OCDocker.DB.Models.Ligands module¶

SQLAlchemy model for ligand descriptors and complex relationships.

Usage:

from OCDocker.DB.Models.Ligands import Ligands

class OCDocker.DB.Models.Ligands.Ligands(**kwargs)[source]¶

Bases: Base

SQLAlchemy model for ligand descriptor columns.

Dynamic columns are added from OCDocker.Ligand.Ligand.allDescriptors.

id¶

Primary key.

Type:: sqlalchemy.Integer

complexes¶

Related docking complexes for this ligand.

Type:: list[Complexes]

allDescriptors¶

Names of dynamically mapped descriptor columns (class attribute).

Type:: list[str]

allDescriptors = ['AUTOCORR2D_1', 'AUTOCORR2D_2', 'AUTOCORR2D_3', 'AUTOCORR2D_4', 'AUTOCORR2D_5', 'AUTOCORR2D_6', 'AUTOCORR2D_7', 'AUTOCORR2D_8', 'AUTOCORR2D_9', 'AUTOCORR2D_10', 'AUTOCORR2D_11', 'AUTOCORR2D_12', 'AUTOCORR2D_13', 'AUTOCORR2D_14', 'AUTOCORR2D_15', 'AUTOCORR2D_16', 'AUTOCORR2D_17', 'AUTOCORR2D_18', 'AUTOCORR2D_19', 'AUTOCORR2D_20', 'AUTOCORR2D_21', 'AUTOCORR2D_22', 'AUTOCORR2D_23', 'AUTOCORR2D_24', 'AUTOCORR2D_25', 'AUTOCORR2D_26', 'AUTOCORR2D_27', 'AUTOCORR2D_28', 'AUTOCORR2D_29', 'AUTOCORR2D_30', 'AUTOCORR2D_31', 'AUTOCORR2D_32', 'AUTOCORR2D_33', 'AUTOCORR2D_34', 'AUTOCORR2D_35', 'AUTOCORR2D_36', 'AUTOCORR2D_37', 'AUTOCORR2D_38', 'AUTOCORR2D_39', 'AUTOCORR2D_40', 'AUTOCORR2D_41', 'AUTOCORR2D_42', 'AUTOCORR2D_43', 'AUTOCORR2D_44', 'AUTOCORR2D_45', 'AUTOCORR2D_46', 'AUTOCORR2D_47', 'AUTOCORR2D_48', 'AUTOCORR2D_49', 'AUTOCORR2D_50', 'AUTOCORR2D_51', 'AUTOCORR2D_52', 'AUTOCORR2D_53', 'AUTOCORR2D_54', 'AUTOCORR2D_55', 'AUTOCORR2D_56', 'AUTOCORR2D_57', 'AUTOCORR2D_58', 'AUTOCORR2D_59', 'AUTOCORR2D_60', 'AUTOCORR2D_61', 'AUTOCORR2D_62', 'AUTOCORR2D_63', 'AUTOCORR2D_64', 'AUTOCORR2D_65', 'AUTOCORR2D_66', 'AUTOCORR2D_67', 'AUTOCORR2D_68', 'AUTOCORR2D_69', 'AUTOCORR2D_70', 'AUTOCORR2D_71', 'AUTOCORR2D_72', 'AUTOCORR2D_73', 'AUTOCORR2D_74', 'AUTOCORR2D_75', 'AUTOCORR2D_76', 'AUTOCORR2D_77', 'AUTOCORR2D_78', 'AUTOCORR2D_79', 'AUTOCORR2D_80', 'AUTOCORR2D_81', 'AUTOCORR2D_82', 'AUTOCORR2D_83', 'AUTOCORR2D_84', 'AUTOCORR2D_85', 'AUTOCORR2D_86', 'AUTOCORR2D_87', 'AUTOCORR2D_88', 'AUTOCORR2D_89', 'AUTOCORR2D_90', 'AUTOCORR2D_91', 'AUTOCORR2D_92', 'AUTOCORR2D_93', 'AUTOCORR2D_94', 'AUTOCORR2D_95', 'AUTOCORR2D_96', 'AUTOCORR2D_97', 'AUTOCORR2D_98', 'AUTOCORR2D_99', 'AUTOCORR2D_100', 'AUTOCORR2D_101', 'AUTOCORR2D_102', 'AUTOCORR2D_103', 'AUTOCORR2D_104', 'AUTOCORR2D_105', 