diff options
Diffstat (limited to 'paper/functional-groups.csv')
| -rw-r--r-- | paper/functional-groups.csv | 307 |
1 files changed, 307 insertions, 0 deletions
diff --git a/paper/functional-groups.csv b/paper/functional-groups.csv new file mode 100644 index 0000000..414c28c --- /dev/null +++ b/paper/functional-groups.csv @@ -0,0 +1,307 @@ +Primary_carbon, 303, 287 +Secondary_carbon, 147, 149 +Tertiary_carbon, 91, 73 +Quaternary_carbon, 58, 60 +Alkene, 39, 30 +Alkyne, 5, 8 +Allene, 0, 0 +Alkylchloride, 71, 41 +Alkylfluoride, 52, 74 +Alkylbromide, 5, 3 +Alkyliodide, 0, 0 +Alcohol, 44, 27 +Primary_alcohol, 12, 2 +Secondary_alcohol, 23, 10 +Tertiary_alcohol, 18, 21 +Dialkylether, 35, 32 +Dialkylthioether, 14, 6 +Alkylarylether, 62, 90 +Diarylether, 35, 47 +Alkylarylthioether, 11, 10 +Diarylthioether, 3, 0 +Oxonium, 0, 0 +Amine, 66, 41 +Primary_aliph_amine, 8, 3 +Secondary_aliph_amine, 2, 2 +Tertiary_aliph_amine, 16, 9 +Quaternary_aliph_ammonium, 1, 6 +Primary_arom_amine, 26, 15 +Secondary_arom_amine, 2, 1 +Tertiary_arom_amine, 19, 0 +Quaternary_arom_ammonium, 0, 0 +Secondary_mixed_amine, 8, 3 +Tertiary_mixed_amine, 14, 7 +Quaternary_mixed_ammonium, 0, 0 +Ammonium, 1, 6 +Alkylthiol, 0, 0 +Dialkylthioether, 10, 4 +Alkylarylthioether, 10, 10 +Disulfide, 4, 2 +1,2-Aminoalcohol, 5, 0 +1,2-Diol, 12, 3 +1,1-Diol, 1, 0 +Hydroperoxide, 0, 0 +Peroxo, 0, 0 +Organolithium_compounds, 0, 0 +Organomagnesium_compounds, 0, 0 +Organometallic_compounds, 1, 5 +Aldehyde, 3, 1 +Ketone, 21, 25 +Thioaldehyde, 0, 0 +Thioketone, 0, 0 +Imine, 0, 0 +Immonium, 0, 0 +Oxime, 0, 0 +Oximether, 7, 15 +Acetal, 13, 13 +Hemiacetal, 1, 0 +Aminal, 1, 0 +Hemiaminal, 0, 0 +Thioacetal, 0, 0 +Thiohemiacetal, 0, 0 +Halogen_acetal_like, 13, 14 +Acetal_like, 34, 30 +Halogenmethylen_ester_and_similar, 1, 0 +NOS_methylen_ester_and_similar, 18, 19 +Hetero_methylen_ester_and_similar, 19, 19 +Cyanhydrine, 0, 0 +Chloroalkene, 39, 21 +Fluoroalkene, 0, 1 +Bromoalkene, 1, 2 +Iodoalkene, 1, 0 +Enol, 4, 5 +Endiol, 2, 0 +Enolether, 2, 4 +Enolester, 0, 6 +Enamine, 0, 1 +Thioenol, 0, 0 +Thioenolether, 1, 1 +Acylchloride, 0, 0 +Acylfluoride, 0, 0 +Acylbromide, 0, 0 +Acyliodide, 0, 0 +Acylhalide, 0, 0 +Carboxylic_acid, 33, 38 +Carboxylic_ester, 0, 0 +Lactone, 11, 10 +Carboxylic_anhydride, 1, 0 +Carboxylic_acid_derivative, 215, 227 +Carbothioic_acid, 0, 0 +Carbothioic_S_ester, 1, 1 +Carbothioic_S_lactone, 0, 0 +Carbothioic_O_ester, 0, 0 +Carbothioic_O_lactone, 0, 0 +Carbothioic_halide, 0, 0 +Carbodithioic_acid, 0, 0 +Carbodithioic_ester, 0, 0 +Carbodithiolactone, 0, 0 +Amide, 38, 60 +Primary_amide, 2, 1 +Secondary_amide, 22, 36 +Tertiary_amide, 15, 23 +Lactam, 12, 18 +Alkyl_imide, 5, 4 +N_hetero_imide, 6, 3 +Imide_acidic, 0, 0 +Thioamide, 0, 0 +Thiolactam, 0, 0 +Oximester, 0, 0 +Amidine, 3, 4 +Hydroxamic_acid, 0, 0 +Hydroxamic_acid_ester, 1, 1 +Imidoacid, 0, 0 +Imidoacid_cyclic, 0, 2 +Imidoester, 0, 0 +Imidolactone, 13, 32 +Imidothioacid, 0, 0 +Imidothioacid_cyclic, 0, 0 +Imidothioester, 0, 0 +Imidothiolactone, 1, 1 +Amidine, 3, 5 +Imidolactam, 3, 2 +Imidoylhalide, 0, 0 +Imidoylhalide_cyclic, 10, 19 +Amidrazone, 0, 0 +Alpha_aminoacid, 1, 1 +Alpha_hydroxyacid, 0, 0 +Peptide_middle, 0, 0 +Peptide_C_term, 0, 0 +Peptide_N_term, 1, 0 +Carboxylic_orthoester, 0, 0 +Ketene, 0, 0 +Ketenacetal, 0, 0 +Nitrile, 35, 39 +Isonitrile, 0, 0 +Vinylogous_carbonyl_or_carboxyl_derivative, 70, 97 +Vinylogous_acid, 9, 8 +Vinylogous_ester, 113, 120 +Vinylogous_amide, 19, 24 +Vinylogous_halide, 11, 27 +Carbonic_acid_dieester, 0, 2 +Carbonic_acid_esterhalide, 0, 0 +Carbonic_acid_monoester, 0, 0 +Carbonic_acid_derivatives, 109, 131 +Thiocarbonic_acid_dieester, 0, 0 +Thiocarbonic_acid_esterhalide, 0, 0 +Thiocarbonic_acid_monoester, 0, 0 +Urea, 23, 21 +Thiourea, 4, 4 +Isourea, 0, 1 +Isothiourea, 1, 3 +Guanidine, 6, 7 +Carbaminic_acid, 0, 0 +Urethan, 34, 35 +Biuret, 1, 4 +Semicarbazide, 0, 0 +Carbazide, 0, 0 +Semicarbazone, 1, 3 +Carbazone, 0, 0 +Thiosemicarbazide, 1, 0 +Thiocarbazide, 0, 0 +Thiosemicarbazone, 0, 0 +Thiocarbazone, 0, 0 +Isocyanate, 0, 0 +Cyanate, 0, 0 +Isothiocyanate, 0, 0 +Thiocyanate, 0, 0 +Carbodiimide, 0, 0 +Orthocarbonic_derivatives, 0, 0 +Phenol, 27, 9 +1,2-Diphenol, 2, 0 +Arylchloride, 142, 163 +Arylfluoride, 22, 41 +Arylbromide, 4, 8 +Aryliodide, 1, 4 +Arylthiol, 0, 0 +Iminoarene, 0, 1 +Oxoarene, 32, 29 +Thioarene, 1, 2 +Hetero_N_basic_H, 17, 11 +Hetero_N_basic_no_H, 59, 90 +Hetero_N_nonbasic, 127, 191 +Hetero_O, 10, 12 +Hetero_S, 17, 18 +Heteroaromatic, 147, 205 +Nitrite, 0, 0 +Thionitrite, 0, 0 +Nitrate, 0, 0 +Nitro, 42, 31 +Nitroso, 0, 0 +Azide, 0, 0 +Acylazide, 0, 0 +Diazo, 0, 0 +Diazonium, 0, 0 +Nitrosamine, 0, 0 +Nitrosamide, 0, 0 +N-Oxide, 0, 1 +Hydrazine, 1, 0 +Hydrazone, 1, 0 +Hydroxylamine, 3, 0 +Sulfon, 3, 14 +Sulfoxide, 2, 3 +Sulfonium, 0, 0 +Sulfuric_acid, 0, 0 +Sulfuric_monoester, 0, 0 +Sulfuric_diester, 0, 0 +Sulfuric_monoamide, 1, 0 +Sulfuric_diamide, 0, 0 +Sulfuric_esteramide, 0, 1 +Sulfuric_derivative, 5, 8 +Sulfonic_acid, 4, 0 +Sulfonamide, 6, 9 +Sulfonic_ester, 1, 0 +Sulfonic_halide, 0, 0 +Sulfonic_derivative, 24, 29 +Sulfinic_acid, 0, 0 +Sulfinic_amide, 0, 0 +Sulfinic_ester, 0, 0 +Sulfinic_halide, 0, 0 +Sulfinic_derivative, 0, 0 +Sulfenic_acid, 0, 0 +Sulfenic_amide, 0, 0 +Sulfenic_ester, 0, 0 +Sulfenic_halide, 0, 0 +Sulfenic_derivative, 48, 34 +Phosphine, 0, 0 +Phosphine_oxide, 0, 0 +Phosphonium, 0, 0 +Phosphorylen, 0, 0 +Phosphonic_acid, 5, 5 +Phosphonic_monoester, 1, 1 +Phosphonic_diester, 2, 1 +Phosphonic_monoamide, 0, 0 +Phosphonic_diamide, 0, 0 +Phosphonic_esteramide, 0, 0 +Phosphonic_acid_derivative, 10, 7 +Phosphoric_acid, 0, 0 +Phosphoric_monoester, 0, 0 +Phosphoric_diester, 0, 0 +Phosphoric_triester, 10, 3 +Phosphoric_monoamide, 0, 0 +Phosphoric_diamide, 0, 0 +Phosphoric_triamide, 0, 0 +Phosphoric_monoestermonoamide, 0, 0 +Phosphoric_diestermonoamide, 3, 2 +Phosphoric_monoesterdiamide, 0, 0 +Phosphoric_acid_derivative, 70, 44 +Phosphinic_acid, 1, 1 +Phosphinic_ester, 0, 0 +Phosphinic_amide, 0, 0 +Phosphinic_acid_derivative, 1, 1 +Phosphonous_acid, 0, 0 +Phosphonous_monoester, 0, 0 +Phosphonous_diester, 0, 0 +Phosphonous_monoamide, 0, 0 +Phosphonous_diamide, 0, 0 +Phosphonous_esteramide, 0, 0 +Phosphonous_derivatives, 0, 0 +Phosphinous_acid, 0, 0 +Phosphinous_ester, 0, 0 +Phosphinous_amide, 0, 0 +Phosphinous_derivatives, 0, 0 +Quart_silane, 1, 2 +Non-quart_silane, 0, 0 +Silylmonohalide, 0, 0 +Het_trialkylsilane, 0, 0 +Dihet_dialkylsilane, 0, 0 +Trihet_alkylsilane, 0, 0 +Silicic_acid_derivative, 0, 0 +Trialkylborane, 0, 0 +Boric_acid_derivatives, 0, 0 +Boronic_acid_derivative, 0, 0 +Borohydride, 0, 0 +Quaternary_boron, 0, 0 +Aromatic, 402, 396 +Heterocyclic, 228, 272 +Epoxide, 11, 2 +NH_aziridine, 0, 0 +Spiro, 3, 10 +Annelated_rings, 97, 73 +Bridged_rings, 8, 4 +Sugar_pattern_1, 10, 9 +Sugar_pattern_2, 6, 7 +Sugar_pattern_combi, 4, 5 +Sugar_pattern_2_reducing, 1, 0 +Sugar_pattern_2_alpha, 1, 1 +Sugar_pattern_2_beta, 1, 1 +Conjugated_double_bond, 207, 213 +Conjugated_tripple_bond, 10, 19 +Cis_double_bond, 31, 19 +Trans_double_bond, 31, 19 +Mixed_anhydrides, 1, 0 +Halogen_on_hetero, 0, 0 +Halogen_multi_subst, 1, 6 +Trifluoromethyl, 44, 63 +C_ONS_bond, 520, 484 +Charged, 27, 51 +Anion, 26, 45 +Kation, 25, 51 +Salt, 26, 45 +1,3-Tautomerizable, 265, 296 +1,5-Tautomerizable, 124, 148 +Rotatable_bond, 488, 462 +Michael_acceptor, 33, 33 +Dicarbodiazene, 0, 0 +CH-acidic, 60, 73 +CH-acidic_strong, 1, 4 +Chiral_center_specified, 1, 2 |