches in PubChem v2018: 116621
Examples taken from PubChem v2018 matching the filter: O O N+ O O O Cl H H CID 100976534 O S F F HO N+ O O- CID 100977678 N O F F F F F F F F F F CID 100977954 S O O O Cl CID 100979583 Si O O Cl O O O CID 100980822

Filter: alpha_peptide


Number of matches in PubChem v2018: 521704
Examples taken from PubChem v2018 matching the filter: O NH NH O OH NH O NH O NH O N O CID 100975351 O NH O NH O NH O NH O NH SH HS CID 100975529 O NH O NH O NH S S O NH O OH F NH O OH NH2 CID 100976096 O N O NH O NH O NH O N O NH O NH O NH O N O NH O NH OH CID 100976569 O NH O N O N O N O O OH NH O O O N O NH O O N O N O N O NH O H2N H H CID 100976806

Filter: amide_acyclic_count_2


Number of matches in PubChem v2018: 3870405
Examples taken from PubChem v2018 matching the filter: O NH NH O OH NH O NH O NH O N O CID 100975351 O NH O HO NH O H2N CID 100975526 O NH S O O OH NH N O NH2 N N NH O Br S O O HO S O O OH S O O HO Br CID 100975579 O OH O O O NH NH O O O O HO CID 100975668 O NH O NH2 O NH O OH NH2 CID 100975879

Filter: amidines


Number of matches in PubChem v2018: 1241677
Examples taken from PubChem v2018 matching the filter: N+ N O- S S S S S S O- CID 100976070 NH N+ CID 100976152 N+ NH CID 100976155 N N NH O O OH CID 100976443 O O N N NH N+ O O- N+ O O- O- N N O O O O O OH H H H H CID 100976468

Filter: amino_acid


Number of matches in PubChem v2018: 300332
Examples taken from PubChem v2018 matching the filter: 2H 2H 2H O O N 2H 2H CID 100975734 O O O NH2 NH CID 100975760 O NH O O O O O OH H2N OH OH HO OH O O OH OH O O OH OH HO H2N OH O OH OH HO CID 100976162 NH2+ O OH S O O OH CID 100977749 NH2+ O O O OH CID 100977750

Filter: amino_acridine


Number of matches in PubChem v2018: 11231
Examples taken from PubChem v2018 matching the filter: S S O O NH S NH N CID 100986594 S O O NH NH N+ CID 12312390 N NH NH S O O O N+ O O- HCl CID 12323851 N NH O NH+ NH2 CID 44383058 O OH NH N CID 44383193

Filter: amino_glycoside_streptamine


Number of matches in PubChem v2018: 6221
Examples taken from PubChem v2018 matching the filter: O NH O O OH O O OH OH NH2 OH NH O NH2 OH H2N OH HO HO CID 100997456 O O OH O O HO NH OH H2N NH2 NH2 H2N CID 100923612 NH O O OH NH HO HO O O H2N NH2 NH2 NH O O OH NH HO HO O O H2N NH2 NH2 HO S OH OH S O O OH OH S O O OH CID 134686831 NH O O OH OH H2N NH2 NH2 O O O OH NH2 OH OH HO NH O O HO OH NH2 NH2 NH2 HO O O O HO H2N OH OH OH NH2 O O OH OH NH2 OH OH O O NH2 HO NH2 H2N NH2 O O O O NH2 OH NH2 OH OH O O NH2 HO NH2 H2N NH2 O O OH OH OH OH OH O O NH2 HO NH2 H2N H2N O O OH OH NH2 HO OH O O NH O H2N OH NH2 NH2 NH2 O O HO HO H2N OH HO O O NH2 OH NH O H2N NH2 NH2 O O HO HO H2N OH HO O O NH2 OH OH H2N NH2 NH2 O O O O NH2 OH NH2 OH OH O O NH2 HO HO NH2 H2N NH2 O O HO HO HO OH HO O O NH2 OH OH H2N NH2 H H H H CID 134687631 N N+ N- O O N N+ N- O O O O O O OH O O N N+ N- O O O N N+ N- CID 11194139

Filter: amino_naphtalimide


Number of matches in PubChem v2018: 4972
Examples taken from PubChem v2018 matching the filter: N NH O N O N O CID 100989731 N O N O O S O O F F F O N O O S O O F F F CID 129270460 N O N O O S F F F CID 129270779 N S N N O N N+ OH O Br- CID 87590951 S N+ O N O N O S O O O- CID 87591216

Filter: aminothiazol


Number of matches in PubChem v2018: 673041
Examples taken from PubChem v2018 matching the filter: N O NH N S CID 100975755 S N NH O N CID 100975756 O NH N S N O O NH N O S O OH H2N H CID 100984823 N N N S O O NH N S CID 100987842 N+ O O- NH N N N S CID 100988398

Filter: aminothiophene_dioxides


Number of matches in PubChem v2018: 96
Examples taken from PubChem v2018 matching the filter: S O O N+ O O- N+ O O- CID 14247321 NH NH S O O CID 1861447 O O S O O O O NH NH CID 13737930 S O O NH Cl O N N NH2 N CID 122647948 S O O OH NH Cl CID 134096002

Filter: aniline_alkyl_ene


Number of matches in PubChem v2018: 31835
Examples taken from PubChem v2018 matching the filter: N O NH Cl Cl H H CID 42228108 O NH S O O NH O OH N+ O O- H H CID 100904692 NH NH O H H CID 100911001 O O O Br O O O O NH I CID 89033662 O NH H H CID 68364299

Filter: aniline_no_alkyl


Number of matches in PubChem v2018: 114190
Examples taken from PubChem v2018 matching the filter: NH2 O S O S O H2N CID 100976310 O NH O NH O O O O NH2 O CID 100980195 NH H2N OH CID 100980443 N+ N H2N CID 100982600 NH NH NH NH NH NH2 CID 100983745

Filter: ansa_aromatics


Number of matches in PubChem v2018: 3475
Examples taken from PubChem v2018 matching the filter: O CID 100979999 O Cl N NH N Cl O Cl O Cl O NH CID 100915687 Ge Ge CID 100923678 PH2 P CID 89029279 O NH S O N N NH N NH N O S NH O O HO CID 123762552

Filter: anthracen


Number of matches in PubChem v2018: 148377
Examples taken from PubChem v2018 matching the filter: O O O O CID 100976273 O O O O O O CID 100976824 Li O CID 100977265 CID 100977423 CID 100977426

Filter: anthracen_diels_alder_adduct


Number of matches in PubChem v2018: 31547
Examples taken from PubChem v2018 matching the filter: Br Br Br Br CID 100979507 O O N+ O O- O O N+ O O- H H CID 100981342 CID 100984566 O O HO O OH O O O OH O HO O O OH H H H H CID 100986632 NH N N O O O O NH H H CID 100994168

Filter: anthranil_one


Number of matches in PubChem v2018: 35164
Examples taken from PubChem v2018 matching the filter: O O N O NH N NH NH O O NH2 S O O HO S O O OH CID 100979431 NH NH O O S O O N N+ N- CID 100982952 N NH2+ NH N+ O- O O HO OH CID 100999333 O N O N NH Cl O CID 133734403 O O NH2 S O O O- NH2 S O O O- Na+ Na+ CID 100915448

Filter: anthrones


Number of matches in PubChem v2018: 1667
Examples taken from PubChem v2018 matching the filter: NH N O O S O O OH CID 100912672 O NH O NH S O O OH S O O HO NH N O N NH NH S O O HO O S O O OH S O O HO O S O O OH CID 89029407 N N O O H2N CID 40506806 NH O O NH N O O NH O O NH N O O CID 57942032 N NH S O O O- S O O O- NH N N N O O O- O O- NH NH N N N NH S O O O- S O O O- NH N O O O S O O O- O O O- O O- O O O S O O O- Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ CID 57958940

Filter: aromatc_alkinyl_hetero_aromatic


Number of matches in PubChem v2018: 4625
Examples taken from PubChem v2018 matching the filter: N O F N N O O F CID 87583953 NH N N O NH OH CID 89034299 N N N NH CID 44382577 O N N N N N NH Br CID 44393130 N N NH2 N N O O P O O- O P O O- O P O O- O- OH HO CID 44399835

Filter: aromatic_ether_count_5


Number of matches in PubChem v2018: 146302
Examples taken from PubChem v2018 matching the filter: O N N N N N N NH NH O O O O O O O CID 100975423 O N O O O N O O O O S N+ Cl O- CID 100975469 O O N O O O O O O O O CID 100976399 O N N N OH N OH O O O N N N OH N OH O N N N OH N OH O O O N N N OH N OH CID 100977226 O O O O O O O O O O O O O O O O O O O O O O O O CID 100977286

Filter: aryl_sulfone_activated


Number of matches in PubChem v2018: 49182
Examples taken from PubChem v2018 matching the filter: S O O N N NH2 N CID 100996924 O S O O N S CID 129254283 N NH Cl S O O N S F H2N CID 129258155 N N O S O O CID 129258745 N S O O N NH N N O CID 129264691

Filter: azanitrone


Number of matches in PubChem v2018: 1137
Examples taken from PubChem v2018 matching the filter: N+ N O O- CID 14370054 N Cl N N+ O- CID 71406038 N N+ F O- CID 71422229 N+ N O- CID 71422235 N N+ O- CID 71422236

Filter: azide


Number of matches in PubChem v2018: 149120
Examples taken from PubChem v2018 matching the filter: N O NH O N N+ N- O CID 100975554 O O O O N N+ N- CID 100976413 O O O OH OH N N+ N- CID 100977116 O O O O O O O N N+ N- CID 100977117 O O O O O O N N+ N- O O O O O H H CID 100977157

Filter: azide_acylated


Number of matches in PubChem v2018: 4103
Examples taken from PubChem v2018 matching the filter: O NH OH O NH O NH HO O N N+ N- NH O S NH O NH O O NH O O CID 100977869 O O N N+ N- CID 100977973 O N N+ N- CID 81538648 N+ O O- Br O N N+ N- CID 81549881 O O OH OH OH HO O N N+ N- CID 100916227

Filter: aziridine_episulfide


Number of matches in PubChem v2018: 6423
Examples taken from PubChem v2018 matching the filter: N S O O O O NH S H CID 100981596 S CID 100984658 S CID 100985328 S I CID 129252813 NH CID 129258776

Filter: aziridine_like_N_in_3_membered_ring


Number of matches in PubChem v2018: 69240
Examples taken from PubChem v2018 matching the filter: O N S O O CID 100976308 N N N N O O CID 100977405 NH OH CID 100977971 N N- S O O N CID 100978612 O O N N+ O O- CID 100978807

Filter: azocyanamides


Number of matches in PubChem v2018: 264
Examples taken from PubChem v2018 matching the filter: N NH O N NH N N O Cl F N N N CID 87581486 N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N H2N CID 124014358 O N HO OH N N N CID 90302652 O NH N+ N N O- CID 10608244 O N N N CID 53672663

Filter: basic_amine_count_4


Number of matches in PubChem v2018: 216889
Examples taken from PubChem v2018 matching the filter: N N P+ N NH NH N S- CID 100975850 N P+ N NH O O NH N S- N O P+ S- O N N P+ N NH O O NH N S- O N N P+ N NH O O NH N S- CID 100975853 O- NH O- H2N NH O- H2N HO- Ti+4 CID 100976535 NH NH NH NH H H H H CID 100977283 O NH N NH O N NH O N NH O O NH O O NH O N NH O O NH O O O NH O OH N NH O N NH O O NH O O NH O N NH O O NH O O CID 100977481

Filter: benzamidine


Number of matches in PubChem v2018: 147577
Examples taken from PubChem v2018 matching the filter: NH O O NH NH2 CID 100979544 O NH O O NH NH H2N O OH CID 100983655 N N O O O NH NH NH2 O N S H CID 100986422 O NH O O O OH O O OH NH H2N CID 100992639 N O O OH O O NH H2N CID 100992789

Filter: benzhydrol


Number of matches in PubChem v2018: 102007
Examples taken from PubChem v2018 matching the filter: NH O NH O OH CID 100976792 Si O N OH O Si CID 100977492 O N N O OH HO CID 100979862 HO OH OH OH HO OH CID 100979977 HO OH CID 100985558

Filter: benzisothiazolone


Number of matches in PubChem v2018: 19110
Examples taken from PubChem v2018 matching the filter: N O S O O CID 100998363 O N S O CID 100998367 N O S O CID 100998368 N O S O O CID 100998376 N O S O O N CID 100998379

Filter: benzofurazanes


Number of matches in PubChem v2018: 14492
Examples taken from PubChem v2018 matching the filter: N S O O N O N N O CID 100999637 S N O S N S O O N S N CID 49245448 NH S O O NH S O O N S N CID 49245805 NH S O O N S N OH H H CID 100903201 N O N S O O N O N O NH N NH2 H2N O N S CID 44376416

Filter: benzoisothiazolone


Number of matches in PubChem v2018: 4782
Examples taken from PubChem v2018 matching the filter: NH N O S CID 81545755 N S O N+ O O- CID 17434182 O N S N O OH CID 114324838 Cl S N- O Na+ CID 23715657 O O O NH O N O S O O O O O O O O O O O O O O CID 123756531

Filter: benzothiazol_amine


Number of matches in PubChem v2018: 34
Examples taken from PubChem v2018 matching the filter: NH2 NH N S CID 89118092

Filter: beta_alpha_mixed_peptide_1


Number of matches in PubChem v2018: 18714
Examples taken from PubChem v2018 matching the filter: O N O NH O NH O NH O N O NH O NH O NH O N O NH O NH OH CID 100976569 O NH O NH O NH O NH O N O NH O NH O NH OH O NH2 O NH2 O NH2 HO O NH2 H CID 100977819 NH O NH O NH O NH O NH O N O NH O O OH O OH O CID 100980923 O NH NH S N NH O NH O O NH O NH O O Si O OH NH O NH O CID 100984382 O NH O NH O NH O NH O NH O NH O NH O NH O N O NH O NH N N+ NH O NH O N O CID 100987483

Filter: beta_alpha_mixed_peptide_2


Number of matches in PubChem v2018: 39019
Examples taken from PubChem v2018 matching the filter: O N O NH O NH O NH O N O NH O NH O NH O N O NH O NH OH CID 100976569 O NH O NH O NH O NH O N O NH O NH O NH OH O NH2 O NH2 O NH2 HO O NH2 H CID 100977819 O NH O NH O O N O NH O NH O NH NH O NH NH O NH O O S O O O CID 100978627 NH O NH O NH O NH O NH O N O NH O O OH O OH O CID 100980923 O NH NH S N NH O NH O O NH O NH O O Si O OH NH O NH O CID 100984382

Filter: beta_carbonyl_quaternary_nitrogen


Number of matches in PubChem v2018: 331327
Examples taken from PubChem v2018 matching the filter: O O O O O O N+ O O- H H CID 100975903 O O O O O O O N+ O O- H H CID 100975904 O O O O O O O N+ O O- H H CID 100975906 O O N+ O O- CID 100975908 O O O O O O O N+ O O- N+ O O- H H CID 100975911

Filter: beta_lactame


Number of matches in PubChem v2018: 278457
Examples taken from PubChem v2018 matching the filter: N O O NH N O S O O O OH H CID 100975434 N+ O- OH N O O H H CID 100976753 N O O NH O O CID 100979218 N O CID 100979449 N O NH O CID 100979822

Filter: beta_lactone


Number of matches in PubChem v2018: 8926
Examples taken from PubChem v2018 matching the filter: O O O O O H CID 100980938 Si O O O CID 100991048 O O CID 100991049 O O Si CID 100992247 O O O O CID 100992246

Filter: beta_peptide


Number of matches in PubChem v2018: 3575
Examples taken from PubChem v2018 matching the filter: O NH O NH O NH O NH NH H2N OH CID 100983361 O N O NH HO O N O N O OH O NH O N NH2 H2N NH O N H2N NH2 H2N NH2 H H CID 100989485 O O N O N O N O N O N O N O O CID 100993634 O O N O N O N O N O O CID 100993640 O O NH O NH O NH O NH O NH O NH O O CID 100993658

Filter: betalactam_EWG


Number of matches in PubChem v2018: 4741
Examples taken from PubChem v2018 matching the filter: O N O O O N+ O O- O Si O S O NH CID 100998352 O O N O O CID 100912154 N O O N N+ N- Cl CID 100923616 O N S N O S O O CID 100923753 S O N+ O F F F CID 87588742

Filter: biotin


Number of matches in PubChem v2018: 16291
Examples taken from PubChem v2018 matching the filter: OH O S O O H2N O S O N O O NH NH O S NH O NH H H H H H CID 100977290 O O NH NH O S NH O NH H H CID 100982107 O NH NH2 O NH O NH O NH NH O S NH O NH O OH NH O NH2 NH O NH O NH2 NH O H2N NH O OH H H CID 100984061 O O OH OH NH O S NH O NH H H H CID 100988475 N N N N N NH O O O O O NH O S NH O NH N S Cl H H CID 129262388

Filter: bis_activated_aryl_ester


Number of matches in PubChem v2018: 2129
Examples taken from PubChem v2018 matching the filter: O O O N+ O O- N+ O O- CID 100981547 O O O O O N+ O O- O O O O O N+ O O- O O O O O N+ O O- CID 100992843 O O O O O O N+ O O- O O O O N+ O O- O O O O O O CID 100916952 O O N O S O O N O HO O CID 87598809 O O O O O O O O N+ O O- N+ O O- N+ O O- N+ O O- CID 71404643

Filter: bis_picolylamines


Number of matches in PubChem v2018: 30401
Examples taken from PubChem v2018 matching the filter: N N N O N CID 100977984 O O N N N OH N N N NH O N N CID 100983748 N N N N N N H2N N CID 129250048 N N N O O N N O NH CID 129250281 N N N N CID 129270506

Filter: bis_sulfonyl_amide


Number of matches in PubChem v2018: 11238
Examples taken from PubChem v2018 matching the filter: S O O N N N Br S O O CID 100996456 O O O S O O NH S O O CID 129264920 O S O O S O O NH S O O F F F CID 129273559 N S O O HO S O O Cl CID 87575006 Li N+ S O O F F F S O O F F F OH CID 87582848

Filter: boronic_acid


Number of matches in PubChem v2018: 169949
Examples taken from PubChem v2018 matching the filter: B O O Si CID 100975648 B O O O O Si CID 100975649 B B OH HO OH OH CID 100976274 B NH NH O B HO OH O OH OH CID 100976401 B OH OH CID 100977733

Filter: branched_polycyclic_aromatic


Number of matches in PubChem v2018: 116661
Examples taken from PubChem v2018 matching the filter: Br O+ Br Br CID 100977171 N N N N N N CID 100977967 O O N N N N N N O O CID 100979078 O O O N N N O O O O N N N O CID 100979214 N N+ N N N N N CID 100980018

Filter: C_S_double_bond_count


Number of matches in PubChem v2018: 2017872
Examples taken from PubChem v2018 matching the filter: O N NH S N N N+ O O- CID 100975414 SH S HS+ CID 100975865 O N S O O CID 100975932 N S H2N O O P O OH O P O OH O O N N N N NH2 O P O OH HO OH OH OH CID 100976318 NH S NH NH O O O OH OH OH HO O O HO O OH CID 100976390

Filter: C3_linker_simple_count_3


Number of matches in PubChem v2018: 14158
Examples taken from PubChem v2018 matching the filter: N N N O OH HO O HO HO O OH OH CID 100975510 N N P+ N NH NH N S- CID 100975851 N P+ N NH O O NH N S- N O P+ S- O N N P+ N NH O O NH N S- O N N P+ N NH O O NH N S- CID 100975853 O NH N NH O N NH O O NH O O O NH O OH N NH O O NH O O CID 100977479 N O N N N O N N N O N CID 100980245