'AUTOCORR2D_106', 'AUTOCORR2D_107', 'AUTOCORR2D_108', 'AUTOCORR2D_109', 'AUTOCORR2D_110', 'AUTOCORR2D_111', 'AUTOCORR2D_112', 'AUTOCORR2D_113', 'AUTOCORR2D_114', 'AUTOCORR2D_115', 'AUTOCORR2D_116', 'AUTOCORR2D_117', 'AUTOCORR2D_118', 'AUTOCORR2D_119', 'AUTOCORR2D_120', 'AUTOCORR2D_121', 'AUTOCORR2D_122', 'AUTOCORR2D_123', 'AUTOCORR2D_124', 'AUTOCORR2D_125', 'AUTOCORR2D_126', 'AUTOCORR2D_127', 'AUTOCORR2D_128', 'AUTOCORR2D_129', 'AUTOCORR2D_130', 'AUTOCORR2D_131', 'AUTOCORR2D_132', 'AUTOCORR2D_133', 'AUTOCORR2D_134', 'AUTOCORR2D_135', 'AUTOCORR2D_136', 'AUTOCORR2D_137', 'AUTOCORR2D_138', 'AUTOCORR2D_139', 'AUTOCORR2D_140', 'AUTOCORR2D_141', 'AUTOCORR2D_142', 'AUTOCORR2D_143', 'AUTOCORR2D_144', 'AUTOCORR2D_145', 'AUTOCORR2D_146', 'AUTOCORR2D_147', 'AUTOCORR2D_148', 'AUTOCORR2D_149', 'AUTOCORR2D_150', 'AUTOCORR2D_151', 'AUTOCORR2D_152', 'AUTOCORR2D_153', 'AUTOCORR2D_154', 'AUTOCORR2D_155', 'AUTOCORR2D_156', 'AUTOCORR2D_157', 'AUTOCORR2D_158', 'AUTOCORR2D_159', 'AUTOCORR2D_160', 'AUTOCORR2D_161', 'AUTOCORR2D_162', 'AUTOCORR2D_163', 'AUTOCORR2D_164', 'AUTOCORR2D_165', 'AUTOCORR2D_166', 'AUTOCORR2D_167', 'AUTOCORR2D_168', 'AUTOCORR2D_169', 'AUTOCORR2D_170', 'AUTOCORR2D_171', 'AUTOCORR2D_172', 'AUTOCORR2D_173', 'AUTOCORR2D_174', 'AUTOCORR2D_175', 'AUTOCORR2D_176', 'AUTOCORR2D_177', 'AUTOCORR2D_178', 'AUTOCORR2D_179', 'AUTOCORR2D_180', 'AUTOCORR2D_181', 'AUTOCORR2D_182', 'AUTOCORR2D_183', 'AUTOCORR2D_184', 'AUTOCORR2D_185', 'AUTOCORR2D_186', 'AUTOCORR2D_187', 'AUTOCORR2D_188', 'AUTOCORR2D_189', 'AUTOCORR2D_190', 'AUTOCORR2D_191', 'AUTOCORR2D_192', 'BCUT2D_CHGHI', 'BCUT2D_CHGLO', 'BCUT2D_LOGPHI', 'BCUT2D_LOGPLOW', 'BCUT2D_MRHI', 'BCUT2D_MRLOW', 'BCUT2D_MWHI', 'BCUT2D_MWLOW', 'fr_Al_COO', 'fr_Al_OH', 'fr_Al_OH_noTert', 'fr_ArN', 'fr_Ar_COO', 'fr_Ar_N', 'fr_Ar_NH', 'fr_Ar_OH', 'fr_COO', 'fr_COO2', 'fr_C_O', 'fr_C_O_noCOO', 'fr_C_S', 'fr_HOCCN', 'fr_Imine', 'fr_NH0', 'fr_NH1', 'fr_NH2', 'fr_N_O', 'fr_Ndealkylation1', 'fr_Ndealkylation2', 'fr_Nhpyrrole', 'fr_SH', 'fr_aldehyde', 'fr_alkyl_carbamate', 'fr_alkyl_halide', 'fr_allylic_oxid', 'fr_amide', 'fr_amidine', 'fr_aniline', 'fr_aryl_methyl', 'fr_azide', 'fr_azo', 'fr_barbitur', 'fr_benzene', 'fr_benzodiazepine', 'fr_bicyclic', 'fr_diazo', 'fr_dihydropyridine', 'fr_epoxide', 'fr_ester', 'fr_ether', 'fr_furan', 'fr_guanido', 'fr_halogen', 'fr_hdrzine', 'fr_hdrzone', 'fr_imidazole', 'fr_imide', 'fr_isocyan', 'fr_isothiocyan', 