Filter: carbanion


Number of matches in PubChem v2018: 205108
Examples taken from PubChem v2018 matching the filter: HH HH C- C+ Sn CID 100975354 Li Li C- C+ CID 100975895 C+ C- CID 100976225 C+ C- CID 100976227 C+ C- CID 100976229

Filter: carbodiimides


Number of matches in PubChem v2018: 5201
Examples taken from PubChem v2018 matching the filter: O O N N O O CID 100994081 Li Si N N N N O O O O Cl H H CID 100996557 N O NH N N NH N O CID 100913000 O N N CID 100919185 N N N HCl CID 87575427

Filter: carboxyclic_acid_halides


Number of matches in PubChem v2018: 93946
Examples taken from PubChem v2018 matching the filter: O Cl O Cl CID 100976254 N+ N O Cl CID 100976528 NH O O F NH O O S O O CID 100978625 NH NH O Cl CID 100980335 O N NH NH N O O Cl O Cl CID 100980464

Filter: carboxylic_acid_count_3


Number of matches in PubChem v2018: 144631
Examples taken from PubChem v2018 matching the filter: N N N O OH HO O HO HO O OH OH CID 100975510 N NH NH NH N O OH O NH O OH O OH O NH O OH O HO CID 100976168 O O O OH HO HO O OH O OH CID 100978044 O NH O HO HO OH OH O O OH O OH O O OH OH HO NH O OH OH NH O OH O OH HO CID 100978848 O O OH O O OH O O OH O O HO O O OH O O OH CID 100979111

Filter: catechole


Number of matches in PubChem v2018: 334028
Examples taken from PubChem v2018 matching the filter: O NH O O OH CID 100975920 N OH OH OH HO HO CID 100976397 O O O O O O OH OH OH OH OH OH OH CID 100976676 O HO HO OH O O OH CID 100976691 O HO HO O O O O O CID 100978041

Filter: CF2_CF3_acetal


Number of matches in PubChem v2018: 3736
Examples taken from PubChem v2018 matching the filter: O P+ NH F F F F F F NH N O O- O CID 100986329 O O F F F F F F F F F F O F F F F CID 89033380 NH N NH O NH F F F F F F P O O O CID 14361114 O O O F F F F F F CID 71403367 F F Cl F F Cl OH OH CID 71421466

Filter: CF2_CF3_count_3


Number of matches in PubChem v2018: 173747
Examples taken from PubChem v2018 matching the filter: S O O O P O O F F F O F F F O F F F CID 100975426 N NH S O O F F F F F F F F F F F F F F F F F CID 100975647 O O N F F F F F F F N F F F F F F F O O CID 100976105 O P+ O S O O F F F F F F F F F O- O CID 100976313 N N F F Cl F F F F F F F F F F CID 100977014

Filter: CF2_CF3_count_5


Number of matches in PubChem v2018: 62731
Examples taken from PubChem v2018 matching the filter: N NH S O O F F F F F F F F F F F F F F F F F CID 100975647 N N F F Cl F F F F F F F F F F CID 100977014 O O O O F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F CID 100980440 O O F F Cl F F F F F F F F Cl F F F F F F F F Cl F F F F F F CID 100980960 F F F As O F F F F F F F F F F F F F F F CID 100981051

Filter: CH_alkinyl_EWG


Number of matches in PubChem v2018: 8621
Examples taken from PubChem v2018 matching the filter: OH+ CID 100977562 O O O O CID 100998864 O CID 129257193 O I CID 129257216 N N F F F NH O CID 129257508

Filter: CH_alkinyl_HetAr


Number of matches in PubChem v2018: 1218
Examples taken from PubChem v2018 matching the filter: N N O O CID 87577792 N NH NH N N N N O N CID 87586595 S N N S N N I CID 87592828 O N N O CID 123770537 N F F F O OH CID 87940705

Filter: chelator_phenathrolin_like


Number of matches in PubChem v2018: 22710
Examples taken from PubChem v2018 matching the filter: O O O N N N N N N O O O CID 100976862 N N H H CID 100977021 N NH N NH N N N NH N NH CID 100977447 N N N N N N CID 100978408 N NH NH N N NH NH N CID 100978753

Filter: chlorates


Number of matches in PubChem v2018: 22200
Examples taken from PubChem v2018 matching the filter: O P O OH O Cl HO CID 129250812 NH N N O Cl NH2 CID 129261390 NH+ N Cl O- Cl+3 O- O- O- CID 87578208 O O O Cl O Cl CID 87581295 O P O O Cl O Cl HO OH NH2 OH CID 87582309

Filter: conjugated_alkenes


Number of matches in PubChem v2018: 498752
Examples taken from PubChem v2018 matching the filter: HH HH C- C+ Sn CID 100975354 N N N CID 100975862 O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898 O O Si O O CID 100975942 O O OH CID 100975955

Filter: conjugated_dithioether


Number of matches in PubChem v2018: 20999
Examples taken from PubChem v2018 matching the filter: SH S HS+ CID 100975865 O S O S S S S S S S S CID 100976302 O O S S N+ O O- CID 100976511 S N N Cl S CID 100977285 S S N N CID 100979230

Filter: crown_ether


Number of matches in PubChem v2018: 60468
Examples taken from PubChem v2018 matching the filter: N N N O OH HO O HO HO O OH OH CID 100975510 O O O O O O O O H H CID 100975654 O N O O O O O O O O O N O O O O CID 100975672 NH O O O O O O O NH CID 100975678 O NH NH O O O O O O CID 100975683

Filter: cumarine


Number of matches in PubChem v2018: 278669
Examples taken from PubChem v2018 matching the filter: O O O OH O O OH CID 100975986 O O O O O CID 100975999 O O Cl CID 100976864 O O O O I O O O O I CID 100978847 O O O O O O O O O O O O CID 100980470

Filter: Cyanamides


Number of matches in PubChem v2018: 71857
Examples taken from PubChem v2018 matching the filter: N O N CID 100976002 O O N+ N O O CID 100997095 NH N OH H H CID 100997785 NH N N N N N HCl CID 129250767 NH NH N CID 129265099

Filter: cyanate


Number of matches in PubChem v2018: 48865
Examples taken from PubChem v2018 matching the filter: N N N S O O NH N CID 100975635 S O O NH N N+ O O- CID 100975640 N NH S O O F F F F F CID 100975642 N NH S O O Br Br Br Br O OH CID 100975643 S O O NH N CID 100975645

Filter: cyanhydrine


Number of matches in PubChem v2018: 26302
Examples taken from PubChem v2018 matching the filter: N O S O O N+ O O- CID 100977703 N O S O O CID 100977714 O N Br N OH H H H CID 100979877 O O N OH CID 100985363 O O N OH N+ O O- CID 100985366

Filter: cyano_imine


Number of matches in PubChem v2018: 2991
Examples taken from PubChem v2018 matching the filter: O O NH N N N NH NH N N O NH2 CID 100924845 O O NH O N NH I N N O Cl N CID 89028446 NH N O N Cl CID 71406579 O N NH N N CID 71411280 HN N NH N N CID 71412877

Filter: cyanopyridone_2


Number of matches in PubChem v2018: 3764
Examples taken from PubChem v2018 matching the filter: N O N N N N CID 100923993 O N N O N N N CID 100923995 O N NH S O NH O HO N CID 39182624 O O O O N NH S F F N H2N CID 87583067 S N O NH O N CID 17434390

Filter: cyanopyridone_1


Number of matches in PubChem v2018: 2389
Examples taken from PubChem v2018 matching the filter: NH S N CID 81532684 N S NH N H2N N O O OH CID 87584706 S NH N N CID 80404966 NH+ S NH N F CID 4076705 N N S O O S NH N NH2 N N O CID 68995565

Filter: cyclobutene


Number of matches in PubChem v2018: 27578
Examples taken from PubChem v2018 matching the filter: O Cl Cl Cl Cl Cl Cl CID 100976188 OH CID 100977994 N O OH N OH OH OH HO CID 100978321 O+ O O- O CID 100978322 N O N S O O HO OH S O O OH CID 100979024

Filter: cycloheximide_derivatives


Number of matches in PubChem v2018: 64988
Examples taken from PubChem v2018 matching the filter: O O NH O N O OH CID 100978701 O O N O NH S O O H2N HO OH CID 100992181 N O NH NH O NH O CID 100992320 O NH O SH CID 100993286 NH O HO O N N O O N F CID 129250536

Filter: cyclosporine


Number of matches in PubChem v2018: 4341
Examples taken from PubChem v2018 matching the filter: O N O N O NH O N O NH O NH O N O N O N O N O NH HO CID 89040398 3H O NH O N O N O N O N O NH O N O N O NH O N O NH 3H 3H 3H 3H 3H 3H 3H OH 3H 3H 3H 3H CID 11815712 O NH O N O N O NH O N O NH O NH O N O NH O N O N HO OH O O O N O N O NH O N O NH O NH O N O NH O N O N NH H2P OH O OH N O N O NH O N O NH O NH O N O NH O N O N O HO NH PH2 HO CID 90718434

Filter: cysteine hydroxamate


Number of matches in PubChem v2018: 39
Examples taken from PubChem v2018 matching the filter: S O O NH SH O NH OH CID 91182203 O O NH HS O NH OH CID 91194406 O NH OH H2N HS CID 71382489 N+ O O- OH NH SH O NH OH CID 90911342 O S O O N O NH OH S O S O O N SH O NH OH CID 88136296

Filter: dhp_bis_amino_biscyano


Number of matches in PubChem v2018: 162
Examples taken from PubChem v2018 matching the filter: O O S N NH2 NH2 N Br CID 4092186 C- C- C- C- C- S N H2N NH2 N C- Fe CID 91928195

Filter: di_oxalic_acid_imide


Number of matches in PubChem v2018: 160
Examples taken from PubChem v2018 matching the filter: O O N O O Br O O Br CID 87930266 N O O N O O CID 13553119 O O N O O O O CID 19850622 O O O N O O O CID 19861005 N NH O NH N O Cl Cl H2N O O O N N O Cl Cl H2N O O O CID 87729482

Filter: diacetylene


Number of matches in PubChem v2018: 29954
Examples taken from PubChem v2018 matching the filter: N NH O O O O O O O O O O NH N CID 100978247 O S Cl Cl Cl O S Cl Cl Cl CID 100979256 O S Cl Cl Cl O S Cl Cl Cl CID 100979260 O O OH HO CID 100982289 O O O O CID 100982417

Filter: diarylamines


Number of matches in PubChem v2018: 71893
Examples taken from PubChem v2018 matching the filter: N NH NH N N N N S N O N N CID 129254395 O NH NH O F F F NH N N NH N O NH OH F CID 129257198 O O H2N N NH NH N N NH CID 129263534 O N N NH F NH N N N O CID 129266273 N N N NH N N N N S O O CID 129269113

Filter: diazo_acyl


Number of matches in PubChem v2018: 11484
Examples taken from PubChem v2018 matching the filter: O NH OH O NH O NH HO O N N+ N- NH O S NH O NH O O NH O O CID 100977869 O O N N+ N- CID 100977973 O O N N N N N O O CID 100984231 O O O N N O H2N CID 100989029 O O N N NH2 CID 129263053

Filter: diazonium


Number of matches in PubChem v2018: 50601
Examples taken from PubChem v2018 matching the filter: O O HO N+ N O- CID 100976230 O O O HO N+ N OH CID 100976233 O OH N+ N OH CID 100976242 O O O O NH S O O N+ N O- CID 100976245 N+ N O- O CID 100976622

Filter: dicarbonimidic_diamide


Number of matches in PubChem v2018: 69000
Examples taken from PubChem v2018 matching the filter: O N O O O O CID 100976829 NH S NH N H2N CID 100978720 O O NH S NH N+ O HO CID 100979213 O O NH O O O O O O CID 100981936 O O NH N N O O OH OH N O O O O CID 129250407

Filter: dicarbonyl_sulfonamide


Number of matches in PubChem v2018: 1940
Examples taken from PubChem v2018 matching the filter: NH N S O O N O O NH CID 129252573 O O N+ O O S O O HO CID 87593672 N O N O O S O O N O N O O CID 12300405 O O- S O O N O Cl NH O Na+ CID 23712848 S O O N O O O N HO CID 68360975

Filter: dicyano_vinyl


Number of matches in PubChem v2018: 30383
Examples taken from PubChem v2018 matching the filter: N N N N H H H H CID 100977568 NH Cl NH N Cl N CID 100985373 N NH2 Cl NH2 N H2N CID 100985376 N NH O N N N S O O O OH N O CID 100988342 N N S N OH HO OH N CID 100988732

Filter: diene_thione


Number of matches in PubChem v2018: 23
Examples taken from PubChem v2018 matching the filter: NH+ S NH+ S Br- Br- CID 18528160 S O S O CID 5183202 S Se+ CID 23263914 O S N CID 57452439 NH S- O CID 123746872

Filter: diketene_acetals


Number of matches in PubChem v2018: 25922
Examples taken from PubChem v2018 matching the filter: N+ N O- S S S S S S O- CID 100976070 N N S S Sn Sn CID 100978367 S S S S O O O O S S CID 100978639 O O NH NH NH NH O O N O NH OH CID 100979229 N N Se Se Se S S Se CID 100979497

Filter: diketone_1_2


Number of matches in PubChem v2018: 144356
Examples taken from PubChem v2018 matching the filter: O NH S O O OH N NH S O O OH O S O O HO Br CID 100975577 N NH N+ O O- N+ O O- N NH N+ O O- N+ O O- CID 100976098 NH O N NH NH N O O NH O CID 100976480 N N OH O CID 100976697 O O O F F F CID 100976932

Filter: dithiole_2_thione_1


Number of matches in PubChem v2018: 12
Examples taken from PubChem v2018 matching the filter: N N S O S S CID 53673196 S+ S S S OH S O O O- CID 11022627 S O S S CID 19067725 S S S S CID 19067726 S O S S CID 88037645

Filter: dithiole_2_thione_2


Number of matches in PubChem v2018: 5
Examples taken from PubChem v2018 matching the filter: S S S O HO O OH CID 88758780 S S S S O HO CID 91450907

Filter: double_michael_acceptor


Number of matches in PubChem v2018: 5734
Examples taken from PubChem v2018 matching the filter: O O P O O O O O CID 100913597 N O O O O O O N CID 87575026 N O OH Si CID 87575998 O HO F F F O HO F F F F F F F F F F F F F F F O F F F F F O F F F CID 87584717 O O CID 87584798

Filter: dye_1


Number of matches in PubChem v2018: 14212
Examples taken from PubChem v2018 matching the filter: N O O O O OH CID 100975536 N O O N O O O O CID 100984643 N NH O N O N O CID 100989731 S O O N N N O O S O O N O O CID 100990424 Cl O N O N O F F F F F OH Cl Cl F F F F F CID 129274373

Filter: dye_2


Number of matches in PubChem v2018: 13702
Examples taken from PubChem v2018 matching the filter: NH2+ NH O N O N+ O N+ O- O- CID 100976215 N+ N+ O O O- O- H H H CID 100976817 O NH N NH+ N+ O O- O- Cl CID 100977894 NH+ N O NH O CID 100980160 N N+ N+ N S S CID 100981214

Filter: dyes_like_NN_doublebond


Number of matches in PubChem v2018: 141081
Examples taken from PubChem v2018 matching the filter: N N N S O O OH S O O O- S O O OH N NH2 O- O- Br Na+ Na+ Na+ CID 100975574 O NH S O O OH NH N O NH2 N N NH O Br S O O HO S O O OH S O O HO Br CID 100975579 N N N S O O NH N CID 100975635 N HO N N S O O O S O O O- Na+ CID 100977239 N N NH2 NH2 S F F F F F F S N N H2N NH2 CID 100977566

Filter: element_P_count_2


Number of matches in PubChem v2018: 269086
Examples taken from PubChem v2018 matching the filter: O P O P CID 100975392 N P+ N NH O O NH N S- N O P+ S- O N N P+ N NH O O NH N S- O N N P+ N NH O O NH N S- CID 100975853 N PH PH N CID 100976111 O NH O P O OH OH O NH O P O OH HO CID 100976219 N O P O OH OH N O P O OH OH CID 100976222

Filter: element_S_count_2


Number of matches in PubChem v2018: 5293170
Examples taken from PubChem v2018 matching the filter: O NH O NH O NH O NH O NH SH HS CID 100975529 N N N S O O OH S O O O- S O O OH N NH2 O- O- Br Na+ Na+ Na+ CID 100975574 O NH S O O OH N NH S O O OH O S O O HO Br CID 100975577 S O O S O O CID 100975603 S O O S S O O S CID 100975605

Filter: elements_forbidden


Number of matches in PubChem v2018: 867738
Examples taken from PubChem v2018 matching the filter: HH HH C- C+ Sn CID 100975354 O O- O P O OH Na Na+ CID 100975371 N S- Au+ CID 100975462 N N S- Au+ CID 100975463 N N N S O O OH S O O O- S O O OH N NH2 O- O- Br Na+ Na+ Na+ CID 100975574

Filter: elements_penalized


Number of matches in PubChem v2018: 4136683
Examples taken from PubChem v2018 matching the filter: HH HH C- C+ Sn CID 100975354 O O- O P O OH Na Na+ CID 100975371 Si O O O O O CID 100975398 Si O CID 100975400 Si CID 100975409

Filter: en_barbiturates


Number of matches in PubChem v2018: 152190
Examples taken from PubChem v2018 matching the filter: N O NH O O N O CID 100976822 N S S Cl O NH S NH O CID 100977696 N O O S N O N S CID 100979475 N O O N S CID 100982550 N O N O N O CID 100986596

Filter: enamine_aliphatic


Number of matches in PubChem v2018: 120553
Examples taken from PubChem v2018 matching the filter: N O O O O OH CID 100975536 O O NH N O O O CID 100975598 O O N F F F F F F F N F F F F F F F O O CID 100976105 O O N+ O O- CID 100976687 N O N S O O HO OH S O O OH CID 100979024

Filter: ene_five_het


Number of matches in PubChem v2018: 67281
Examples taken from PubChem v2018 matching the filter: O N NH NH N O O NH O NH S CID 100900772 N S O O F F F N N+ O N S S CID 87592567 N S O O N S NH CID 24505509 O N F F N S O N S NH CID 24508735 O N N O N S CID 17426597

Filter: ene_five_membered_one


Number of matches in PubChem v2018: 6279
Examples taken from PubChem v2018 matching the filter: S O O S CID 100992795 O N N N O CID 100995010 N O S O O O N N N N S O O N N N N S O O N CID 87581645 O N F F N S O O CID 24508683 O O S CID 12316690

Filter: ene_one_ene


Number of matches in PubChem v2018: 12933
Examples taken from PubChem v2018 matching the filter: N NH O O N NH O CID 100982495 N O N CID 100984338 N+ O O- O N+ O O- CID 100901235 F O S S CID 100901327 N O H H CID 100904723

Filter: ene_one_halogen


Number of matches in PubChem v2018: 74592
Examples taken from PubChem v2018 matching the filter: N O O O Cl Cl CID 100976103 O Cl Cl Cl Cl Cl Cl CID 100976188 O O O Cl Cl Cl Cl OH CID 100978029 O O O O Cl O CID 100984713 NH O O Cl NH N+ O OH Cl N+ O HO CID 100993379

Filter: enol_ester


Number of matches in PubChem v2018: 20589
Examples taken from PubChem v2018 matching the filter: O O O NH NH CID 100978893 O O O CID 100981478 O O O O HO CID 100986180 O O O OH CID 100986181 O O O O OH CID 100986182

Filter: enolether_enolester


Number of matches in PubChem v2018: 889140
Examples taken from PubChem v2018 matching the filter: O N CID 100975634 NH O CID 100975845 O N+ O O N O CID 100975846 O O O O O O O O CID 100975916 NH O O O CID 100975918

Filter: enyne


Number of matches in PubChem v2018: 41210
Examples taken from PubChem v2018 matching the filter: O O Si OH O CID 100975880 P+ O- O O CID 100976315 O P+ O- O CID 100976316 Cl OH CID 100976441 Li Li CID 100978781

Filter: epoxide_terminal


Number of matches in PubChem v2018: 108780
Examples taken from PubChem v2018 matching the filter: O O CID 100977364 O N O O CID 100977474 O O O CID 100977908 3H 3H 3H O NH O O O O O CID 100978058 O N S H H CID 100978436

Filter: ergot_alkoloid


Number of matches in PubChem v2018: 10392
Examples taken from PubChem v2018 matching the filter: N O NH N NH2 N H H CID 100996019 NH N O NH O OH OH CID 129260616 HO NH O NH N H CID 129260692 N O NH NH N HO CID 129260801 NH O N O NH N H H CID 89048418

Filter: ester_count_3


Number of matches in PubChem v2018: 421556
Examples taken from PubChem v2018 matching the filter: O O P O O O O CID 100975475 O O O N O O HO O O OH O O OH H H H H CID 100975503 O O N O O O O O CID 100975543 O O O O O O CID 100975595 O O O O O O O O O O CID 100975740

Filter: ester_count_5


Number of matches in PubChem v2018: 66039
Examples taken from PubChem v2018 matching the filter: O O O O O O O O O O CID 100975740 O NH O O O S O O O O O O O O O O O O O O O O O O O O CID 100976161 O O O O O O O O N O O O O O O H H CID 100976210 O O O O O O O O O O O O O O O O O O O O O O O O O O O O CID 100976384 O O N O O O O O O O O CID 100976399

Filter: ether_bond_count_5


Number of matches in PubChem v2018: 324556
Examples taken from PubChem v2018 matching the filter: O N O O O O N O CID 100975583 O O N O O N N O O O H H CID 100975585 O N O O O O O O O O O N O O O O CID 100975672 O O O O Si O O O O O O O Si H H H H H H CID 100975693 O O O O O CID 100975873

Filter: farnesyl_geranyl


Number of matches in PubChem v2018: 24113
Examples taken from PubChem v2018 matching the filter: O O N N+ N- CID 100977974 O P O N O N CID 100979312 O O O O CID 100984914 O O O O OH O O HO O O OH OH OH OH OH OH OH OH CID 100991361 N N O NH NH O O O O OH O OH CID 100993406

Filter: fatty_acid


Number of matches in PubChem v2018: 381157
Examples taken from PubChem v2018 matching the filter: O NH NH O OH NH O NH O NH O N O CID 100975353 O O O N OH OH OH OH OH OH H H H H CID 100975482 O O OH CID 100975955 O O O P O HO O N O O O O OH OH OH OH OH O O HO HO HO OH HO O- O O Na+ CID 100976385 O NH O O CID 100977007

Filter: flavonoid


Number of matches in PubChem v2018: 68001
Examples taken from PubChem v2018 matching the filter: O O O O O O O OH HO OH OH HO OH OH CID 100976459 O O O O O O OH OH OH OH OH OH OH CID 100976676 O O OH O O OH OH OH OH OH HO CID 100979934 O O O O O O O CID 100982374 O O O O O O O O O O O O O O O CID 100983073

Filter: fluorene_fmoc


Number of matches in PubChem v2018: 301533
Examples taken from PubChem v2018 matching the filter: O O O O NH CID 100975759 O O O N N NH O O O NH O O O O O O O O CID 100977685 S N N NH N S N O OH N NH OH OH HO OH OH OH N O S O O HO N O OH N N OH O NH O O HO OH HO CID 100977870 O Br Br O CID 100978474 O O CID 100980551

Filter: fluorescein


Number of matches in PubChem v2018: 18656
Examples taken from PubChem v2018 matching the filter: O N O O O O O O F HO OH F CID 100975413 NH S NH NH O O O OH OH OH HO O O HO O OH CID 100976390 O O O O O O O O O CID 100976936 NH2+ N O O OH CID 100979325 N N O+ N N O OH OH O OH HO N N O OH N N O OH N O OH N N N N O O O Cl OH HO Cl OH OH OH OH HO OH OH OH CID 100979588

Filter: fluoro_methyl_ketone


Number of matches in PubChem v2018: 4159
Examples taken from PubChem v2018 matching the filter: O NH O F O OH NH O NH O O CID 100916672 O F F F F H2O CID 87581262 N O O NH O OH O F CID 87590671 O O F F CID 87598956 O F O F CID 89032053

Filter: four_nitriles


Number of matches in PubChem v2018: 20088
Examples taken from PubChem v2018 matching the filter: N- N N N N N N N N- N N N CID 100976407 N N N N N N CID 100976409 N N N N N N N- CID 100977476 N N N N H H H H CID 100977568 N N N N CID 100977571

Filter: furane_pyrrole_thiophene_count_2


Number of matches in PubChem v2018: 458764
Examples taken from PubChem v2018 matching the filter: S O O S S O O S CID 100975605 S S S O HO OH O OH OH CID 100976097 N S O NH N N S O NH N CID 100976115 N S S N N N CID 100976129 N S N N S N O H2N NH2 CID 100976133

Filter: fused_cyclopentene_quinolines


Number of matches in PubChem v2018: 31835
Examples taken from PubChem v2018 matching the filter: N O NH Cl Cl H H CID 42228108 O NH S O O NH O OH N+ O O- H H CID 100904692 NH NH O H H CID 100911001 O O O Br O O O O NH I CID 89033662 O NH H H CID 68364299

Filter: glycoside_01


Number of matches in PubChem v2018: 38502
Examples taken from PubChem v2018 matching the filter: O O O O O O O O O O Si CID 100975995 O O O O O O O O O O O O O O O O O O O O O O O O O O O O CID 100976384 O O O P O HO O N O O O O OH OH OH OH OH O O HO HO HO OH HO O- O O Na+ CID 100976385 O O O O O O O OH HO OH OH HO OH OH CID 100976459 O O O O O O O NH O O O NH O O O O O O O O O O O O O O O O O O O O CID 100976742

Filter: glycoside_02


Number of matches in PubChem v2018: 78760
Examples taken from PubChem v2018 matching the filter: O NH O O O S O O O O O O O O O O O O O O O O O O O O CID 100976161 O NH O O O O O OH H2N OH OH HO OH O O OH OH O O OH OH HO H2N OH O OH OH HO CID 100976162 O O OH O O OH OH OH OH OH HO CID 100976848 O O O O OH O O HO O O OH O O OH O O OH O O HO O O OH O O OH OH HO HO HO OH HO OH HO OH HO OH OH OH OH OH OH HO CID 100976866 O O O O O O N N+ N- O O O O O H H CID 100977157

Filter: glycoside_03


Number of matches in PubChem v2018: 49645
Examples taken from PubChem v2018 matching the filter: O O O O O O O O O Cl O O O O HO O O O O O O O O O O H H H H CID 100976263 O O O O O O O O O O O O O O O O O O O O O O O O O O O O CID 100976384 O O O P O HO O N O O O O OH OH OH OH OH O O HO HO HO OH HO O- O O Na+ CID 100976385 O O O O H2N O O OH OH OH HO NH2 OH OH OH CID 100978756 O O O O O OH OH O O OH OH HO NH O OH O OH OH HO O NH O HS NH O OH OH OH CID 100982182

Filter: glycoside_04


Number of matches in PubChem v2018: 46643
Examples taken from PubChem v2018 matching the filter: O NH O O O O O OH H2N OH OH HO OH O O OH OH O O OH OH HO H2N OH O OH OH HO CID 100976162 O O OH O O O OH O O HO OH OH OH OH O O OH HO OH OH OH OH OH H H H CID 100978487 O O O O O O OH HO O OH OH OH OH OH OH OH OH CID 100978779 N O O N N N N N N N N N N N N N N OH HO OH HO OH OH OH O O OH OH OH O O HO OH OH OH OH NH2 OH OH OH HO OH OH OH OH OH HO NH2 OH OH OH N HN OH N OH OH NH OH OH Cl HO CID 100983426 O NH O O O O O HO HO OH O O OH O OH OH OH H H H H H H CID 100984500

Filter: glycoside_05


Number of matches in PubChem v2018: 4176
Examples taken from PubChem v2018 matching the filter: Si O O O Si O Si O O O O O O Si O Si O Si O O O CID 100989754 O O O O O O O O O O O O O O O CID 100993140 O O O O O O O O O O O O O O O O O O O H H H H H H CID 100993318 O O O OH O O O OH O O OH OH O O OH OH O O HO O O O O OH O O CID 100993350 O O O O O O O O O H H H H H H H H CID 100997895

Filter: glycoside_06


Number of matches in PubChem v2018: 519
Examples taken from PubChem v2018 matching the filter: O O O O O O O O O O O O O O O O O OH H H H H H H CID 100996860 OH OH O O O O HO OH OH OH OH OH H H H CID 100916855 O O OH OH OH O O OH OH HO OH OH O O OH OH OH OH O O HO HO HO O O OH HO OH OH OH O O O O OH OH OH OH OH OH O O OH OH HO O O OH HO OH OH OH O O O O OH OH OH OH OH OH O O HO HO HO O O OH HO OH OH OH O O O O OH OH HO OH OH OH OH H H H H H H H H H H H H CID 44195060 O O O O O O OH OH OH HO OH OH O O O O CID 101728075 O O O O O OH OH O O OH OH HO HO HO OH OH O O O O OH OH O O OH OH OH HO OH HO HO OH OH OH CID 101728903

Filter: glycoside_07


Number of matches in PubChem v2018: 649
Examples taken from PubChem v2018 matching the filter: O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898 O O O HO OH O O OH OH OH HO HO OH HO HO CID 100995678 O O O OH O O OH OH OH OH HO O HO CID 14355722 O O O O O O O O O O O O O O O O O CID 3438740 O O OH O O O O O O O OH OH O OH O O O O O O HO OH O O OH OH OH HO OH OH O O O OH OH OH O O O O OH OH OH O O OH OH HO HO HO OH OH HO OH OH CID 44188621

Filter: glycoside_08


Number of matches in PubChem v2018: 959
Examples taken from PubChem v2018 matching the filter: O O O O O OH O O OH HO O O OH HO HO OH OH OH OH OH OH CID 100920816 O O O O O HO HO O O OH HO OH O O OH OH OH HO OH OH OH O O CID 89040856 O O O O O OH O O S O O O- O OH HO O O OH OH HO O O HO O O OH OH HO OH OH OH OH OH Na+ CID 23700031 O O O O O O OH O O O O O O HO OH O O O O O O OH O CID 88878302 O O O O O O O O O CID 21599579

Filter: glycoside_09


Number of matches in PubChem v2018: 520
Examples taken from PubChem v2018 matching the filter: O HO OH OH O O O OH OH OH H H CID 100980731 O O O O O O O O O O O O O O O O O OH H H H H H H CID 100996862 O O O O O OH OH O O OH OH OH OH HO CID 16007208 O O O HO O O O O OH HO O O HO HO O O HO HO O O OH OH OH O O OH OH HO OH OH OH H CID 11194202 O O O O O O O O O O H H CID 101744313

Filter: glycoside_10


Number of matches in PubChem v2018: 4760
Examples taken from PubChem v2018 matching the filter: O O O O OH OH HO OH OH OH HO OH CID 100987239 O O O O O O O O O O O O O O O O O O O H H CID 100993319 O O O O O O O O O O O O O O O O O O O O O O O O O O O CID 100995471 O O O O O O O HO O O O O O O O O O O CID 87592163 O OH OH OH OH HO O O O HO OH OH OH OH OH OH OH O O O O O OH OH OH OH OH OH OH OH OH OH OH O O O O O O O HO HO OH OH OH OH OH OH OH OH OH OH OH OH O O O O O O O O O HO HO OH OH OH OH OH OH OH OH HO OH OH OH OH OH OH O OH OH OH OH OH O OH HO OH HO OH CID 134687223

Filter: glycoside_11


Number of matches in PubChem v2018: 345
Examples taken from PubChem v2018 matching the filter: O O O O OH OH OH OH OH OH CID 100988834 O O O O O O O O O O CID 100914116 H2N O O NH2 OH HO H2N O O O O OH OH OH HO O O NH2 OH OH NH2 OH OH NH2 CID 11193583 O O O O N O O O HO O O O O O O O OH OH OH OH HO OH OH OH O O H CID 11194198 O O O O O O O O O O O H H H H CID 21589109

Filter: glycoside_12


Number of matches in PubChem v2018: 317
Examples taken from PubChem v2018 matching the filter: O O O OH OH OH OH HO OH OH OH CID 12304961 O O OH O O OH O P O OH OH O P O OH OH OH O P O OH OH CID 44388302 O O O OH O O O OH OH OH NH2 NH2 H2N HO OH NH2 OH CID 68351947 O NH OH O O O OH OH O O O N N OH O O O OH OH OH OH HO OH OH OH CID 89188581 O O O O O O O O O O O O O O O CID 21599586

Filter: glycoside_13


Number of matches in PubChem v2018: 453
Examples taken from PubChem v2018 matching the filter: O O O O O OH O O OH HO O O OH HO HO OH OH OH OH OH OH CID 100920816 O O OH OH O O O OH O OH HO O S O O O- OH OH Na+ H H H CID 23714843 O O O OH O O OH OH OH OH OH OH HO HO OH OH CID 6708646 O O O O HO O OH OH OH OH OH OH H CID 6711518 O O O O O OH OH O O OH OH HO HO HO OH OH O O O O OH OH O O OH OH OH HO OH HO HO OH OH OH CID 101728903

Filter: glycoside_14


Number of matches in PubChem v2018: 76
Examples taken from PubChem v2018 matching the filter: O HO OH OH O O O OH OH OH H H CID 100980731 O O O O O OH OH OH O O OH OH OH HO OH HO O O OH HO HO OH HO HO OH OH CID 25157272 O O O HO OH O O OH O O O O OH O O CID 10259007 O O O O OH OH OH OH OH OH HO CID 70544721 O O O O O O O O O O O O O O O O CID 101861676

Filter: glycoside_15


Number of matches in PubChem v2018: 621
Examples taken from PubChem v2018 matching the filter: O OH OH OH OH HO O O O HO OH OH OH OH OH OH OH O O O O O OH OH OH OH OH OH OH OH OH OH OH O O O O O O O HO HO OH OH OH OH OH OH OH OH OH OH OH OH O O O O O O O O O HO HO OH OH OH OH OH OH OH OH HO OH OH OH OH OH OH O OH OH OH OH OH O OH HO OH HO OH CID 134687223 O O O O O OH OH OH OH OH OH OH OH OH OH OH CID 12304825 O O O O O O O O O H H CID 11180526 O O O O O O O O O O O O O O O CID 21592751 O O O O O OH OH HO HO O O O O HO OH OH OH OH OH OH HO HO OH OH CID 21592754

Filter: glycoside_16


Number of matches in PubChem v2018: 313
Examples taken from PubChem v2018 matching the filter: O O OH O O O OH OH OH CID 11177287 O O O O O O O O O O O O O O O O O O O O O O O O O H H H H CID 11194253 O OH O OH O O OH O O OH OH O O HO HO OH HO O OH Na Na Na CID 24835907 O O O O O O O N O Cl Cl OH O O NH2 O O O O O O O O O O CID 54676004 O O O O O O O O O O O OH O O O HO CID 89059363

Filter: glycoside_17


Number of matches in PubChem v2018: 308
Examples taken from PubChem v2018 matching the filter: O HO OH OH O O O OH OH OH H CID 134688406 O O O O O O O O O O O O O O O O O O O O O O O O O H H H H CID 11194253 O O O O O OH OH O O OH OH O O OH OH HO HO HO O O HO HO O O OH OH OH HO HO OH OH OH OH CID 101728905 O OH O OH O O OH O O OH OH O O HO HO OH HO O OH Na Na Na CID 24835907 O O OH OH O O OH OH O CID 129878057

Filter: glycoside_18


Number of matches in PubChem v2018: 34
Examples taken from PubChem v2018 matching the filter: O O O O O O O O O O O CID 99653277 O O O O O O O O O O O O O O O O O CID 89402640 O O O OH OH OH HO CID 91085185 O O O HO HO OH OH OH OH CID 69859018 O O O CID 12367604

Filter: glycoside_19


Number of matches in PubChem v2018: 312
Examples taken from PubChem v2018 matching the filter: O O O HO HO OH OH O O OH OH OH O O OH OH OH OH OH OH OH CID 89038944 O HO OH OH O O O OH OH OH H CID 134688406 O O O O CID 15440447 O O O OH OH OH O O OH OH OH O O OH OH HO O O OH OH OH O O OH OH HO O O OH OH OH O O OH OH HO O O OH OH OH O O OH OH OH O O HO HO OH OH OH OH OH OH CID 131674907 O O O O O O O O O O O O O O O O O O O O O O HO O O O CID 101257026

Filter: guanidines


Number of matches in PubChem v2018: 2573522
Examples taken from PubChem v2018 matching the filter: O HO O OH N NH2 H2N CID 100975377 N N+ O O- N+ O O- N+ O O- NH2 H2N CID 100975685 N NH N NH CID 100977762 O O NH O OH O O N H2N NH2 CID 100977784 O NH S S O NH O NH O N O NH N NH SH NH O N NH2 H2N NH O NH2 O NH O NH NH2 O NH OH O NH OH O NH OH O NH SH O NH2 H CID 100978099

Filter: gylcerol_long_chain_ether


Number of matches in PubChem v2018: 12228
Examples taken from PubChem v2018 matching the filter: O O O O OH O O HO O O OH O O OH O O OH O O OH OH OH OH OH OH OH OH OH HO OH OH OH HO CID 100976865 O O P O N+ O O- O CID 100980605 O O O OH CID 100993552 O O O O O OH OH OH HO O O O OH OH OH HO CID 100922386 O O F F F F F F F F F F F F F F F F F OH F F F F F F F F F F F F F F F F F CID 100922662

Filter: halo_alkynes


Number of matches in PubChem v2018: 8984
Examples taken from PubChem v2018 matching the filter: I+ O S O O CID 100981514 Br Cl CID 100989073 NH O NH O I OH CID 100992076 Cl Cl Cl GeH3 CID 100992969 HH HH HH Br Br Br Sn CID 100992970

Filter: halo_ether


Number of matches in PubChem v2018: 592666
Examples taken from PubChem v2018 matching the filter: O OH O Br H H H H CID 100975869 O O O O O O Cl O O CID 100975917 N O O O Cl Cl CID 100976103 Si O N O O Cl Cl Cl OH CID 100976184 O Cl Cl Cl Cl Cl Cl CID 100976188

Filter: halo_olefin_bis_EWG


Number of matches in PubChem v2018: 1385
Examples taken from PubChem v2018 matching the filter: O O Cl S O O Cl I OH CID 87579783 O OH O HO Cl I CID 87597550 O Cl NH NH S O NH N O S O O N Cl CID 89040895 O O Cl N CID 12321305 O O N+ O O- Cl O O CID 12321306

Filter: halo_phenoxy_ketone


Number of matches in PubChem v2018: 2348
Examples taken from PubChem v2018 matching the filter: O N+ O O- OH I S F F F F F Br CID 87580361 O O NH O N Cl Cl NH O S F F F F F CID 87582649 N N N H2N N O N O O O F F F F F CID 87590904 O S Cl Cl NH O CID 24521567 O S F F O OH O O F HO F F CID 89040422

Filter: halogen_aliphatic_count_3


Number of matches in PubChem v2018: 99966
Examples taken from PubChem v2018 matching the filter: O O Cl Cl Cl Cl Cl Cl CID 100976187 O Cl Cl Cl Cl Cl Cl CID 100976188 Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl CID 100976667 Br Br Br Br H H H H H H CID 100977186 Si O O I O O Se O O O O O O O O Br OH O O O Br OH O O O O OH I S S O O HO O O O CID 100977496