'fr_ketone', 'fr_ketone_Topliss', 'fr_lactam', 'fr_lactone', 'fr_methoxy', 'fr_morpholine', 'fr_nitrile', 'fr_nitro', 'fr_nitro_arom', 'fr_nitro_arom_nonortho', 'fr_nitroso', 'fr_oxazole', 'fr_oxime', 'fr_para_hydroxylation', 'fr_phenol', 'fr_phenol_noOrthoHbond', 'fr_phos_acid', 'fr_phos_ester', 'fr_piperdine', 'fr_piperzine', 'fr_priamide', 'fr_prisulfonamd', 'fr_pyridine', 'fr_quatN', 'fr_sulfide', 'fr_sulfonamd', 'fr_sulfone', 'fr_term_acetylene', 'fr_tetrazole', 'fr_thiazole', 'fr_thiocyan', 'fr_thiophene', 'fr_unbrch_alkane', 'fr_urea', 'Chi0', 'Chi0v', 'Chi0n', 'Chi1', 'Chi1v', 'Chi1n', 'Chi2v', 'Chi2n', 'Chi3v', 'Chi3n', 'Chi4v', 'Chi4n', 'EState_VSA1', 'EState_VSA2', 'EState_VSA3', 'EState_VSA4', 'EState_VSA5', 'EState_VSA6', 'EState_VSA7', 'EState_VSA8', 'EState_VSA9', 'EState_VSA10', 'EState_VSA11', 'FpDensityMorgan1', 'FpDensityMorgan2', 'FpDensityMorgan3', 'Kappa1', 'Kappa2', 'Kappa3', 'MolLogP', 'MolMR', 'MolWt', 'NumAliphaticCarbocycles', 'NumAliphaticHeterocycles', 'NumAliphaticRings', 'NumAromaticCarbocycles', 'NumAromaticHeterocycles', 'NumAromaticRings', 'NumHAcceptors', 'NumHDonors', 'NumHeteroatoms', 'NumRadicalElectrons', 'NumRotatableBonds', 'NumSaturatedCarbocycles', 'NumSaturatedHeterocycles', 'NumSaturatedRings', 'NumValenceElectrons', 'NPR1', 'NPR2', 'PMI1', 'PMI2', 'PMI3', 'PEOE_VSA1', 'PEOE_VSA2', 'PEOE_VSA3', 'PEOE_VSA4', 'PEOE_VSA5', 'PEOE_VSA6', 'PEOE_VSA7', 'PEOE_VSA8', 'PEOE_VSA9', 'PEOE_VSA10', 'PEOE_VSA11', 'PEOE_VSA12', 'PEOE_VSA13', 'PEOE_VSA14', 'SMR_VSA1', 'SMR_VSA2', 'SMR_VSA3', 'SMR_VSA4', 'SMR_VSA5', 'SMR_VSA6', 'SMR_VSA7', 'SMR_VSA8', 'SMR_VSA9', 'SMR_VSA10', 'SlogP_VSA1', 'SlogP_VSA2', 'SlogP_VSA3', 'SlogP_VSA4', 'SlogP_VSA5', 'SlogP_VSA6', 'SlogP_VSA7', 'SlogP_VSA8', 'SlogP_VSA9', 'SlogP_VSA10', 'SlogP_VSA11', 'SlogP_VSA12', 'VSA_EState1', 'VSA_EState2', 'VSA_EState3', 'VSA_EState4', 'VSA_EState5', 'VSA_EState6', 'VSA_EState7', 'VSA_EState8', 'VSA_EState9', 'VSA_EState10', 'BalabanJ', 'BertzCT', 'ExactMolWt', 'FractionCSP3', 'HallKierAlpha', 'HeavyAtomMolWt', 'HeavyAtomCount', 'LabuteASA', 'TPSA', 'MaxAbsEStateIndex', 'MaxEStateIndex', 'MinAbsEStateIndex', 'MinEStateIndex', 'MaxAbsPartialCharge', 'MaxPartialCharge', 'MinAbsPartialCharge', 'MinPartialCharge', 'qed', 'RingCount', 'Asphericity', 'Eccentricity', 'InertialShapeFactor', 'RadiusOfGyration', 'SpherocityIndex', 'NHOHCount', 'NOCount']¶