Filter: halogen_alkyl


Number of matches in PubChem v2018: 2040384
Examples taken from PubChem v2018 matching the filter: O O P O O O O NH Cl CID 100975523 OH OH Br H H CID 100975614 O OH O Br H H H H CID 100975869 O O O O O O Cl O O CID 100975917 N O O O Cl Cl CID 100976103

Filter: halogen_alkyl_count_2


Number of matches in PubChem v2018: 163539
Examples taken from PubChem v2018 matching the filter: O Cl Cl Cl Cl Cl Cl CID 100976188 Br Br Br Br H H H H H H CID 100977186 O O O O O Cl Br CID 100977232 O NH O O O O N N O O N Cl Cl H H CID 100977463 Si O O I O O Se O O O O O O O O Br OH O O O Br OH O O O O OH I S S O O HO O O O CID 100977496

Filter: halogen_aromatic_count_3


Number of matches in PubChem v2018: 2111217
Examples taken from PubChem v2018 matching the filter: P P Cl Cl Cl Cl CID 100975419 S O O O P+ O O- O F F F F F CID 100975432 N NH S O O F F F F F CID 100975642 N NH S O O Br Br Br Br O OH CID 100975643 F F F F F O O F F F F F F F F F F F F F F F CID 100976322

Filter: halogen_heteroatom_bond


Number of matches in PubChem v2018: 315823
Examples taken from PubChem v2018 matching the filter: S O O O P O Cl Cl Cl CID 100975428 S O P+ O O- Cl CID 100975431 N N P+ S- Cl Cl CID 100975852 O F F F F F F F F F F O S O O F F F F F F F F CID 100975882 P N N Br CID 100975952

Filter: halogen_hypervalent


Number of matches in PubChem v2018: 30182
Examples taken from PubChem v2018 matching the filter: I+ NH S O O N CID 100978607 I+ O S O O CID 100981514 Si I+ CID 100990299 O OH I+ O- CID 100990662 F F F I+ Cl CID 100994413

Filter: halogen_vinyl


Number of matches in PubChem v2018: 268584
Examples taken from PubChem v2018 matching the filter: N N N S O O OH S O O O- S O O OH N NH2 O- O- Br Na+ Na+ Na+ CID 100975574 O NH S O O OH N NH S O O OH O S O O HO Br CID 100975577 O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898 O O N F F F F F F F N F F F F F F F O O CID 100976105 Cl OH CID 100976441

Filter: halogenated_hetero_aromates


Number of matches in PubChem v2018: 622380
Examples taken from PubChem v2018 matching the filter: 2H N O OH Cl CID 100978762 O O F N N N N Cl NH2 CID 100979856 O S O O S O O HO NH N N N O- Cl Na+ CID 100981228 N N Cl F F F O F F F O F F F F F F F F F F F CID 100982267 O NH N N H2N Br CID 100988440

Filter: hemiacetal


Number of matches in PubChem v2018: 122827
Examples taken from PubChem v2018 matching the filter: O OH O O O Si CID 100975989 O O O O OH O O O OH OH OH O O H H H H H H CID 100976319 O O O HO O O O O CID 100976412 OH O H H H CID 100976554 O OH O O O CID 100977027

Filter: hetero_imides


Number of matches in PubChem v2018: 10129
Examples taken from PubChem v2018 matching the filter: O N O N Se CID 100999419 O N N O O CID 133746967 O O N O NH Cl Cl H H H H CID 100906012 N N O O N O H H CID 100906595 O N O O OH H H H H CID 100924373

Filter: heteroarylsulfides


Number of matches in PubChem v2018: 713
Examples taken from PubChem v2018 matching the filter: NH O N O N N N S CID 53012164 S N N N N O O NH CID 53142049 F F F N O N N O N N N S Cl CID 98485116 S N N N NH O CID 49816152

Filter: heterocycle_exo_double_bond_1


Number of matches in PubChem v2018: 109994
Examples taken from PubChem v2018 matching the filter: O O O O CID 100999975 NH O N N N S O O S O O N Cl NH O CID 129257227 N O O O O CID 129257887 N NH O Br O NH N Br CID 129262305 NH O N N O NH2 N CID 129262330

Filter: heterocycle_exo_double_bond_2


Number of matches in PubChem v2018: 11960
Examples taken from PubChem v2018 matching the filter: N O HO O N CID 89027382 O S O N N O O- CID 123763335 N S O O OH N N O S O O OH O CID 14366203 O N N O NH Cl Cl CID 20850867 O O O O NH N O CID 4078560

Filter: heterocycle_exo_double_bond_3


Number of matches in PubChem v2018: 6214
Examples taken from PubChem v2018 matching the filter: N F O N NH N N NH N CID 129261045 O N NH O- CID 100916669 NH N N NH2 Cl Cl CID 89029325 N O NH NH N N NH2 O CID 89029326 N N O N+ O O- CID 12311950

Filter: heterocycle_exo_double_bond_4


Number of matches in PubChem v2018: 597
Examples taken from PubChem v2018 matching the filter: N N S NH N O CID 89033625 N N S NH NH S N N CID 99653230 S N N NH2 CID 124007105 NH N S S N NH CID 3435610 N N N S NH2 O NH CID 27371220

Filter: heterocycle_exo_double_bond_5


Number of matches in PubChem v2018: 42441
Examples taken from PubChem v2018 matching the filter: S N O O N OH HO CID 100986669 N O S N CID 100909461 N N O N N+ S O S O O O- CID 87589781 N N O N NH O O N+ CID 87589788 N N O N+ N+ O O- CID 87589852

Filter: HOBT_ester


Number of matches in PubChem v2018: 1638
Examples taken from PubChem v2018 matching the filter: O O N N N NH O O CID 100987501 O NH HO O O N N N H2N CID 100992825 O O N N N N N S Br CID 87578715 O O O O N N N N O NH O O O CID 123757011 N NH O NH F NH O O O O N N N CID 123759534

Filter: hydantoin


Number of matches in PubChem v2018: 481712
Examples taken from PubChem v2018 matching the filter: N O N O CID 100982891 O N O N O F N O O CID 100983126 N O NH O CID 100984811 N O O NH O NH OH NH O O CID 100987200 O N O NH O CID 100988887

Filter: hydrazine


Number of matches in PubChem v2018: 4065977
Examples taken from PubChem v2018 matching the filter: N N NH O O CID 100975505 O NH S O O OH N NH S O O OH O S O O HO Br CID 100975577 N NH N NH N+ O O- CID 100975744 O N N O CID 100975839 O N+ O O N O CID 100975846

Filter: hydrazine_1_2_diacyl_acyclic


Number of matches in PubChem v2018: 277639
Examples taken from PubChem v2018 matching the filter: O O N F F F F F F F N F F F F F F F O O CID 100976105 OH O S O O H2N O S O N O O NH NH O S NH O NH H H H H H CID 100977290 O O NH NH O S NH O O CID 100983581 O N O O N O O O CID 100986750 O N O N O O CID 100986756

Filter: hydrazine_aldehyde


Number of matches in PubChem v2018: 879645
Examples taken from PubChem v2018 matching the filter: N N P+ N NH NH N S- CID 100975850 N N P+ S- Cl Cl CID 100975852 N P+ N NH O O NH N S- N O P+ S- O N N P+ N NH O O NH N S- O N N P+ N NH O O NH N S- CID 100975853 N NH N+ O O- N+ O O- N NH N+ O O- N+ O O- CID 100976098 O O NH Cl Cl Cl N N N N CID 100977199

Filter: hydrazine_ketone


Number of matches in PubChem v2018: 492160
Examples taken from PubChem v2018 matching the filter: O NH S O O OH N NH S O O OH O S O O HO Br CID 100975577 N NH N+ O O- N+ O O- N NH N+ O O- N+ O O- CID 100976098 NH O N NH NH N O O NH O CID 100976480 N NH O NH2 Se H H CID 100978172 S O O NH N CID 100979106

Filter: hydrazothiourea


Number of matches in PubChem v2018: 1190
Examples taken from PubChem v2018 matching the filter: NH S N N N HO CID 100998880 N S N N NH2 CID 89025273 N N S N N N N NH CID 87929349 N+ N S N F F F F F F CID 124017161 NH N N O S N N S NH2 CID 3436029

Filter: hydroquinone


Number of matches in PubChem v2018: 189980
Examples taken from PubChem v2018 matching the filter: N S N N S N O H2N NH2 CID 100976133 S O NH NH CID 100976473 O O OH OH OH H H CID 100976543 O OH O O OH HO CID 100978982 O O N O NH N NH NH O O NH2 S O O HO S O O OH CID 100979431

Filter: hydroxamic_acid


Number of matches in PubChem v2018: 180705
Examples taken from PubChem v2018 matching the filter: O O NH OH O O O O O NH HO CID 100975669 O NH OH O O O O O O NH HO CID 100975671 N O O N OH CID 100975985 O N O O NH O NH HO CID 100976723 O O O N O O OH CID 100976729

Filter: hydroxy_methyl_amine


Number of matches in PubChem v2018: 17522
Examples taken from PubChem v2018 matching the filter: N N O HO HO OH CID 100978304 O NH O OH NH HO CID 100982455 O O O NH HO OH H H CID 100993460 N P+ NH OH N O- CID 100998901 O N OH CID 100999112

Filter: hydroxyl_amine_ester


Number of matches in PubChem v2018: 33762
Examples taken from PubChem v2018 matching the filter: S O O O N O CID 100990386 O O N O O S O O NH O CID 100994984 S O O O NH3+ S N NH+ N N S S O O O H3N+ CID 100997852 Se N O O O O N Se CID 100999421 NH2+ O O+ O+ O NH2+ CID 100999497

Filter: hydroxyl_count_6


Number of matches in PubChem v2018: 285118
Examples taken from PubChem v2018 matching the filter: N OH O O O OH OH OH OH OH H H H H CID 100975477 O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898 O OH OH HO OH OH HO H H CID 100975967 OH NH N O OH OH OH OH OH H H CID 100976127 O NH O O O O O OH H2N OH OH HO OH O O OH OH O O OH OH HO H2N OH O OH OH HO CID 100976162

Filter: hypofluorous_sulfinic_anhydride_FOSO


Number of matches in PubChem v2018: 521
Examples taken from PubChem v2018 matching the filter: Li+ C- F F F F S O O O F CID 87576337 F F S O O O F N N H CID 87581139 Si O F F S O O O F CID 87586294 F F F F F O F F F F F O S O O F O F CID 87596913 OH S O O F F Sb F F F F CID 134687901

Filter: imidazol_2_halogenated


Number of matches in PubChem v2018: 88510
Examples taken from PubChem v2018 matching the filter: O O N N O N N O O O O O Br OH H H H H CID 100976472 N N N N NH N Br CID 100977965 O NH N O NH N N Cl CID 100978790 N N NH2 N N O P+ O- O O Br CID 100979349 N N N Br O OH OH HO Cl Cl CID 100982607

Filter: imidic_anhydrides


Number of matches in PubChem v2018: 119569
Examples taken from PubChem v2018 matching the filter: O NH N N N O O O O O P+ O OH O O N CID 100976280 N N O O CID 100976934 N O O NH O O CID 100978787 N N O O N+ O O- N+ O O- CID 100981061 O O N N N NH NH N N N NH O O S O O OH S O O OH NH CID 100981170

Filter: imine_nonterminal


Number of matches in PubChem v2018: 90787
Examples taken from PubChem v2018 matching the filter: N NH+ HO CID 100975415 NH+ N OH CID 100975417 O N NH O CID 100975699 O NH O Cl Cl NH O CID 100975704 O N NH O CID 100975713

Filter: imine_terminal


Number of matches in PubChem v2018: 34595
Examples taken from PubChem v2018 matching the filter: C+ HN CID 100983883 N O HN CID 100990978 HN NH N+ O NH CID 100991657 O NH+ CID 100993243 N N S N NH+ N N N S NH+ CID 100999780

Filter: imine_halogenated


Number of matches in PubChem v2018: 29861
Examples taken from PubChem v2018 matching the filter: O O N N NH N+ O O- N+ O O- O- N N O O O O O Br O Si H H H H CID 100976471 O O N Cl Cl CID 100977252 N Cl Cl CID 100977254 O O N S S Cl N+ O O- CID 100977690 O N S S Cl O O CID 100977693

Filter: imine_one_five_membered


Number of matches in PubChem v2018: 11524
Examples taken from PubChem v2018 matching the filter: N N O O N+ O O- N+ O O- CID 100981067 O O O OH CID 100986181 OH O O O CID 100986192 N N O P O NH CID 100995331 N N N N O Cl Cl Cl NH CID 100998797

Filter: imine_one_isatin


Number of matches in PubChem v2018: 26404
Examples taken from PubChem v2018 matching the filter: N N NH O O CID 89041557 N N N NH S NH2 O Br CID 44399982 O O NH N Br N O CID 12843404 Cl O NH S NH N S O O N O N O Cl CID 99658207 N N N N NH S NH2 O O O CID 11176825

Filter: imine_one_six_membered


Number of matches in PubChem v2018: 1019
Examples taken from PubChem v2018 matching the filter: N O N NH NH+ HO O- OH O N O CID 89042713 H2N+ O NH O NH O Br- CID 44382052 N O N OH O NH O CID 71402062 O N O N O NH O N O Cl Cl CID 68931666 NH N O NH O N O OH N+ O O- CID 45926764

Filter: indol_3yl_alkyl


Number of matches in PubChem v2018: 220859
Examples taken from PubChem v2018 matching the filter: O NH O NH O NH O O NH2 O NH NH2 O NH N NH O N O NH2 NH OH NH H H H CID 100977794 O O NH NH O O O NH O NH O O Cl Cl Cl OH CID 100978504 NH NH O OH H2N O OH NH2 CID 100980438 O N N O H H H CID 100983076 N O O N O Si O O H H CID 100986199

Filter: iso_flavonoid


Number of matches in PubChem v2018: 26412
Examples taken from PubChem v2018 matching the filter: O O OH O O OH OH OH OH OH HO CID 100979934 O O O HO O O O HO HO OH OH OH CID 100984936 O O O O O O CID 100990728 O O O O O- O O CID 42234318 O O O N O N OH H H CID 42234381

Filter: isocyanate


Number of matches in PubChem v2018: 81961
Examples taken from PubChem v2018 matching the filter: N O CID 100978876 N O H H H CID 100980071 NH O N S O CID 100982296 N O CID 100982938 O N S HO HO OH CID 100988047

Filter: isontrile


Number of matches in PubChem v2018: 89187
Examples taken from PubChem v2018 matching the filter: C- N+ N Cl Cl CID 100977253 O O N+ C- CID 100977814 O O N N+ C- CID 100978145 15N+ C- CID 100983134 C- N+ O O OH CID 100987237

Filter: isotope_C13


Number of matches in PubChem v2018: 15008
Examples taken from PubChem v2018 matching the filter: 2H 13C 2H 13C OH OH NH2 OH CID 100977523 O O O O O O O O O 13C O CID 100980043 O O 13C O O O O O O H H CID 100980045 13C O O OH HO OH H H CID 100980046 S O O O 13C O O HO O S O O H H CID 100980047

Filter: isotope_C14


Number of matches in PubChem v2018: 4767
Examples taken from PubChem v2018 matching the filter: 14C NH2+ H2N NH2 CID 100990584 14C Cl HO CID 100991384 14C N O CID 100991456 NH 14C HO OH OH CID 100991812 NH 14C O OH O O O O CID 100991813

Filter: isotope_I125


Number of matches in PubChem v2018: 1388
Examples taken from PubChem v2018 matching the filter: N NH2 H2N 125I CID 134687216 N O O 125I OH H CID 134687254 NH S O O 125I O HO H H H H CID 134689684 O N O O OH NH O NH O 125I S O SH H2N CID 44387270 K+ 125I- CID 23711814

Filter: isotope_N15


Number of matches in PubChem v2018: 4758
Examples taken from PubChem v2018 matching the filter: O N 15NH O NH O NH O CID 100977042 15N+ C- CID 100983134 N N O OH OH OH NH 13C 15N O CID 100995641 15N 14C O O HO HO O CID 100918896 O OH H215N O OH CID 12308664

Filter: isotope_N16


Number of matches in PubChem v2018: 73
Examples taken from PubChem v2018 matching the filter: 16N+ NH2 CID 91194775 16N+ NH2 CID 91213919 16NH3 CID 44152206 N 16NH N NH2 NH O O NH2 NH O O CID 88229250 16N O NH OH O O 15NH OH NH O NH N O O NH O NH OH CID 90417624

Filter: isotope_O17


Number of matches in PubChem v2018: 228
Examples taken from PubChem v2018 matching the filter: N+ 17O P 17O 17O- 17O H17O 17OH CID 11184607 O 17OH 17OH F H H CID 22824918 Cl 17O HO H2N CID 70485778 17O 17O CID 12415844 O O 17O CID 10609010

Filter: isotope_O18


Number of matches in PubChem v2018: 1174
Examples taken from PubChem v2018 matching the filter: 13C 18OH CID 100985918 18O O OH CID 100995913 13C 18O OH CID 100997358 18O P+ 18O- S CID 100914033 O 18O HO CID 100917899

Filter: isotope_S35


Number of matches in PubChem v2018: 168
Examples taken from PubChem v2018 matching the filter: N N O F O F F N N O 35S O O CID 44188279 35S O O OH H2N CID 129660521 S 35S H2N NH2 CID 129669587 O O O O OH HO 35S N H CID 10601793 S O O NH 35S O O CID 11091097

Filter: isotope_T


Number of matches in PubChem v2018: 12693
Examples taken from PubChem v2018 matching the filter: 3H 3H 3H O NH O O O O O CID 100978058 3H O HO 3H OH CID 100982492 3H O O O OH OH CID 100982651 3H Br NH O NH 3H N OH CID 100983122 3H O NH 3H N+ O O- N+ O O- CID 100983123

Filter: ketals _or_acetals


Number of matches in PubChem v2018: 358231
Examples taken from PubChem v2018 matching the filter: NH O O OH H H CID 100975571 O N O O O OH OH CID 100975580 O O O O NH2 NH2 CID 100975581 O O N O O N N O O O H H CID 100975585 O O O O Si O O O O O O O Si H H H H H H CID 100975693

Filter: ketene


Number of matches in PubChem v2018: 14076
Examples taken from PubChem v2018 matching the filter: HH O O Al CID 100983941 Si O Cl CID 100985224 Si O NH O O CID 100985226 O OH CID 100986758 O O O O O O Co CID 100992880

Filter: ketimines_acyclic


Number of matches in PubChem v2018: 194995
Examples taken from PubChem v2018 matching the filter: N+ N+ O O O- O- H H H CID 100976817 NH N N N N O CID 100977422 N N N N N N N- CID 100977476 N+ CID 100977486 O N N N N O CID 100977937

Filter: keto_aldehyde_or_acetal


Number of matches in PubChem v2018: 9213
Examples taken from PubChem v2018 matching the filter: O O O HO O H CID 100979715 O N O NH NH2 O N O N O NH NH2 O N O NH O NH O NH2 O NH OH O NH NH O O H2N CID 100986207 NH O O CID 129253808 S O O O Cl NH O O Cl HO CID 129256552 N N N NH O OH HO CID 129265190

Filter: keto_keto_beta


Number of matches in PubChem v2018: 18611
Examples taken from PubChem v2018 matching the filter: O O CID 100988186 S O O O O CID 100996352 NH O O O CID 129257984 N O O S N S N S O O NH2 N S N CID 129267267 N O O F O Cl H CID 100905226

Filter: labile_ester_2


Number of matches in PubChem v2018: 1213
Examples taken from PubChem v2018 matching the filter: N N O O N O O O Si N CID 123757961 O O NH N O NH O O N OH CID 123762977 O O N N N Cl CID 123764978 N N NH O N N O O F F F N CID 84973086 As O NH N N O O F F F S N N+ O O- CID 87941016