AUTOCORR2D_1¶

AUTOCORR2D_10¶

AUTOCORR2D_100¶

AUTOCORR2D_101¶

AUTOCORR2D_102¶

AUTOCORR2D_103¶

AUTOCORR2D_104¶

AUTOCORR2D_105¶

AUTOCORR2D_106¶

AUTOCORR2D_107¶

AUTOCORR2D_108¶

AUTOCORR2D_109¶

AUTOCORR2D_11¶

AUTOCORR2D_110¶

AUTOCORR2D_111¶

AUTOCORR2D_112¶

AUTOCORR2D_113¶

AUTOCORR2D_114¶

AUTOCORR2D_115¶

AUTOCORR2D_116¶

AUTOCORR2D_117¶

AUTOCORR2D_118¶

AUTOCORR2D_119¶

AUTOCORR2D_12¶

AUTOCORR2D_120¶

AUTOCORR2D_121¶

AUTOCORR2D_122¶

AUTOCORR2D_123¶

AUTOCORR2D_124¶

AUTOCORR2D_125¶

AUTOCORR2D_126¶

AUTOCORR2D_127¶

AUTOCORR2D_128¶

AUTOCORR2D_129¶

AUTOCORR2D_13¶

AUTOCORR2D_130¶

AUTOCORR2D_131¶

AUTOCORR2D_132¶

AUTOCORR2D_133¶

AUTOCORR2D_134¶

AUTOCORR2D_135¶

AUTOCORR2D_136¶

AUTOCORR2D_137¶

AUTOCORR2D_138¶

AUTOCORR2D_139¶

AUTOCORR2D_14¶

AUTOCORR2D_140¶

AUTOCORR2D_141¶

AUTOCORR2D_142¶

AUTOCORR2D_143¶

AUTOCORR2D_144¶

AUTOCORR2D_145¶

AUTOCORR2D_146¶

AUTOCORR2D_147¶

AUTOCORR2D_148¶

AUTOCORR2D_149¶

AUTOCORR2D_15¶

AUTOCORR2D_150¶

AUTOCORR2D_151¶

AUTOCORR2D_152¶

AUTOCORR2D_153¶

AUTOCORR2D_154¶

AUTOCORR2D_155¶

AUTOCORR2D_156¶

AUTOCORR2D_157¶

AUTOCORR2D_158¶

AUTOCORR2D_159¶

AUTOCORR2D_16¶

AUTOCORR2D_160¶

AUTOCORR2D_161¶

AUTOCORR2D_162¶

AUTOCORR2D_163¶

AUTOCORR2D_164¶

AUTOCORR2D_165¶

AUTOCORR2D_166¶

AUTOCORR2D_167¶

AUTOCORR2D_168¶

AUTOCORR2D_169¶

AUTOCORR2D_17¶

AUTOCORR2D_170¶

AUTOCORR2D_171¶

AUTOCORR2D_172¶

AUTOCORR2D_173¶

AUTOCORR2D_174¶

AUTOCORR2D_175¶

AUTOCORR2D_176¶

AUTOCORR2D_177¶

AUTOCORR2D_178¶

AUTOCORR2D_179¶

AUTOCORR2D_18¶

AUTOCORR2D_180¶

AUTOCORR2D_181¶

AUTOCORR2D_182¶

AUTOCORR2D_183¶

AUTOCORR2D_184¶

AUTOCORR2D_185¶

AUTOCORR2D_186¶

AUTOCORR2D_187¶

AUTOCORR2D_188¶

AUTOCORR2D_189¶

AUTOCORR2D_19¶

AUTOCORR2D_190¶

AUTOCORR2D_191¶

AUTOCORR2D_192¶

AUTOCORR2D_2¶

AUTOCORR2D_20¶

AUTOCORR2D_21¶

AUTOCORR2D_22¶

AUTOCORR2D_23¶

AUTOCORR2D_24¶

AUTOCORR2D_25¶

AUTOCORR2D_26¶

AUTOCORR2D_27¶

AUTOCORR2D_28¶

AUTOCORR2D_29¶

AUTOCORR2D_3¶

AUTOCORR2D_30¶

AUTOCORR2D_31¶

AUTOCORR2D_32¶

AUTOCORR2D_33¶

AUTOCORR2D_34¶

AUTOCORR2D_35¶

AUTOCORR2D_36¶

AUTOCORR2D_37¶