Filter: lawessons_reagent_and_derivatives


Number of matches in PubChem v2018: 1283
Examples taken from PubChem v2018 matching the filter: NH O S P S S S S PH+ S CID 123755258 O P S SH SH CID 23037244 O O O O S P S S O S O CID 124011219 S P S O O S CID 11186680 S P S S S CID 88889659

Filter: lipid_phospho_1


Number of matches in PubChem v2018: 1054
Examples taken from PubChem v2018 matching the filter: HO O O P O O- O N+ CID 87581224 N+ O P O OH O CID 44378040 N+ N O P O OH O N+ CID 51035306 O P O OH O NH O N O O OH HO HO NH O O O NH2 NH O H2N CID 22819735 O P O O- O NH O CID 23558655

Filter: lipid_phospho_2


Number of matches in PubChem v2018: 25502
Examples taken from PubChem v2018 matching the filter: O O O P O HO O N O O O O OH OH OH OH OH O O HO HO HO OH HO O- O O Na+ CID 100976385 O O O P O HO O NH S O O N O O CID 100987338 O O P O OH O N+ O CID 89038025 O O O P O HO O H2N O O O O O P O OH O NH2 O O O O O P O OH O H2N O O CID 134687142 O O O P O O- O NH O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Na+ CID 126456123

Filter: long_chain_aliphatic


Number of matches in PubChem v2018: 1540427
Examples taken from PubChem v2018 matching the filter: O NH NH O OH NH O NH O NH O N O CID 100975352 O O O N OH OH OH OH OH OH H H H H CID 100975482 S O O O- OH Na+ CID 100975589 S O O O OH CID 100975593 O OH O O O NH NH O O O O HO CID 100975668

Filter: long_chain_flexible_C


Number of matches in PubChem v2018: 3609661
Examples taken from PubChem v2018 matching the filter: O NH NH O OH NH O NH O NH O N O CID 100975352 O HO NH2 NH2 CID 100975364 O O O N OH OH OH OH OH OH H H H H CID 100975482 S O O O- OH Na+ CID 100975589 S O O O OH CID 100975593

Filter: maleimides


Number of matches in PubChem v2018: 31077
Examples taken from PubChem v2018 matching the filter: N O O N O O CID 100976843 O Si N O O O CID 100979151 O O N O O CID 100986525 O O O O O O O N O O O O CID 100986526 S O O N O O NH O NH H H CID 100986527

Filter: mannich_base_phenolic


Number of matches in PubChem v2018: 10717
Examples taken from PubChem v2018 matching the filter: NH HO CID 100993486 N N O OH O O CID 100999850 O O N S N OH CID 42235472 N N N O OH S O O F CID 87596978 N OH O O- O Na+ CID 23702528

Filter: meldrums_acid_deriv


Number of matches in PubChem v2018: 10009
Examples taken from PubChem v2018 matching the filter: O O NH NH O O O CID 100977838 O O O O O O O O NH O CID 100989059 O O N O O HO O O CID 100996362 O O O O O O O O O Cl Cl Cl O O O Cl Cl Cl O O O Cl Cl Cl CID 100997664 O O O O F NH O O CID 129253795

Filter: methyl_group_count_aromatic_ring


Number of matches in PubChem v2018: 46741
Examples taken from PubChem v2018 matching the filter: N CID 100992697 CID 100993355 N N+ N N+ CID 100997886 N N N N+ Br CID 100997888 NH S O O CID 100998373

Filter: methylene_1_3_5_thiadiazines


Number of matches in PubChem v2018: 2758
Examples taken from PubChem v2018 matching the filter: N N O S N Cl CID 16020341 N N O S N CID 20857677 N N S N N O CID 29098702 N N N S N O CID 42486066 N NH NH S N CID 129875203

Filter: methylsulfanyl_thiopyranone


Number of matches in PubChem v2018: 1130
Examples taken from PubChem v2018 matching the filter: O P+ S S O F F F O- O CID 100989813 O S SH CID 12306550 S O Br S CID 54462310 S O S N CID 12415717 S O S N CID 14644975

Filter: michael acceptor_1


Number of matches in PubChem v2018: 591533
Examples taken from PubChem v2018 matching the filter: O O O N OH OH OH OH OH OH H H H H CID 100975481 O O O O O CID 100975999 N O NH N N O NH N CID 100976114 O O O NH S O O CID 100976234 O O O O OH O O O OH OH OH O O H H H H H H CID 100976319

Filter: michael_acceptor_2


Number of matches in PubChem v2018: 670
Examples taken from PubChem v2018 matching the filter: O O S O O Cl Br OH CID 87579684 O O N O N O O O CID 89048528 S O O S S O CID 71405854 S O P O CID 71412161 O P O S O O CID 71412162

Filter: michael_acceptor_CH2_terminal


Number of matches in PubChem v2018: 379428
Examples taken from PubChem v2018 matching the filter: O NH N N S O O OH S O O OH S O O HO NH O NH2 Br CID 100975575 O O NH N O O O CID 100975598 Si O CID 100975940 O OH O O O HO OH O O O O OH OH CID 100976090 O O NH O NH S O O CID 100976123

Filter: michael_acceptor_double_act


Number of matches in PubChem v2018: 761453
Examples taken from PubChem v2018 matching the filter: O O P O N O O CID 100975522 N N N CID 100975862 O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898 O O N F F F F F F F N F F F F F F F O O CID 100976105 N O NH N N O NH N CID 100976114

Filter: michael_acceptor_3


Number of matches in PubChem v2018: 12916
Examples taken from PubChem v2018 matching the filter: O O O CID 100975881 OH+ CID 100977562 O P P O CID 100983163 O CID 100983230 O O O O Cl O O CID 100984711

Filter: N_acyl_123_triazole


Number of matches in PubChem v2018: 5010
Examples taken from PubChem v2018 matching the filter: N N O N N N N CID 100975923 N N N O O CID 89032828 N O N N N O CID 89036272 S O NH N O N N N O F F F NH O NH CID 89036449 O O N N N Br F CID 134691776

Filter: N_acyl_134_triazole


Number of matches in PubChem v2018: 1301
Examples taken from PubChem v2018 matching the filter: NH NH S N O O O O CID 87595193 NH N O N O CID 12301302 NH O S N+ NH N N O O N N N S O NH N CID 123750533 O N S NH N N N O S CID 4094795 O N N N N NH O NH Cl O N N N N O NH O NH Cl CID 99660442

Filter: N_acyl_2_amino_5_mercapto_1_3_4_thiadiazole


Number of matches in PubChem v2018: 74804
Examples taken from PubChem v2018 matching the filter: S N N S NH O S Cl CID 129259389 O N S O NH N N S S CID 133731252 O N N O NH N N S S Cl Cl CID 133736284 N N O O NH N N S S N CID 133736359 S N N S NH O S N N O N O N CID 42248755

Filter: N_amido_tetrazole


Number of matches in PubChem v2018: 2139
Examples taken from PubChem v2018 matching the filter: N O O OH OH O N N N N H H CID 100979152 O N N N N NH S Cl S O O NH2 CID 129252605 N N N N O OH N N N N N N O HO NH NH2 N H2N NH2 CID 87593459 N N N N O O- NH2 K+ CID 23715559 N N N N O F F F F F F F CID 71417455

Filter: N_hydroxyl _pyridine


Number of matches in PubChem v2018: 30703
Examples taken from PubChem v2018 matching the filter: N O N+ O O- H2N N+ OH CID 100978221 O O N+ OH CID 100982509 N OH O OH O NH CID 100982780 S O O N OH O HO NH2 CID 100982781 O O O N N N+ N+ O O- OH O O O O CID 100999472

Filter: N_hydroxyl_imide_ester


Number of matches in PubChem v2018: 24453
Examples taken from PubChem v2018 matching the filter: O N O O O O O O F HO OH F CID 100975413 S O O O O O N O O CID 100976125 O N O O O O O O O OH OH OH HO OH O O HO HO OH OH HO CID 100976389 N S S O O N O O CID 100985282 O O N O O CID 100986525

Filter: N_mercapto_thioamide


Number of matches in PubChem v2018: 9700
Examples taken from PubChem v2018 matching the filter: N S S S N S CID 100978518 S N S S N S CID 100978519 NH O O NH S N S NH NH F Br N O CID 129250035 O O NH S N S N O OH CID 129250255 S N S Cl NH NH NH F NH2 CID 129264354

Filter: N_O_single_bond


Number of matches in PubChem v2018: 441756
Examples taken from PubChem v2018 matching the filter: N O NH O S CID 100975604 N N HO S S S S S S S S OH CID 100976074 O NH O O O O O OH NH O OH OH HO OH O O HO HO O O OH OH OH NH2 OH O OH OH OH CID 100976163 NH2+ NH O N O N+ O N+ O- O- CID 100976215 NH NH O N O N+ N+ O OH O- CID 100976216

Filter: N_oxide_sp2


Number of matches in PubChem v2018: 88624
Examples taken from PubChem v2018 matching the filter: N+ N O- S S S S S S O- CID 100976070 N O N+ O NH NH O- CID 100976213 NH2+ NH O N O N+ O N+ O- O- CID 100976215 Si O N+ O Cl O- CID 100976500 O N+ O- O Si O O O O CID 100976502

Filter: N_oxide_sp2_count_2


Number of matches in PubChem v2018: 2942
Examples taken from PubChem v2018 matching the filter: NH2+ NH O N O N+ O N+ O- O- CID 100976215 O O NH+ O O NH+ N+ O- O- O N+ O OH OH CID 100978991 N N N+ O- O- CID 100992208 N+ N O- N N N+ N O- O- O- CID 100916756 N N+ O- S S N+ N O- CID 87590009

Filter: N_oxides


Number of matches in PubChem v2018: 27465
Examples taken from PubChem v2018 matching the filter: N+ O- OH N O O H H CID 100976753 N NH+ O- N NH+ N+ O O- O- CID 100982232 NH+ O- NH O S S CID 100982472 N+ O- O CID 100983677 O P+ NH+ O- O- O CID 100986260

Filter: NCCN_potential_chelating


Number of matches in PubChem v2018: 268857
Examples taken from PubChem v2018 matching the filter: N NH N N NH N CID 100976109 N NH O NH O P O OH HO N NH O NH O P O OH OH CID 100976221 N N NH O N N N CID 100976825 N N O O CID 100976934 N NH N NH N N N NH N NH CID 100977448

Filter: negativly_charged_sulfur


Number of matches in PubChem v2018: 34129
Examples taken from PubChem v2018 matching the filter: N S- Au+ CID 100975462 N N S- Au+ CID 100975463 N N P+ N NH NH N S- CID 100975850 N N P+ S- Cl Cl CID 100975852 N P+ N NH O O NH N S- N O P+ S- O N N P+ N NH O O NH N S- O N N P+ N NH O O NH N S- CID 100975853

Filter: nitrate


Number of matches in PubChem v2018: 38192
Examples taken from PubChem v2018 matching the filter: S S O O O O O N+ O O- CID 129255425 O N+ O O- PH4+ CID 87580486 O N+ O O- PH4+ CID 87580770 N NH2 NH N+ O O- N+ O O- O- CID 87586372 O OH O HO O OH OH O O- O N+ O O- CID 87587030

Filter: nitrile_N_oxide


Number of matches in PubChem v2018: 597
Examples taken from PubChem v2018 matching the filter: N N N+ O- CID 100980141 OH N+ O- CID 100993180 OH N+ O- CID 100915780 N+ O- N O N NH2 CID 129750955 C- N+ O- Tl+ CID 86201309

Filter: nitro_count_1


Number of matches in PubChem v2018: 3694034
Examples taken from PubChem v2018 matching the filter: O N NH S N N N+ O O- CID 100975414 N+ O O- S O O NH N CID 100975639 NH2 N+ O O- N+ O O- N+ O O- CID 100975684 N+ O O- N+ O O- N+ O O- O O N+ O O- N+ O O- F CID 100975688 O NH O N+ O O- NH O CID 100975720

Filter: nitro_count_2


Number of matches in PubChem v2018: 202452
Examples taken from PubChem v2018 matching the filter: NH2 N+ O O- N+ O O- N+ O O- CID 100975684 N+ O O- N+ O O- N+ O O- O O N+ O O- N+ O O- F CID 100975688 O N+ O O- N+ O O- CID 100975763 O O O O O N+ O O- N+ O O- O H H CID 100975909 N NH N+ O O- N+ O O- N NH N+ O O- N+ O O- CID 100976098

Filter: nitro_count_3


Number of matches in PubChem v2018: 23036
Examples taken from PubChem v2018 matching the filter: NH2 N+ O O- N+ O O- N+ O O- CID 100975684 N+ O O- N+ O O- N+ O O- O O N+ O O- N+ O O- F CID 100975688 N NH N+ O O- N+ O O- N NH N+ O O- N+ O O- CID 100976098 O O O O N+ O O- O O N+ O O- O O N+ O O- O O N+ O O- O O N+ O O- N+ O O- CID 100977901 O N+ O O- O N+ O O- N+ O O- O CID 100977976

Filter: nitroalkane


Number of matches in PubChem v2018: 165123
Examples taken from PubChem v2018 matching the filter: NH2 N+ O O- N+ O O- N+ O O- CID 100975684 N+ O O- N+ O O- N+ O O- O O N+ O O- N+ O O- F CID 100975688 O N+ O O- N+ O O- CID 100975763 O O N+ O O- H CID 100975817 O O O O O O N+ O O- H H CID 100975903

Filter: nitrobenz_azadiazole


Number of matches in PubChem v2018: 6071
Examples taken from PubChem v2018 matching the filter: O O O OH NH O NH O NH N O N N+ O O- NH O CID 100977790 NH N O N N+ O O- HO H H H CID 100995919 O O P O O- O N+ O O NH N O N N+ O O- CID 87584217 O NH O N S N N+ O O- O HO CID 121858999 O O N N N N O N N+ O O- O O NH O O CID 89041772

Filter: nitrone


Number of matches in PubChem v2018: 20510
Examples taken from PubChem v2018 matching the filter: N+ N O- S S S S S S O- CID 100976070 NH2+ NH O N O N+ O N+ O- O- CID 100976215 Si O N+ O Cl O- CID 100976500 O N+ O- O Si O O O O CID 100976502 O O N+ O- OH CID 100976572

Filter: nitroso_simple


Number of matches in PubChem v2018: 111445
Examples taken from PubChem v2018 matching the filter: N O NH O S CID 100975604 N NH NH NH N O OH N O O- O OH O- N O O- O HO O- Na+ Na+ Na+ Na+ CID 100976167 SH S N O CID 100977175 N+ N O CID 100977340 N N N O CID 100978681

Filter: NP_SP_PP_single_bond_acyclic


Number of matches in PubChem v2018: 212462
Examples taken from PubChem v2018 matching the filter: O O O P+ N N O- H CID 100975815 N N P+ N NH NH N S- CID 100975850 N N P+ S- Cl Cl CID 100975852 N P+ N NH O O NH N S- N O P+ S- O N N P+ N NH O O NH N S- O N N P+ N NH O O NH N S- CID 100975853 N PH PH N CID 100976111

Filter: nucleoside_1


Number of matches in PubChem v2018: 104546
Examples taken from PubChem v2018 matching the filter: O N N O NH2 HO O P O OH O O N N NH O N NH2 O P O OH O O N N O NH2 O P O OH O O N N NH O N NH2 O P O HO O O N N O NH2 O P O HO O O N N NH O N NH2 O P O OH OH CID 100976561 N O NH O O O HO N O NH O HO OH CID 100976630 O O N N O NH O NH2 CID 100977204 N N P O OH O O N O NH O OH OH CID 100977813 N O NH O O O O O O O O O O OH N O NH O N O NH O N O NH O N O NH O OH CID 100978050

Filter: nucleoside_2


Number of matches in PubChem v2018: 76142
Examples taken from PubChem v2018 matching the filter: O NH N N O NH O O O O O P+ O HO CID 100976278 O N N O N O NH O O O O O CID 100976282 O N O O P O OH O P O OH O O N N N N NH2 O P O OH HO OH OH OH CID 100976317 O N N O NH2 HO O P O OH O O N N NH O N NH2 O P O OH O O N N O NH2 O P O OH O O N N NH O N NH2 O P O HO O O N N O NH2 O P O HO O O N N NH O N NH2 O P O OH OH CID 100976561 N O NH O O O P O NH O OH N N N N NH2 OH OH CID 100977213

Filter: nucleoside_3


Number of matches in PubChem v2018: 995
Examples taken from PubChem v2018 matching the filter: P O O O O N N O H2N OH H H CID 89028654 O P O O O O N O NH O F F CID 123769655 N O NH O O O P O O O N+ C- O O O H CID 123771235 O NH O P O O O O N O NH O F CID 124002648 O P O O O O N O NH O CID 124024078

Filter: nucleoside_4


Number of matches in PubChem v2018: 1231
Examples taken from PubChem v2018 matching the filter: O O OH NH O O O O P O O OH O N N N N NH2 H H CID 100913626 O O O P O O O O N N N NH2 N NH HO OH CID 44383758 N N O N N O O P O O HO OH NH2 H H CID 44386087 O O NH P O O O O N N N N NH2 Cl CID 124014562 Si O O P O O NH O N N N NH2 N S H CID 90305154

Filter: nucleoside_5


Number of matches in PubChem v2018: 282
Examples taken from PubChem v2018 matching the filter: O OH OH N N O NH2 Cl CID 44380150 O O O N O NH O O O CID 15780480 N O NH O OH OH CID 10611950 O O O N N O NH2 CID 10622088 N O NH O O O P O OH O O O P O OH O O O P O OH O O O P O OH O O F N O NH O O P O OH O O F N O NH O O P O OH O O F N O NH O O P O OH O O O P O OH O O O P O OH O O O P O OH O O O P O OH O O OH N N N NH O NH2 N N O H2N N N N NH O H2N N O NH O N O NH O N O NH O N N N NH O NH2 N N O NH2 HO CID 60143838

Filter: nucleoside_6


Number of matches in PubChem v2018: 234
Examples taken from PubChem v2018 matching the filter: S O O HO N N N NH2 N I CID 87581055 O OH OH N N N N NH2 H2N CID 44380321 NH N N N N O O P O OH HO O P O OH OH CID 44380885 N N N N N NH2 O OH N CID 69401799 N N N N NH2 OH OH HO CID 67822841

Filter: nucleoside_7


Number of matches in PubChem v2018: 1251
Examples taken from PubChem v2018 matching the filter: N O NH O O OH N N O NH2 NH2 NH H2N CID 12300172 O NH O NH N O N O OH O F F NH O NH O H2N CID 123753478 O O O N N O H2N O O CID 68372077 O NH O N O OH OH HO HO N Cl Cl CID 6451773 N O N H2N O OH OH N O OH HO CID 45934358

Filter: nucleoside_8


Number of matches in PubChem v2018: 272
Examples taken from PubChem v2018 matching the filter: NH N N N N O OH OH OH OH CID 54465119 NH N N N N O O OH OH HO OH OH CID 67879820 O O NH O N N N N NH2 OH OH HO CID 53656125 NH N N N N O O O O CID 101631035 O F N N N N NH2 Cl HO HO CID 126489044

Filter: organo_phospho_cyanide


Number of matches in PubChem v2018: 310
Examples taken from PubChem v2018 matching the filter: O P O N N O P O N N CID 87594697 O NH O P O N O- K+ CID 23713739 N P O N O- K+ CID 23713741 O P O N O- K+ CID 23722401 O P O N NH2 CID 129761322

Filter: ortho_di_cyano_aromate


Number of matches in PubChem v2018: 22027
Examples taken from PubChem v2018 matching the filter: O N N N CID 100977373 O P+ N NH N NH N N O N+ O O- O- O CID 100987840 O O O N N O CID 100997472 N NH S NH N NH N N Cl CID 129260329 N N CID 129260358

Filter: ortho_nitrophenyl_carbonyl


Number of matches in PubChem v2018: 7714
Examples taken from PubChem v2018 matching the filter: O O O N+ O O- N+ O O- CID 100981547 O O O N+ O O- CID 100986967 O O O O O N+ O O- O O O O O N+ O O- O O O O O N+ O O- CID 100992843 N O O O O F N+ O O- CID 133727122 O O O N+ O O- CID 133727237

Filter: o-tertbutylphenol


Number of matches in PubChem v2018: 26730
Examples taken from PubChem v2018 matching the filter: O O O OH CID 100982910 HO C+ O CID 100993252 OH N O O OH OH NH O O NH O O NH O O HO OH CID 100996331 OH O O O O O O O O O O O O O CID 129256613 N N O O HO O O OH CID 100912750

Filter: oxalic_acid_diamide_count


Number of matches in PubChem v2018: 248162
Examples taken from PubChem v2018 matching the filter: O O N NH O O NH O Cl CID 100978153 OH NH O O NH OH CID 100986619 NH O O NH N O O O O N N N+ O O- Cl CID 100990120 O NH S O O NH NH O O NH N+ O O- CID 100990123 O Cl NH O O NH OH OH HO CID 129256120

Filter: oxaziridine


Number of matches in PubChem v2018: 3209
Examples taken from PubChem v2018 matching the filter: N O NH N+ O H2N CID 100990328 N O S O O Cl Cl H CID 100999532 O NH S I CID 129271643 N O CID 87581750 N N O N O CID 87586250

Filter: oxepine


Number of matches in PubChem v2018: 216
Examples taken from PubChem v2018 matching the filter: O OH O OH O OH HO CID 71401026 N N O CID 71403387 O HO CID 71403388 O O OH CID 71416035 O O O CID 71416037

Filter: oxim


Number of matches in PubChem v2018: 364426
Examples taken from PubChem v2018 matching the filter: N OH O NH NH O N HO CID 100976509 N N OH O CID 100976697 N N OH O N CID 100976708 N OH NH NH N HO CID 100976952 N OH Se H H CID 100978168

Filter: oxim_ester


Number of matches in PubChem v2018: 50095
Examples taken from PubChem v2018 matching the filter: O O N O O N N N O CID 100982679 O O O N CID 100986968 N O O O CID 100986969 N O O NH N O O CID 100995844 O O N CID 100995870

Filter: oxobenzothiepine


Number of matches in PubChem v2018: 6
Examples taken from PubChem v2018 matching the filter: O S O CID 88775653 O O O S CID 20270260 O S O HO CID 88706790 O S CID 88349150

Filter: ozonide


Number of matches in PubChem v2018: 2640
Examples taken from PubChem v2018 matching the filter: O O O CID 129260265 O O O CID 100914469 O O O O O O CID 87580757 O O O O O O CID 87596010 O N NH N Cl O O CID 89049750

Filter: para_nitro_arylamines


Number of matches in PubChem v2018: 377358
Examples taken from PubChem v2018 matching the filter: O O N N NH N+ O O- N+ O O- O- N N O O O O O OH H H H H CID 100976468 O O NH N+ O O- O OH CID 100977128 O O O OH NH O NH O NH N O N N+ O O- NH O CID 100977790 O NH I N+ O O- I OH HO CID 100977883 O NH N NH+ N+ O O- O- Cl CID 100977894

Filter: para_nitrophenyl_ester


Number of matches in PubChem v2018: 12715
Examples taken from PubChem v2018 matching the filter: O O O N+ O O- N+ O O- CID 100981547 N N N N O O O N+ O O- CID 100987937 O O O O O N+ O O- O O O O O N+ O O- O O O O O N+ O O- CID 100992843 O O NH NH O O O N+ O O- CID 100994096 N+ O O- O O S CID 100995290

Filter: paranitrophenyl_esters


Number of matches in PubChem v2018: 16941
Examples taken from PubChem v2018 matching the filter: O O O N+ O O- N+ O O- CID 100981547 N N N N O O O N+ O O- CID 100987937 O O O O O N+ O O- O O O O O N+ O O- O O O O O N+ O O- CID 100992843 O O NH NH O O O N+ O O- CID 100994096 N+ O O- O O S CID 100995290

Filter: peptide_analogue_01


Number of matches in PubChem v2018: 14996
Examples taken from PubChem v2018 matching the filter: O NH NH O OH NH O NH O NH O N O CID 100975352 O N NH O NH O NH O CID 100977037 P O NH O O OH NH O OH O NH O NH2 CID 100978727 O NH O NH O OH NH2 O NH O NH O OH O HO NH O O O OH OH O P O OH O P O OH O O N O NH O OH OH NH O CID 100986623 O NH O NH N+ O OH NH NH O NH O NH O O HO CID 100987862

Filter: peptide_analogue_02


Number of matches in PubChem v2018: 2169
Examples taken from PubChem v2018 matching the filter: O NH O NH O O N O NH O NH O NH NH O NH NH O NH O O S O O O CID 100978627 O NH2 NH O N O NH NH O O NH NH O NH O NH2 NH O NH O O NH O NH NH O HO NH O N NH O Cl NH O NH O CID 44398119 O NH S O O NH O N O O N O O NH O O O O N F CID 123765617 O O Cl HO O N O NH O NH O NH O NH O OH CID 99672562 NH O N NH O OH N O N O O NH O NH NH O NH O NH O O OH CID 124014375

Filter: peptide_analogue_03


Number of matches in PubChem v2018: 527
Examples taken from PubChem v2018 matching the filter: O NH O NH O NH O OH O NH CID 13518690 O NH O NH O NH NH O NH H2N O NH O NH2 NH O NH O OH OH OH HO NH O OH OH OH OH NH O OH HO OH OH OH HO OH OH CID 101727250 N S O O NH O N O N O N O NH O O HO HO HO OH O NH O O OH OH HO HO O N O NH O O HO HO OH OH O NH O O OH OH OH OH O N O N O NH O O OH OH HO HO O NH O O OH OH OH OH O N O NH O O OH OH HO HO O NH O O HO HO HO OH CID 101748654 NH O NH O NH O NH O NH2 NH O NH O NH NH O NH NH NH2 NH2 NH O NH NH O NH NH NH2 H2N NH O NH NH O NH HN NH2 H2N NH O NH NH NH2 NH2 CID 25165066 O O O N F N N O NH2 O OH O NH O NH O O OH CID 126512375

Filter: peptide_analogue_04


Number of matches in PubChem v2018: 488
Examples taken from PubChem v2018 matching the filter: O NH O NH2 NH O O NH2 NH O O NH O HO O O OH O O HO HO OH OH HO NH O OH NH O NH O NH NH O NH2 NH O NH2 HO CID 11182513 N S O O NH O N O NH O N O NH O N O NH O N O NH O O HO HO OH OH O NH O O OH OH OH OH O NH O O HO HO OH OH O NH O O OH OH OH OH O NH O O OH OH OH HO CID 101748653 NH O N O NH NH O N O NH NH O N O N O NH N O HO O N H2N O N H2N O N NH O NH NH O NH NH2 O N NH2 O N NH2 O NH H2N NH2 NH O N NH2 O NH NH2 NH O NH H2N NH2 CID 124130258 HN NH O O O O NH NH NH2 O O NH NH NH H2N NH O NH O O O O O NH O O NH NH NH H2N O O NH NH NH NH2 O O NH NH HN NH2 NH O NH O O O O NH O NH O O NH O NH O O NH NH H2N O O NH NH NH2 O O NH NH HN NH2 O O NH O NH O O NH NH NH NH2 O O NH NH NH NH2 O O NH NH NH NH2 NH CID 58085291 NH O NH O O N NH O NH O OH CID 10603478

Filter: peptide_analogue_05


Number of matches in PubChem v2018: 6527
Examples taken from PubChem v2018 matching the filter: NH O NH O NH2 H2N NH O NH2 NH2 NH O NH O H2N NH2 NH O H2N NH2 CID 100984595 NH O S NH O HO OH NH O S NH O OH OH NH O S NH O OH OH CID 100988509 O NH O NH O O OH NH O NH O NH O NH O HO NH O OH H2N OH CID 100992211 O O NH N NH O NH NH O N NH NH O O CID 100998029 N S O O NH O OH O NH O NH N H2N NH2 O O O N H2N NH2 NH O NH O O OH NH S O O N Cl Cl CID 87575098

Filter: peptide_analogue_06


Number of matches in PubChem v2018: 375
Examples taken from PubChem v2018 matching the filter: O O NH O NH2 O NH NH O N N N+ N- O O CID 10603700 O N O NH O NH O O NH O NH O O O O OH O O N O NH O CID 90231863 N N N N N NH2 NH2 O NH O OH O NH NH O NH O NH O S NH O NH NH O NH N+ N H H CID 91205022 O O NH NH O NH O N NH2 NH2 O NH NH O NH O NH O N NH2 NH2 NH O O CID 101575726 O NH N H2N NH2 O NH O NH O NH2 NH O NH NH O N H2N NH2 NH O H2N CID 89007928

Filter: peptide_analogue_07


Number of matches in PubChem v2018: 482
Examples taken from PubChem v2018 matching the filter: O NH O NH NH O O N N O F F F NH O NH O N N O F F F NH CID 89031140 O O NH O NH O NH O O O O O O Br O O Br NH O NH O O O O Br O O Br O O Br NH O NH O O O O Br O O Br O O Br NH2 CID 123756647 O NH NH O N O OH NH O O OH CID 67822141 OH O O N NH O N F F F F F F F F F F F F F F F F F O N F F F F F F F F F F F F F F F F F O F F F F F F F F F F F F F F F F F NH O N F F F F F F F F F F F F F F F F F O N F F F F F F F F F F F F F F F F F O F F F F F F F F F F F F F F F F F CID 101727126 O NH F F O NH NH O NH O OH CID 51033478

Filter: peptide_analogue_08


Number of matches in PubChem v2018: 3126
Examples taken from PubChem v2018 matching the filter: O NH O OH NH O O NH O NH O HO CID 100981545 NH N O NH2 NH O S S O NH N NH O NH2 NH O NH2 NH O NH2 CID 100916754 NH O F NH O O NH F O NH O OH OH O CID 100920431 NH2 O NH O NH O O NH NH2 O NH O CID 89026477 O NH O O O O S S O NH2 NH O N O NH S S O O O O OH OH OH NH O O NH2 NH O N+ O N O OH O NH S S O O O O OH OH OH NH O O NH2 OH OH OH CID 89035913

Filter: peptide_analogue_09


Number of matches in PubChem v2018: 386
Examples taken from PubChem v2018 matching the filter: O NH O N N O NH O NH O O NH O N N O NH O NH O NH NH CID 89037989 O NH O N O OH O NH O HO N O N O OH O NH O OH O O N O HO O NH O OH CID 88888156 O NH H2N O N O N O NH NH NH NH2 O OH NH O O O NH O N O NH O O O NH HO O NH NH2 O N O N O NH NH NH NH2 O OH O O N O NH O N O NH O O O NH HO O NH NH2 O N O N O NH NH NH NH2 O OH O NH O O O NH OH O NH H2N O N O N O NH NH NH H2N O OH O NH O F OH OH F O O OH CID 88895224 N S O O NH O N O N O N O NH O O HO HO HO OH O NH O O OH OH HO HO O N O NH O O HO HO OH OH O NH O O OH OH OH OH O N O N O NH O O OH OH HO HO O NH O O OH OH OH OH O N O NH O O OH OH HO HO O NH O O HO HO HO OH CID 101748654 NH HS O O NH O NH O NH2 NH O NH NH H2N NH NH HS O NH NH2 O NH O NH2 O NH O NH O NH NH O NH NH2 O NH OH O NH O NH OH O NH HO O NH HS O CID 124146973

Filter: peptide_analogue_10


Number of matches in PubChem v2018: 239
Examples taken from PubChem v2018 matching the filter: O NH O N N O NH O O N N O NH O NH O NH NH CID 89037985 N S O O NH O N O N O N O NH O O HO HO HO OH O NH O O OH OH HO HO O N O NH O O HO HO OH OH O NH O O OH OH OH OH O N O N O NH O O OH OH HO HO O NH O O OH OH OH OH O N O NH O O OH OH HO HO O NH O O HO HO HO OH CID 101748654 O N OH O O N O O N O O O N O N O O N O O O O N O O O N O N O N O O N O O O O N O O O N O O N O O O O N O O O Br CID 134516528 O N N S O NH OH NH O N O NH O OH OH O N O N O O SH N O N O NH O NH O S N N O O O OH O NH O OH NH O S N N O O O OH O N O O HS O O O CID 130246356 NH O O NH O NH O O NH NH NH NH2 O O NH NH NH NH2 O O NH NH NH NH2 O O NH O NH O O NH NH HN NH2 O O NH NH NH H2N O O NH NH NH NH2 O O NH O NH O O NH NH NH NH2 O O NH NH HN NH2 O O NH NH NH NH2 CID 58085286

Filter: perchlorates


Number of matches in PubChem v2018: 15638
Examples taken from PubChem v2018 matching the filter: NH+ N Cl O- Cl+3 O- O- O- CID 87578208 HO O- Cl+3 O- O- O- Ag+ CID 87585599 N+ N O N N O Cl+3 O- O- O- NH2 CID 87586232 S+ O- Cl+3 O- O- O- CID 87586413 N N+ O- Cl+3 O- O- O- CID 87587716

Filter: perchloro_cp


Number of matches in PubChem v2018: 4377
Examples taken from PubChem v2018 matching the filter: O N O O Cl Cl Cl Cl Cl Cl H H CID 100905538 O Cl Cl Cl Cl Cl Cl H H H H H H CID 100913612 O Si Cl Cl Cl Cl Cl Cl O O CID 134688262 Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl CID 134688267 O S O O Cl Cl Cl Cl Cl Cl H H CID 12309460

Filter: perchloroquinone


Number of matches in PubChem v2018: 48
Examples taken from PubChem v2018 matching the filter: O O S S N N O O Cl Cl O O Cl Cl Cl Cl CID 87932122 O O F Cl Cl F CID 3431482 O O OH OH HO O O Cl Cl Cl Cl H H H H CID 126509940 N S S S S N O O Cl Cl Cl Cl CID 88798392 O O I I I Br CID 129892748

Filter: perhalo_phenyl


Number of matches in PubChem v2018: 70091
Examples taken from PubChem v2018 matching the filter: S O O O P+ O O- O F F F F F CID 100975432 N NH S O O F F F F F CID 100975642 F F F F F O O F F F F F F F F F F F F F F F CID 100976322 S O O F F F F F F F F CID 100976602 Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl CID 100976667

Filter: permanent_positive_charge


Number of matches in PubChem v2018: 1373115
Examples taken from PubChem v2018 matching the filter: O O- O P O OH Na Na+ CID 100975371 N S- Au+ CID 100975462 N N S- Au+ CID 100975463 O N O O O N O O O O S N+ Cl O- CID 100975469 N N N S O O OH S O O O- S O O OH N NH2 O- O- Br Na+ Na+ Na+ CID 100975574

Filter: peroxide_endo


Number of matches in PubChem v2018: 121348
Examples taken from PubChem v2018 matching the filter: O O O O O O OH O O O O O O O O O O O O O O O O O O H H CID 100976267 O O OH CID 100977129 Si O O I O O Se O O O O O O O O Br OH O O O Br OH O O O O OH I S S O O HO O O O CID 100977496 O O O O O H H H CID 100977866 S O O N O O CID 100979357

Filter: peroxide_terminal


Number of matches in PubChem v2018: 52125
Examples taken from PubChem v2018 matching the filter: N O O O O OH CID 100975536 Cl O OH CID 100975871 N S O Cl Cl O OH CID 100976032 N S O O Br O OH CID 100976056 O OH O O CID 100977131

Filter: phenalene


Number of matches in PubChem v2018: 113531
Examples taken from PubChem v2018 matching the filter: O O Br CID 100975954 C+ C- CID 100976229 N NH N N O CID 100976481 O O O O O O CID 100976824 CID 100977423

Filter: phenanthren


Number of matches in PubChem v2018: 177907
Examples taken from PubChem v2018 matching the filter: O O Br CID 100975953 C+ C- CID 100976229 O O O O CID 100976273 N S O CID 100976418 O O O O O O CID 100976824

Filter: phenol_ester


Number of matches in PubChem v2018: 682276
Examples taken from PubChem v2018 matching the filter: O O O Si O Si O O O CID 100976080 F F F F F O O F F F F F F F F F F F F F F F CID 100976322 O O N O O O O O O O O CID 100976399 O O O O O O OH H H CID 100976544 O O O O F F F CID 100976835

Filter: phenolic_OH_count_2


Number of matches in PubChem v2018: 518262
Examples taken from PubChem v2018 matching the filter: O N O O O O O O F HO OH F CID 100975413 O HO OH OH HO CID 100976104 Si HO OH O Si OH OH CID 100976139 O HO O O OH CID 100976200 NH S NH NH O O O OH OH OH HO O O HO O OH CID 100976390

Filter: phenolic_OH_count_3


Number of matches in PubChem v2018: 128503
Examples taken from PubChem v2018 matching the filter: O HO OH OH HO CID 100976104 Si HO OH O Si OH OH CID 100976139 N OH OH OH HO HO CID 100976397 O O O O O O OH OH OH OH OH OH OH CID 100976676 O HO HO OH O O OH CID 100976691

Filter: phenoxazines


Number of matches in PubChem v2018: 7046
Examples taken from PubChem v2018 matching the filter: O NH O N O N O N O O OH NH O O O N O NH O O N O N O N O NH O H2N H H CID 100976806 N O N+ N O NH N O NH O O O P O OH O P+ OH O- O P+ OH HO O- OH CID 100981543 N O NH N N CID 100988070 NH N NH+ S CID 100990010 Cl N O Cl H2N O CID 100990293

Filter: phenyl_DHP


Number of matches in PubChem v2018: 104549
Examples taken from PubChem v2018 matching the filter: NH O N O O O O N O O Cl O O CID 100988431 NH O NH O O NH O CID 100990399 O O O O NH Cl Cl O O O O CID 100999425 NH O O F F F O O HO CID 100999723 O O NH N+ O O- O CID 100910601

Filter: phosphazenes


Number of matches in PubChem v2018: 4505
Examples taken from PubChem v2018 matching the filter: O P+ N- P N P N Cl Cl Cl Cl Cl CID 100980169 N O O P+ N- P N P N Cl Cl Cl Cl Cl CID 100981570 N O O P+ N- P+ N- P N O O O O O O O O O O O O O O O O O O O O CID 100981572 O P N P+ N- P+ N- O O O O O CID 100991372 P N P N P N F F F F F CID 100994539

Filter: phospho_threonine


Number of matches in PubChem v2018: 319
Examples taken from PubChem v2018 matching the filter: O OH H2N O P O HO OH O OH H2N O P O OH OH O OH H2N O OH O OH H2N O P O HO OH CID 134687506 O S O OH H2N O OH H2N O P O HO OH S O O H2N O NH O OH H2N O OH H2N O P O HO OH CID 134687568 O OH NH O O O P O HO O CID 45026868 O OH H2N O P O HO OH H2O CID 45048814 O OH NH O OH NH O N NH NH O N O NH O P O HO OH CID 25150854

Filter: phosphonamide_thiophosphonic_anhydride


Number of matches in PubChem v2018: 39979
Examples taken from PubChem v2018 matching the filter: NH NH P O CID 100976964 O O N O NH O NH P+ O S O- CID 100977207 N P+ NH NH O- CID 100978631 O P+ O- O S O CID 100979056 O P+ O- O S O CID 100979060