AUTOCORR2D_38¶

AUTOCORR2D_39¶

AUTOCORR2D_4¶

AUTOCORR2D_40¶

AUTOCORR2D_41¶

AUTOCORR2D_42¶

AUTOCORR2D_43¶

AUTOCORR2D_44¶

AUTOCORR2D_45¶

AUTOCORR2D_46¶

AUTOCORR2D_47¶

AUTOCORR2D_48¶

AUTOCORR2D_49¶

AUTOCORR2D_5¶

AUTOCORR2D_50¶

AUTOCORR2D_51¶

AUTOCORR2D_52¶

AUTOCORR2D_53¶

AUTOCORR2D_54¶

AUTOCORR2D_55¶

AUTOCORR2D_56¶

AUTOCORR2D_57¶

AUTOCORR2D_58¶

AUTOCORR2D_59¶

AUTOCORR2D_6¶

AUTOCORR2D_60¶

AUTOCORR2D_61¶

AUTOCORR2D_62¶

AUTOCORR2D_63¶

AUTOCORR2D_64¶

AUTOCORR2D_65¶

AUTOCORR2D_66¶

AUTOCORR2D_67¶

AUTOCORR2D_68¶

AUTOCORR2D_69¶

AUTOCORR2D_7¶

AUTOCORR2D_70¶

AUTOCORR2D_71¶

AUTOCORR2D_72¶

AUTOCORR2D_73¶

AUTOCORR2D_74¶

AUTOCORR2D_75¶

AUTOCORR2D_76¶

AUTOCORR2D_77¶

AUTOCORR2D_78¶

AUTOCORR2D_79¶

AUTOCORR2D_8¶

AUTOCORR2D_80¶

AUTOCORR2D_81¶

AUTOCORR2D_82¶

AUTOCORR2D_83¶

AUTOCORR2D_84¶

AUTOCORR2D_85¶

AUTOCORR2D_86¶

AUTOCORR2D_87¶

AUTOCORR2D_88¶

AUTOCORR2D_89¶

AUTOCORR2D_9¶

AUTOCORR2D_90¶

AUTOCORR2D_91¶

AUTOCORR2D_92¶

AUTOCORR2D_93¶

AUTOCORR2D_94¶

AUTOCORR2D_95¶

AUTOCORR2D_96¶

AUTOCORR2D_97¶

AUTOCORR2D_98¶

AUTOCORR2D_99¶

Asphericity¶

BCUT2D_CHGHI¶

BCUT2D_CHGLO¶

BCUT2D_LOGPHI¶

BCUT2D_LOGPLOW¶

BCUT2D_MRHI¶

BCUT2D_MRLOW¶

BCUT2D_MWHI¶

BCUT2D_MWLOW¶

BalabanJ¶

BertzCT¶

Chi0¶

Chi0n¶

Chi0v¶

Chi1¶

Chi1n¶

Chi1v¶

Chi2n¶

Chi2v¶

Chi3n¶

Chi3v¶

Chi4n¶

Chi4v¶

EState_VSA1¶

EState_VSA10¶

EState_VSA11¶

EState_VSA2¶

EState_VSA3¶

EState_VSA4¶

EState_VSA5¶

EState_VSA6¶

EState_VSA7¶

EState_VSA8¶

EState_VSA9¶

Eccentricity¶

ExactMolWt¶

FpDensityMorgan1¶

FpDensityMorgan2¶

FpDensityMorgan3¶

FractionCSP3¶

HallKierAlpha¶

HeavyAtomCount¶

HeavyAtomMolWt¶

InertialShapeFactor¶

Kappa1¶

Kappa2¶

Kappa3¶

LabuteASA¶

MaxAbsEStateIndex¶

MaxAbsPartialCharge¶

MaxEStateIndex¶

MaxPartialCharge¶

MinAbsEStateIndex¶

MinAbsPartialCharge¶

MinEStateIndex¶

MinPartialCharge¶

MolLogP¶

MolMR¶

MolWt¶

NHOHCount¶

NOCount¶

NPR1¶

NPR2¶

NumAliphaticCarbocycles¶

NumAliphaticHeterocycles¶

NumAliphaticRings¶

NumAromaticCarbocycles¶

NumAromaticHeterocycles¶

NumAromaticRings¶