Filter: phosphor_not_PO3_PO4


Number of matches in PubChem v2018: 505335
Examples taken from PubChem v2018 matching the filter: O O HO P O OH CID 100975379 O P O P CID 100975392 Si O PH+ N O- CID 100975411 S O O O P O Cl Cl Cl CID 100975428 O O P O O O O CID 100975475

Filter: phosphoramides


Number of matches in PubChem v2018: 3424
Examples taken from PubChem v2018 matching the filter: NH P O NH NH CID 87583968 NH NH NH2 P O NH2 NH2 NH2 P O NH2 NH2 CID 87598002 N OH O O NH P O N N CID 44378484 O N P O NH2 NH S O O O- NH O Br Na+ CID 23702168 O N N S N NH P O NH2 H2N O O- Na+ CID 23707437

Filter: phosphorus_phosphorus_bond


Number of matches in PubChem v2018: 11512
Examples taken from PubChem v2018 matching the filter: PH P PH O Si Si CID 100982574 P P P P CID 100983135 P O P P O CID 100986465 NH+ PH PH CID 100992282 P+ P CID 129252536

Filter: PO3 _groups


Number of matches in PubChem v2018: 654689
Examples taken from PubChem v2018 matching the filter: O O- O P O OH Na Na+ CID 100975371 O O HO P+ OH OH O- CID 100975378 N N N N O P+ HO OH O- CID 100975418 S O O O P O O F F F O F F F O F F F CID 100975426 S O O O P+ O O- Cl CID 100975430

Filter: polycyclic_systems_14_atoms


Number of matches in PubChem v2018: 751806
Examples taken from PubChem v2018 matching the filter: O N N N N N N NH NH O O O O O O O CID 100975423 NH N N NH O O O OH OH OH OH H2N NH CID 100975460 O N CID 100975634 O N N NH O H2N O H CID 100975857 NH N N NH O O OH O O O CID 100975867

Filter: polycyclic_systems_16_atoms


Number of matches in PubChem v2018: 422902
Examples taken from PubChem v2018 matching the filter: O N N N N N N NH NH O O O O O O O CID 100975423 NH N N NH O O O OH OH OH OH H2N NH CID 100975460 O N N NH O H2N O H CID 100975857 NH N N NH O O OH O O O CID 100975867 O O Br CID 100975954

Filter: polycyclic_systems_18_atoms


Number of matches in PubChem v2018: 280829
Examples taken from PubChem v2018 matching the filter: O N N N N N N NH NH O O O O O O O CID 100975423 NH N N NH O O O OH OH OH OH H2N NH CID 100975460 O N N NH O H2N O H CID 100975857 NH N N NH O O OH O O O CID 100975867 O O Br CID 100975954

Filter: polyenes


Number of matches in PubChem v2018: 268471
Examples taken from PubChem v2018 matching the filter: N N N S O O CID 100975863 O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898 O O HO CID 100976826 HS CID 100977522 Be C- C+ CID 100977537

Filter: polyhalo_phenol_1


Number of matches in PubChem v2018: 1259
Examples taken from PubChem v2018 matching the filter: N N N N OH Cl Cl OH Cl Cl CID 100922688 Br OH S O O O OH Br Br Br S O O HO N+ O O- N+ O O- OH CID 87599460 Br OH Br Br Br OH Br Br Br OH Br Br OH P OH HO CID 71404953 I OH O OH I I I CID 71416222 OH HO OH Cl HO Cl OH Cl OH Cl CID 87932308

Filter: polyhalo_phenol_2


Number of matches in PubChem v2018: 220
Examples taken from PubChem v2018 matching the filter: Cl Cl Cl Cl Cl OH OH Cl NH O NH O NH O H2N CID 6450107 Cl Cl Cl Cl Cl O- Cl Cl Cl Cl Cl O- Zn+2 CID 6451478 N N N Cl Cl Cl Cl Cl Cl OH OH Cl CID 6454299 NH N O Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl HO Cl Cl Cl Cl Cl HO CID 126456144 O O O Cl Cl OH Cl Cl OH CID 13454392

Filter: polyhalo_phenol_3


Number of matches in PubChem v2018: 1674
Examples taken from PubChem v2018 matching the filter: NH S NH NH O O O OH OH OH HO O O O Br OH Br Br HO Br CID 100976391 O O I HO I I OH I N S CID 100989753 N O N O Cl OH Cl HO N N NH NH O O Cl OH Cl OH Cl OH Cl OH HO N OH O OH HO CID 100915434 O S O O I HO I I OH I Na CID 87586769 Br OH Br O HO O Br HO Br O O F CID 87593854

Filter: polyhalo_phenol_esters


Number of matches in PubChem v2018: 6179
Examples taken from PubChem v2018 matching the filter: F F F F F O O F F F F F F F F F F F F F F F CID 100976322 O NH N O O F F F F F CID 100995193 O O Cl Cl Cl CID 87586226 O N N O O O F F F F F CID 100914125 O O O Cl Cl Cl Cl Cl NH O NH O H2N O CID 100916057

Filter: polyhalogenated_aromate


Number of matches in PubChem v2018: 689370
Examples taken from PubChem v2018 matching the filter: S O O O P+ O O- O F F F F F CID 100975432 N NH S O O F F F F F CID 100975642 N NH S O O Br Br Br Br O OH CID 100975643 F F F F F O O F F F F F F F F F F F F F F F CID 100976322 S O O F F F F F F F F CID 100976602

Filter: porphyrin


Number of matches in PubChem v2018: 56833
Examples taken from PubChem v2018 matching the filter: NH N N NH O O O OH OH OH OH H2N NH CID 100975460 NH N N NH O O OH O O O CID 100975867 N NH NH NH N O OH N O O- O OH O- N O O- O HO O- Na+ Na+ Na+ Na+ CID 100976167 NH N O NH NH O OH O HO CID 100976270 O NH O NH NH NH HO HO CID 100977192

Filter: prostaglandine


Number of matches in PubChem v2018: 11182
Examples taken from PubChem v2018 matching the filter: 2H 2H 2H O OH O HO OH CID 100984084 O O O OH OH CID 100988001 O Si O O O O O Si CID 100994536 O OH Cl OH OH CID 87588343 OH O OH O OH OH O OH O OH OH O OH O OH OH O OH O OH CID 134687220

Filter: pyranone


Number of matches in PubChem v2018: 9
Examples taken from PubChem v2018 matching the filter: O+ Si O O CID 58683086 O O+ Si O HO CID 58683108 B- O O O+ CID 101764539 O+ O O CID 12510435

Filter: pyrimidinetriones


Number of matches in PubChem v2018: 9065
Examples taken from PubChem v2018 matching the filter: Cl Cl N O N O Cl Cl F F HO F F CID 123758158 N O N O OH CID 123759585 N O N O HO CID 123767000 NH O NH O HO N NH CID 123770481 N O N O NH2 OH CID 123771426

Filter: pyrimido_triazine_dione


Number of matches in PubChem v2018: 5277
Examples taken from PubChem v2018 matching the filter: N N O N O NH O CID 100979838 S NH O N N O NH O N O P O HO O P O HO O O N N N N NH2 OH OH HO OH OH CID 100985929 S N O OH N N O NH O CID 100986198 H2N N N O N N O- K+ CID 23704761 N+ N O NH O NH Cl CID 123753713

Filter: pyrrole_1


Number of matches in PubChem v2018: 148413
Examples taken from PubChem v2018 matching the filter: N O N O N CID 129272255 NH O N N O N CID 133725801 N O NH NH O CID 133725824 S N N O O N S O O NH2 CID 133729041 N O O NH CID 133730689

Filter: pyrrole_2


Number of matches in PubChem v2018: 12124
Examples taken from PubChem v2018 matching the filter: N O O O N N CID 89042192 N N N N CID 89046508 N F O O- Br O Na+ CID 23702173 N N+ O O- CID 71404354 N O Cl O CID 16008654

Filter: pyrrolo_quinoxalin_amine


Number of matches in PubChem v2018: 10468
Examples taken from PubChem v2018 matching the filter: O O N N N NH O Br NH2 CID 4075772 S O O N N N NH O Br CID 99663400 N N N N+ O O- N+ O O- N NH2 Br CID 3433437 N NH N NH O O N CID 5866277 O NH N NH F F F N N N N NH2 CID 123511514

Filter: quinolin_8_ol


Number of matches in PubChem v2018: 18551
Examples taken from PubChem v2018 matching the filter: HO N NH O O NH OH N CID 100979918 N OH N O CID 100993939 O O N O O NH N OH Cl CID 100998977 O N OH Cl HO CID 129255847 N OH O OH O- HO Na+ CID 100919403

Filter: quinone_1_2


Number of matches in PubChem v2018: 80550
Examples taken from PubChem v2018 matching the filter: O NH S O O OH N NH S O O OH O S O O HO Br CID 100975577 NH O N NH NH N O O NH O CID 100976480 O O NH O O O O CID 100977837 NH N O O N NH Br S O O OH S O O HO Cl CID 100977942 N N O+ N N O OH OH O OH OH N N O OH N N O OH N O OH N N N N NH N O S O OH OH NH O S O O OH OH OH HO OH HO OH HO OH CID 100979587

Filter: quinone_1_4


Number of matches in PubChem v2018: 172885
Examples taken from PubChem v2018 matching the filter: NH N N NH O O OH O O O CID 100975867 O NH O O OH CID 100975920 O O OH O O O O CID 100977282 O OH O O O OH OH CID 100978078 NH N N NH N N O N N NH N NH N O CID 100978418

Filter: quinone_methide


Number of matches in PubChem v2018: 79279
Examples taken from PubChem v2018 matching the filter: NH2+ NH O N O N+ O N+ O- O- CID 100976215 N+ N+ O O O- O- H H H CID 100976817 O NH O NH NH NH HO HO CID 100977192 O- O HO O Cl Cl O- O OH Na+ Na+ CID 100980554 NH NH O CID 100980603

Filter: quinone_methide_1_2


Number of matches in PubChem v2018: 7029
Examples taken from PubChem v2018 matching the filter: N N O CID 100982000 N O CID 100982119 O OH CID 100993604 NH+ O CID 100996526 C+ N- CID 100998058

Filter: quinone_methide_1_4


Number of matches in PubChem v2018: 22176
Examples taken from PubChem v2018 matching the filter: O- O HO O Cl Cl O- O OH Na+ Na+ CID 100980554 N N+ N+ N S S CID 100981214 N O CID 100982111 O OH O O O O NH CID 100982694 O N+ S O CID 100987041

Filter: reactive_halo_pyrazine


Number of matches in PubChem v2018: 4539
Examples taken from PubChem v2018 matching the filter: O O N N F F F Br CID 87580004 F F N N Br O OH F CID 87594741 O N NH N F F F NH O N N I CID 89037122 N N Cl F F F CID 89044752 N N Cl O O N O OH NH2 CID 89048709

Filter: reactive_halo_pyrazine_2


Number of matches in PubChem v2018: 1591
Examples taken from PubChem v2018 matching the filter: NH O N N Cl CID 71405444 N N H2N H2N Cl O NH2 CID 87926462 O O NH O N N Cl CID 90318585 N N N Br CID 86200520 O O N N F F F Br CID 131608309

Filter: reactive_halo_pyridazine


Number of matches in PubChem v2018: 4474
Examples taken from PubChem v2018 matching the filter: N O HO O N N Cl Cl CID 62215612 N O HO NH O N N Cl Cl CID 114324067 N O N O O- N N S O O OH NH O N N Cl Cl S O O OH Na+ CID 23721089 O O N N Cl CID 71415908 N O N N Cl Cl O CID 63611730

Filter: reactive_halo_pyridine


Number of matches in PubChem v2018: 24665
Examples taken from PubChem v2018 matching the filter: N Cl O NH N CID 81528813 N NH S O O N Cl CID 81545195 N N Cl O OH Cl CID 87577638 O N F O NH O F F CID 87577639 N O O O Cl CID 87581722

Filter: reactive_halo_pyrimidine


Number of matches in PubChem v2018: 9704
Examples taken from PubChem v2018 matching the filter: N NH N N N Cl H CID 129253643 N O N O N N N N O N N F F CID 129254398 NH S O O N N Cl N CID 81529860 NH N N N+ O O- Cl CID 100912134 NH N N O F CID 87578046

Filter: reactive_halogen_on_carbon_with_heteroatom


Number of matches in PubChem v2018: 20404
Examples taken from PubChem v2018 matching the filter: O O NH O O O NH NH O O O O Cl CID 100991385 Br O Br Br Br CID 100994329 O N O I CID 129259857 N N N N N O I N NH2 F F F CID 129260235 NH N N I Br CID 129262469

Filter: reactive_halogen_on_carbon_with_S


Number of matches in PubChem v2018: 11650
Examples taken from PubChem v2018 matching the filter: O O O F F OH S Cl H CID 129255492 S Cl HS CID 129266605 NH S O O Cl N CID 81534772 N NH S O O Cl CID 81546581 O O O O S O O Cl CID 100915106

Filter: retinoid


Number of matches in PubChem v2018: 8890
Examples taken from PubChem v2018 matching the filter: O O HO CID 100976828 O O O O OH OH HO HO O O CID 100979427 O O O NH O O H2N CID 87583265 O OH O OH O OH O OH CID 134687127 O O CID 23724694

Filter: rhodamine_sat


Number of matches in PubChem v2018: 8127
Examples taken from PubChem v2018 matching the filter: N S O N S S O OH CID 100978987 O N- S S Mn Zn CID 87575023 O N S S H2N CID 87575663 O N S S N O O CID 87576221 O N S S N CID 87576461

Filter: rhodamine


Number of matches in PubChem v2018: 15898
Examples taken from PubChem v2018 matching the filter: O O O O O O O O O CID 100976936 OH O O HO O O OH OH OH HO OH OH CID 100977783 N N O+ N N O OH OH O OH OH N N O OH N N O OH N O OH N N N N NH N O S O OH OH NH O S O O OH OH OH HO OH HO OH HO OH CID 100979587 O NH N NH O CID 100980157 N N O NH O CID 100980161

Filter: rhodanine


Number of matches in PubChem v2018: 199036
Examples taken from PubChem v2018 matching the filter: O OH N O O N O S S CID 42228175 S O N S S O OH NH CID 100920951 N O O O OH S S CID 87576034 O O O O NH S S H2N HCl CID 87587564 O N N O NH S S CID 87588897

Filter: ring_triple_bond


Number of matches in PubChem v2018: 18383
Examples taken from PubChem v2018 matching the filter: Si O N OH CID 100976140 O OH N CID 100976142 N NH O O O O O O O O O O NH N CID 100978247 O O O O O O O O O OH OH OH OH H CID 100980403 O CID 100981074

Filter: S_N_double_bond_acyclic


Number of matches in PubChem v2018: 33719
Examples taken from PubChem v2018 matching the filter: S O O N S OH CID 100978587 F F F Ge F F F F F F N S O CID 100981914 N S O Ge N S O N S O N S O CID 100981915 F F Ge N S O N S O N S O F F F CID 100981916 F F Ge F F F F F F F F F F N S O F F F CID 100981918

Filter: S_S_single_bond


Number of matches in PubChem v2018: 125815
Examples taken from PubChem v2018 matching the filter: S S H CID 100975742 S+ S S CID 100975864 O NH O NH O NH S S O NH O OH F NH O OH NH2 CID 100976096 S S S N- S S S CID 100977337 O O N S S Cl N+ O O- CID 100977690

Filter: saponin_derivatives


Number of matches in PubChem v2018: 32365
Examples taken from PubChem v2018 matching the filter: O O OH O O O OH O O HO OH OH OH OH O O OH HO OH OH OH OH OH H H H CID 100978487 O O O O O O OH HO O O O HO OH H H CID 100985042 O OH O O OH OH HO OH OH H H H CID 100988286 O O O O O O O O O O O O OH O O H H H H H CID 100993304 O O OH OH O O OH OH OH OH OH HO H H CID 100999760

Filter: Si_N_bonds


Number of matches in PubChem v2018: 43032
Examples taken from PubChem v2018 matching the filter: SiH2 NH SiH2 CID 100977143 Si N- Si Si N- Si Br- Sm+3 CID 100978393 CH4 CH4 CH4 Si N N Sn CID 100978869 N SiH2 CID 100979417 N SiH N CID 100979418

Filter: SO3_groups


Number of matches in PubChem v2018: 845198
Examples taken from PubChem v2018 matching the filter: O N N N N F F F O O N S O O OH O- O CID 100975562 N N N S O O OH S O O O- S O O OH N NH2 O- O- Br Na+ Na+ Na+ CID 100975574 O NH S O O OH N NH S O O OH O S O O HO Br CID 100975577 S O O O- OH Na+ CID 100975589 S O O O- OH Na+ CID 100975591

Filter: sp3_carbon_with_4_het_substit


Number of matches in PubChem v2018: 15745
Examples taken from PubChem v2018 matching the filter: NH2 N+ O O- N+ O O- N+ O O- CID 100975684 O O O O SiH3 CID 100978009 SiH SiH3 SiH SiH CID 100983778 F F S S F F F F Cl Cl F F CID 100985724 F F S S F F F F F S F F F F F Cl F F F CID 100985726

Filter: sphingosine


Number of matches in PubChem v2018: 3956
Examples taken from PubChem v2018 matching the filter: OH NH2 OH CID 100977198 HO NH O O O OH OH OH HO CID 100988171 OH NH O O NH NH O N N N NH OH CID 6474406 2H OH NH N+ O O- N+ O O- OH 2H 2H 2H CID 11081198 HO NH O O O HO O O HO O O OH OH O O OH OH OH NH O OH OH OH OH OH OH CID 5176480

Filter: ss_double_bond


Number of matches in PubChem v2018: 7334
Examples taken from PubChem v2018 matching the filter: S+ S S CID 100975864 S S S N- S S S CID 100977337 N+ O S O S CID 100985934 NH2 S O S O- S O S O- Na+ Na+ CID 100994624 O S S- S S CID 129259164

Filter: staurosporine


Number of matches in PubChem v2018: 3801
Examples taken from PubChem v2018 matching the filter: O N N NH O H2N O H CID 100975857 O N N O NH O OH O O O O CID 100976781 OH NH N O OH OH HO OH O N O NH OH OH CID 100996637 N N S O O N N NH O NH O CID 44393013 F F NH O NH O N O NH2 F F HO HO F F CID 44399667

Filter: steroid


Number of matches in PubChem v2018: 9685
Examples taken from PubChem v2018 matching the filter: O OH OH N O OH OH N H H H H CID 129250634 OH O HO CID 129270824 O O H H H H H CID 100923407 O S O O O HO OH O S O H H CID 87588010 O H H H CID 87597041

Filter: steroid_a_arom


Number of matches in PubChem v2018: 38765
Examples taken from PubChem v2018 matching the filter: O S O O OH O- K+ H H H CID 100976081 OH O S O O H2N O S O N O O NH NH O S NH O NH H H H H H CID 100977290 O NH O O O O HO OH OH OH OH H H H CID 100977313 O O O O N H H H CID 100977999 OH N+ N N N N+ OH N+ N N N N+ HO OH H H H H H H CID 100980831

Filter: steroid_non_arom


Number of matches in PubChem v2018: 418715
Examples taken from PubChem v2018 matching the filter: O OH O Br H H H H CID 100975869 O OH OH HO OH OH HO H H CID 100975967 O S O O O- O O O S O O O- Na+ Na+ H H H CID 100975987 O O O H H H H CID 100976068 O HO N O O HO OH H H H CID 100976629

Filter: stilbene_analogs


Number of matches in PubChem v2018: 488938
Examples taken from PubChem v2018 matching the filter: O N N N N N NH NH N NH N N N N N N NH O O O O O O O O O O O CID 100975424 O O Br CID 100975953 N O N O CID 100976112 N S S N N N CID 100976129 N S N N N CID 100976132

Filter: sulfanamine


Number of matches in PubChem v2018: 461
Examples taken from PubChem v2018 matching the filter: N N S O O NH S+ CID 100978609 S O O NH S+ N O CID 100983573 NH S+ S O- Cl+3 O- O- O- CID 71400123 S+ OH N O- O CID 44195288 S+ NH2 F- CID 88787961

Filter: sulfanetriol


Number of matches in PubChem v2018: 3456
Examples taken from PubChem v2018 matching the filter: N NH NH S HO OH OH S O O OH CID 100913497 O O O O NH N HO O O OH O S O- OH HO OH HO OH OH O O Na+ CID 23713902 O S O NH N OH O O CID 123755793 O O F F S OH OH HO CID 123761488 S OH OH O NH O N N CID 123770957

Filter: sulfonic_acid_nitril


Number of matches in PubChem v2018: 247
Examples taken from PubChem v2018 matching the filter: Li+ N S O O O- CID 23707084 N S O O N CID 87626593 N S O O NH S O O N CID 87729102 S Br O N N F F NH S O N CID 130365808 O NH S O O N OH O N CID 90003470

Filter: sulfonyl_anhydride


Number of matches in PubChem v2018: 7816
Examples taken from PubChem v2018 matching the filter: N O O S O O S O O O O N CID 100985999 O O N O O S O O F F F CID 129265165 O O S O O CID 87577716 O O S O O NH2 CID 100913049 S O O O S O O CID 87575366

Filter: sulfonyl_count_2


Number of matches in PubChem v2018: 577912
Examples taken from PubChem v2018 matching the filter: N N N S O O OH S O O O- S O O OH N NH2 O- O- Br Na+ Na+ Na+ CID 100975574 O NH S O O OH N NH S O O OH O S O O HO Br CID 100975577 S O O S O O CID 100975603 S O O S S O O S CID 100975605 S O O S O O CID 100975608

Filter: sulfonyl_cyanides


Number of matches in PubChem v2018: 182
Examples taken from PubChem v2018 matching the filter: Li+ N S O O O- CID 23707084 N S O O N CID 87626593 N S O O NH S O O N CID 87729102 O NH S O O N OH O N CID 90003470 S O O N N+ O O- CID 88184399

Filter: sulfonyl_fluoride


Number of matches in PubChem v2018: 8194
Examples taken from PubChem v2018 matching the filter: N+ S O O F F CID 100982143 S Cl Cl S O O F CID 100912268 O O S S O O F CID 100912269 F F F S O O F Br CID 100912270 O N O N S O O F CID 100919601

Filter: sulfur_nitrogen_singleBond


Number of matches in PubChem v2018: 90913
Examples taken from PubChem v2018 matching the filter: SH S N O CID 100977175 O O N S S Cl N+ O O- CID 100977690 O N S S Cl O O CID 100977693 N O N- S N N+ O- CID 100978228 O S N H CID 100979332

Filter: terminal_vinyl


Number of matches in PubChem v2018: 49806
Examples taken from PubChem v2018 matching the filter: O N CID 100975634 O O O N+ O O- CID 100978135 S+ CID 100978974 O O CID 100981002 O O O O O OH OH OH OH CID 100981366

Filter: tert_butyl_count_3


Number of matches in PubChem v2018: 102867
Examples taken from PubChem v2018 matching the filter: S O O O P O Cl Cl Cl CID 100975428 O NH NH O CID 100976258 NH O S O O NH CID 100976262 O O O O NH O O CID 100976626 O O O O O O O O O NH O O O NH O O O O O O O O O O O O CID 100976747

Filter: tertiary_halide_sulfate


Number of matches in PubChem v2018: 103681
Examples taken from PubChem v2018 matching the filter: O O P O O O O NH Cl CID 100975523 O OH O Br H H H H CID 100975869 O F F F F F F F F F F O S O O F F F F F F F F CID 100975882 O Cl Cl Cl Cl Cl Cl CID 100976188 N O S O O CID 100977714

Filter: tetraazinane


Number of matches in PubChem v2018: 997
Examples taken from PubChem v2018 matching the filter: NH N N NH O N NH NH CID 129251690 NH N N N Br CID 71409804 O N N NH N Br Cl CID 4084853 NH N N N CID 4097824 NH N N NH O S CID 12830619

Filter: thiadiazolones


Number of matches in PubChem v2018: 1175
Examples taken from PubChem v2018 matching the filter: NH O N O N S As Cl CID 87577578 N S N N O N S CID 12323439 N O N S NH N F CID 123762291 N O N S O Cl CID 123767137 O NH N O N S F F F CID 124018666

Filter: thiatetrazolidine


Number of matches in PubChem v2018: 2494
Examples taken from PubChem v2018 matching the filter: N S O O O O- O O O- O O S N NH N N Na+ Na+ H CID 100983773 N NH N N S S HS CID 129262286 NH O N N S N NH N N Cl CID 89041846 O N S O O O- NH O N O S N NH2 S N NH N N Na+ CID 23705518 O O S O O N NH N N O OH CID 87925866

Filter: thiazolidine_2_4_dione_5_met


Number of matches in PubChem v2018: 688054
Examples taken from PubChem v2018 matching the filter: N N O O NH O S CID 100980073 N S Cl S O Cl CID 100990786 O NH O S NH2 CID 129265030 N O OH OH N+ O O- S O CID 129270736 O NH N O F S O CID 133727247

Filter: thiazolidinediones


Number of matches in PubChem v2018: 8823
Examples taken from PubChem v2018 matching the filter: N O O NH O S N OH CID 100995317 NH O NH O S CID 100996718 O O O NH O S OH CID 87577873 N NH2 O O NH O S CID 87578577 N O O NH O S N O O O NH O O O NH O S NH2 NH2 NH O NH NH F F F CID 89032632

Filter: thiazolidines


Number of matches in PubChem v2018: 172776
Examples taken from PubChem v2018 matching the filter: N S O N S S O OH CID 100978987 S NH O O OH O OH CID 100979524 S NH O O HO OH OH CID 100979525 O O HO OH OH NH S CID 100979526 O NH S N S O O CID 100980460

Filter: thio_ketone


Number of matches in PubChem v2018: 32572
Examples taken from PubChem v2018 matching the filter: S Si CID 100977889 S S Cl Cl CID 100978249 S NH CID 100978829 O NH S F F F Cl CID 100978834 S CID 100984583

Filter: thiobenzothiazole_2


Number of matches in PubChem v2018: 22
Examples taken from PubChem v2018 matching the filter: S NH S S H2N CID 54563059 O NH S S S S CID 54161409 O O NH H2N N+ S S F F CID 90891051 N O S S S NH CID 57177337 NH2+ HS+ S NH2+ HS+ S S-2 S-2 Fe+3 Fe+3 CID 3327615

Filter: thiobenzothiazole_1


Number of matches in PubChem v2018: 20
Examples taken from PubChem v2018 matching the filter: S N S N O CID 87347616 NH S O O N S S CID 54088828 O N S S N S S S CID 19029859 S N S O NH NH2 CID 129845274 S O O N S NH N O S O O O- S O O O- Na+ Na+ CID 11970754

Filter: thiocarbamate


Number of matches in PubChem v2018: 57652
Examples taken from PubChem v2018 matching the filter: O S S N O O O CID 100982528 N O S O HO CID 100984809 N O S O HO CID 100984810 N S S O O N O O CID 100985282 N NH S S NH O CID 100986439

Filter: thiocarbamate_5_ring


Number of matches in PubChem v2018: 77992
Examples taken from PubChem v2018 matching the filter: S O O N N S O CID 100992571 NH NH NH HO Cl S O O NH N NH S F CID 129264605 NH N S N CID 81533206 N NH N S CID 81546300 S N NH O N O F F F CID 133731617

Filter: thiocarbonate


Number of matches in PubChem v2018: 10583
Examples taken from PubChem v2018 matching the filter: N O O S CID 100982011 F F S O S F F F F F F F F CID 100985732 O O O Si O S O HS CID 100987340 O O O O S O O CID 100996240 N O O S CID 129253915

Filter: thiocyanate


Number of matches in PubChem v2018: 18669
Examples taken from PubChem v2018 matching the filter: N S N CID 100977710 N S N CID 100977713 S N O O NH O CID 100979820 O S N NH O HO CID 100992547 O O O O O S N H H H CID 100999191

Filter: thioester_acyclic


Number of matches in PubChem v2018: 195381
Examples taken from PubChem v2018 matching the filter: OH O O O S CID 100976783 O O S NH O NH O O P O OH O P O OH O O N N N N NH2 OH O P O OH OH OH OH CID 100977022 O S O O O O CID 100977503 N S O CID 100977706 O S N CID 100977707

Filter: thioester_thiolactone


Number of matches in PubChem v2018: 962634
Examples taken from PubChem v2018 matching the filter: S O O O O F F F CID 100976740 OH O O O S CID 100976783 O O S NH O NH O O P O OH O P O OH O O N N N N NH2 OH O P O OH OH OH OH CID 100977022 O S O O O O CID 100977503 NH O S CID 100977730

Filter: thioether_count_2


Number of matches in PubChem v2018: 450045
Examples taken from PubChem v2018 matching the filter: N+ N O- S S S S S S O- CID 100976070 O S O S S S S S S S S CID 100976302 S N NH S CID 100976438 O O S S N+ O O- CID 100976511 S S S CID 100976772

Filter: thiol_count_2


Number of matches in PubChem v2018: 46817
Examples taken from PubChem v2018 matching the filter: O NH O NH O NH O NH O NH SH HS CID 100975529 O P- O SH SH CID 100975697 SH S HS+ CID 100975865 NH O S O NH SH SH CID 100977513 O NH S S O NH O NH O N O NH N NH SH NH O N NH2 H2N NH O NH2 O NH O NH NH2 O NH OH O NH OH O NH OH O NH SH O NH2 H CID 100978099

Filter: thiomorpholinedione


Number of matches in PubChem v2018: 1635
Examples taken from PubChem v2018 matching the filter: O O O O O N O S O O O O O CID 100999996 O O O O O O O O O O O O O OH N O S O O O O O CID 100999999 N O N OH S N OH O CID 123767826 O N O S O NH O F F F CID 4079530 H2N N O S O CID 130899063

Filter: thionoester


Number of matches in PubChem v2018: 6599
Examples taken from PubChem v2018 matching the filter: S O CID 100986790 O S NH O CID 100999829 O O O S N O O CID 129253918 O O S O O CID 87577715 O O O O O+ O O O S O HO HO OH OH HO OH OH OH OH OH OH OH CID 100916163

Filter: thioperoxide


Number of matches in PubChem v2018: 34381
Examples taken from PubChem v2018 matching the filter: O S Cl Cl Cl O S Cl Cl Cl CID 100979256 O S Cl Cl Cl O S Cl Cl Cl CID 100979260 O S Cl Cl Cl S O Cl Cl Cl CID 100979262 O S O O CID 100984367 O NH O NH S O O O NH O NH O O CID 100985477

Filter: thiophene_hydroxy


Number of matches in PubChem v2018: 12771
Examples taken from PubChem v2018 matching the filter: N Cl N N S O OH OH CID 87597214 O O O S OH CID 87599491 O NH N S O N NH S OH S O O N CID 89040894 S OH O O CID 89040936 S O N N NH F O NH2 S O N N H2N F O NH2 S N O F F OH N O S OH O NH2 F F F CID 123754264

Filter: thiophene_simple


Number of matches in PubChem v2018: 2564855
Examples taken from PubChem v2018 matching the filter: N OH O O O S OH OH OH OH OH H H H H CID 100975497 N O NH O S CID 100975604 S O O S S O O S CID 100975605 O S HO N+ N O- CID 100976235 O S S S S O CID 100976272

Filter: thiophosphothionate


Number of matches in PubChem v2018: 172
Examples taken from PubChem v2018 matching the filter: N N O P S HO SH CID 87596244 N O P S S CID 88889968 O P S N O SH CID 4073937 S P S N N S O CID 88791417 S P S N O O O CID 13649647

Filter: thiosulfoxide


Number of matches in PubChem v2018: 1427
Examples taken from PubChem v2018 matching the filter: S S O S CID 100980871 S O S HO OH CID 100984150 S O S O CID 87582626 N S O O NH O S S O OH OH CID 134689771 S O S OH CID 12302099

Filter: thiourea_thioester_cyclic


Number of matches in PubChem v2018: 1585916
Examples taken from PubChem v2018 matching the filter: O N NH S N N N+ O O- CID 100975414 O N S O O CID 100975932 N NH N NH S NH S N N S O O O S O O O- Na+ CID 100977250 N S S Cl O NH S NH O CID 100977696 O N NH S NH Br CID 100977951

Filter: thiuram_disulfide_dithiocarbamate


Number of matches in PubChem v2018: 292517
Examples taken from PubChem v2018 matching the filter: N S O N S S O OH CID 100978987 O S S N O O O CID 100982528 N S S O O N O O CID 100985282 N NH S S NH O CID 100986439 S S N N S S S S S S N S S N S S CID 100988392

Filter: triacylamine


Number of matches in PubChem v2018: 13415
Examples taken from PubChem v2018 matching the filter: N O N O O O Si CID 100978263 O O O O O O N O O CID 100981937 O O N N+ O O O O O O Si CID 100988864 N O N O O CID 100999362 Si N O N O O Si H H CID 100999390

Filter: triaryl_phosphine_oxide


Number of matches in PubChem v2018: 11988
Examples taken from PubChem v2018 matching the filter: O O O O P O O O O O CID 100981562 P O P O CID 100982453 N P O N CID 100988682 P O Sn CID 100995732 F F F O F F F O F F F F F F F F F F F F F P O F F F O F F F O F F F F F F F F F F F F F F F F O F F F O F F F F F F F F F F F F F CID 100998905

Filter: triazine_alkyl


Number of matches in PubChem v2018: 17941
Examples taken from PubChem v2018 matching the filter: N N NH O O CID 100975505 O O O N N NH O O O NH O O O O O O O O CID 100977685 N N N O O O O O O O O O O O O O O O Si O O O O O CID 100982256 O O N N N N N O O CID 100984231 N+ O O- NH N N N S CID 100988398

Filter: triazolol_esters


Number of matches in PubChem v2018: 1286
Examples taken from PubChem v2018 matching the filter: O O N N N NH O O CID 100987501 O NH HO O O N N N H2N CID 100992825 O O O O N N N N O NH O O O CID 123757011 N NH O NH F NH O O O O N N N CID 123759534 O O N N N N S O O N N N CID 87947083

Filter: tricarbonyls


Number of matches in PubChem v2018: 82535
Examples taken from PubChem v2018 matching the filter: O O O OH OH O O N O Cl Cl OH O O NH2 HO OH OH OH CID 100975898 O O O Cl O O H H CID 100978325 O HO O O OH O O NH O O H2N O O OH O O O O O OH OH H H H H CID 100983786 O O N O O OH CID 100985164 O O N NH O HO O OH O CID 100995309

Filter: trichloromethyl_ketone


Number of matches in PubChem v2018: 2435
Examples taken from PubChem v2018 matching the filter: O O Cl Cl Cl CID 100998660 O O Cl Cl Cl CID 100998665 O N O Cl Cl Cl CID 100922031 O Cl Cl Cl CID 87588357 N N N+ O O- O Cl Cl Cl CID 12320637

Filter: triflates_aliphatic


Number of matches in PubChem v2018: 6089
Examples taken from PubChem v2018 matching the filter: O O O O O O S O O F F F O O CID 100977119 O O O O O O O O O O S O O F F F CID 100979866 O O O O O S O S O O F F F CID 100984487 O O O S O O F F F CID 100987634 O S O O F F F O O O O O H H CID 100992486

Filter: triflates_aromatic


Number of matches in PubChem v2018: 6173
Examples taken from PubChem v2018 matching the filter: O O O O S O O F F F CID 100984251 CH4 CH4 CH4 O O O S O O F F F Sn CID 100986040 HO O S O O F F F CID 100987061 O S O O F F F OH O Si CID 100987071 NH N O O S O O F F F S CID 100987487

Filter: trifluoro_ethanol


Number of matches in PubChem v2018: 11163
Examples taken from PubChem v2018 matching the filter: N O O F F F CID 100981361 O O O F F F CID 100996897 O O O O F F F CID 129252419 O O O O O O O F F F O CID 129252708 N O O F F F I CID 129269757

Filter: trifluoro_trichloro_acetic_aci


Number of matches in PubChem v2018: 204169
Examples taken from PubChem v2018 matching the filter: S O O O O F F F CID 100976740 O O O O O O O O O O O O N O O O HN Cl Cl Cl O CID 100977163 O O NH Cl Cl Cl N N N N CID 100977199 N O O F F F O F F F O O F F F CID 100977893 Si O O O Si O Si O NH Cl Cl Cl CID 100980402

Filter: trifluoroacetate_thioester


Number of matches in PubChem v2018: 189
Examples taken from PubChem v2018 matching the filter: N N S O F F F N N CID 4070151 NH O O O NH O F F F S O F F F CID 88790471 S O F F F CID 129657587 O F F F S O O F F F CID 87744900 S O F F F CID 15481057

Filter: trifluoromethyl_ketone


Number of matches in PubChem v2018: 30770
Examples taken from PubChem v2018 matching the filter: O O O F F F CID 100976932 O F F F NH NH O F F F CID 100980737 O O O F F F O O O F F F CID 100981391 O O F F F O CID 100981674 NH2 O F F F Cl CID 100981808

Filter: trifluroacetate_amide


Number of matches in PubChem v2018: 81811
Examples taken from PubChem v2018 matching the filter: N O O F F F O F F F O O F F F CID 100977893 O O S S O O NH O F F F NH O F F F CID 100978964 O O NH O F F F CID 100982979 N NH O F F F NH O F F F OH CID 100987928 N N N N N O F F F CID 100991536

Filter: triphenyl_Silyl


Number of matches in PubChem v2018: 13220
Examples taken from PubChem v2018 matching the filter: O Si H CID 100977686 O Si O O O O OH O O H H CID 100981463 NH O- Si O- Si O- Al+3 CID 100923692 O Si CID 87587620 Si H2N Si NH2 CID 87596970

Filter: trityl_group_simple


Number of matches in PubChem v2018: 101614
Examples taken from PubChem v2018 matching the filter: NH2 CID 100976259 NH O S O O NH CID 100976260 O NH N N O NH O O O O O P+ O HO CID 100976278 O O N N NH N+ O O- N+ O O- O- N N O O O O O O Si H H H H CID 100976469 Si O O O O O O O O Si O HO O Si O Si CID 100977092

Filter: tropone


Number of matches in PubChem v2018: 38
Examples taken from PubChem v2018 matching the filter: O+ O Cl O O F P- F F F F F CID 10602932 O+ O CID 11727009 O+ O CID 20675527 O+ O NH2 CID 20675528 O+ SiH- O N+ O O- CID 123434364

Filter: vinyl_carbonyl_EWG


Number of matches in PubChem v2018: 718
Examples taken from PubChem v2018 matching the filter: O O O O O O CID 71400119 O O O O N O O O O N CID 71415639 O N O H2N CID 84094022 O O O O O O O O CID 44179688 O N N N- N Cl NH4+ CID 129750037

Filter: vinyl_sulphone


Number of matches in PubChem v2018: 4708
Examples taken from PubChem v2018 matching the filter: O O O NH O NH O O S O O NH O O O NH O O CID 129271313 S O O O HO NH2 CID 129271321 O NH N O NH O NH O OH S O O NH O CID 129271363 S O O O O NH O O CID 129271460 S O O O OH O O H2N CID 87580281

Filter: xanthate


Number of matches in PubChem v2018: 9799
Examples taken from PubChem v2018 matching the filter: N S S O CID 100977708 O O O Si O S S O- CID 100987339 S N O S S CID 100994742 O P O O O S S S N+ O O- O CID 129252191 Si Si Si S S S- Si Si Si Si Si Si S S S- Si Si Si Pb+2 CID 100915071