NumHAcceptors¶

NumHDonors¶

NumHeteroatoms¶

NumRadicalElectrons¶

NumRotatableBonds¶

NumSaturatedCarbocycles¶

NumSaturatedHeterocycles¶

NumSaturatedRings¶

NumValenceElectrons¶

PEOE_VSA1¶

PEOE_VSA10¶

PEOE_VSA11¶

PEOE_VSA12¶

PEOE_VSA13¶

PEOE_VSA14¶

PEOE_VSA2¶

PEOE_VSA3¶

PEOE_VSA4¶

PEOE_VSA5¶

PEOE_VSA6¶

PEOE_VSA7¶

PEOE_VSA8¶

PEOE_VSA9¶

PMI1¶

PMI2¶

PMI3¶

RadiusOfGyration¶

RingCount¶

SMR_VSA1¶

SMR_VSA10¶

SMR_VSA2¶

SMR_VSA3¶

SMR_VSA4¶

SMR_VSA5¶

SMR_VSA6¶

SMR_VSA7¶

SMR_VSA8¶

SMR_VSA9¶

SlogP_VSA1¶

SlogP_VSA10¶

SlogP_VSA11¶

SlogP_VSA12¶

SlogP_VSA2¶

SlogP_VSA3¶

SlogP_VSA4¶

SlogP_VSA5¶

SlogP_VSA6¶

SlogP_VSA7¶

SlogP_VSA8¶

SlogP_VSA9¶

SpherocityIndex¶

TPSA¶

VSA_EState1¶

VSA_EState10¶

VSA_EState2¶

VSA_EState3¶

VSA_EState4¶

VSA_EState5¶

VSA_EState6¶

VSA_EState7¶

VSA_EState8¶

VSA_EState9¶

complexes¶

created_at¶

fr_Al_COO¶

fr_Al_OH¶

fr_Al_OH_noTert¶

fr_ArN¶

fr_Ar_COO¶

fr_Ar_N¶

fr_Ar_NH¶

fr_Ar_OH¶

fr_COO¶

fr_COO2¶

fr_C_O¶

fr_C_O_noCOO¶

fr_C_S¶

fr_HOCCN¶

fr_Imine¶

fr_NH0¶

fr_NH1¶

fr_NH2¶

fr_N_O¶

fr_Ndealkylation1¶

fr_Ndealkylation2¶

fr_Nhpyrrole¶

fr_SH¶

fr_aldehyde¶

fr_alkyl_carbamate¶

fr_alkyl_halide¶

fr_allylic_oxid¶

fr_amide¶

fr_amidine¶

fr_aniline¶

fr_aryl_methyl¶

fr_azide¶

fr_azo¶

fr_barbitur¶

fr_benzene¶

fr_benzodiazepine¶

fr_bicyclic¶

fr_diazo¶

fr_dihydropyridine¶

fr_epoxide¶

fr_ester¶

fr_ether¶

fr_furan¶

fr_guanido¶

fr_halogen¶

fr_hdrzine¶

fr_hdrzone¶

fr_imidazole¶

fr_imide¶

fr_isocyan¶

fr_isothiocyan¶

fr_ketone¶

fr_ketone_Topliss¶

fr_lactam¶

fr_lactone¶

fr_methoxy¶

fr_morpholine¶

fr_nitrile¶

fr_nitro¶

fr_nitro_arom¶

fr_nitro_arom_nonortho¶

fr_nitroso¶

fr_oxazole¶

fr_oxime¶

fr_para_hydroxylation¶

fr_phenol¶

fr_phenol_noOrthoHbond¶

fr_phos_acid¶

fr_phos_ester¶

fr_piperdine¶

fr_piperzine¶

fr_priamide¶

fr_prisulfonamd¶

fr_pyridine¶

fr_quatN¶

fr_sulfide¶

fr_sulfonamd¶

fr_sulfone¶

fr_term_acetylene¶

fr_tetrazole¶

fr_thiazole¶

fr_thiocyan¶

fr_thiophene¶

fr_unbrch_alkane¶

fr_urea¶

id¶

modified_at¶

name¶

qed¶