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        "CYP2C9_isoform_image": true,
        "CYP2D6_isoform_image": true,
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        "HBD": "4",
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        "InChIKey": "SNNBPMAXGYBMHM-JXOAFFINSA-N",
        "RCSB_ligands": "",
        "TPSA": "139.8",
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        "atoms": "18",
        "building_blocks": "",
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        "degeneracy": "not applicable",
        "formula": "C10H14N2O5S",
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        "in_RNA": "Yes",
        "kingdom_types": "Eukaryota",
        "lc_elution_comment": "between G and A (Kellner 2014)",
        "lc_elution_time": "1,36 (Kellner 2014)",
        "lc_reference_article": "906",
        "log_P": "-1.1742",
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        "modified_residue_2D_mol2_file": true,
        "modified_residue_2D_mol_file": true,
        "modified_residue_2D_pdb_file": true,
        "modified_residue_2D_sdf_file": true,
        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
        "modified_residue_3D_mol_file": true,
        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
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        "msmsms_file": false,
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        "rna_types": "tRNA",
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        "tautomers_smiles": true
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        "CYP2D6_isoform_image": true,
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        "InChIKey": "PHFMCMDFWSZKGD-IOSLPCCCSA-N",
        "RCSB_ligands": "",
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        "building_blocks": "",
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        "degeneracy": "not applicable",
        "formula": "C12H17N5O4S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "",
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        "log_P": "-0.7256",
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        "modified_residue_2D_pdb_file": true,
        "modified_residue_2D_sdf_file": true,
        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
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        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
        "modomics_code": "2000000621A",
        "moiety_type": "nucleoside",
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        "ms_reference": "",
        "msms_file": false,
        "msmsms_file": false,
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        "nature": "Natural",
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        "reference_moiety": "Adenosine",
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        "related_nucleosides": "",
        "related_nucleotides": "377",
        "rna_types": "",
        "short_name": "ms2m6A",
        "smile": "CNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "tautomers_image": true,
        "tautomers_smiles": true
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        "CYP2D6_isoform_image": true,
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        "HBD": "4",
        "HMDBs": "HMDB0000089",
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        "InChIKey": "ZLOIGESWDJYCTF-XVFCMESISA-N",
        "RCSB_ligands": "",
        "TPSA": "139.8",
        "abbrev": "4",
        "atoms": "17",
        "building_blocks": "",
        "chemical_types": "heavy atom",
        "comment": "",
        "degeneracy": "not applicable",
        "formula": "C9H12N2O5S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eubacteria",
        "lc_elution_comment": "between G and A (Kellner 2014, Kellner 2014)",
        "lc_elution_time": "1,15 (Kellner 2014); 1,18 (Kellner 2014)",
        "lc_reference_article": "904,906",
        "log_P": "-1.4826",
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        "modified_residue_2D_sdf_file": true,
        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
        "modified_residue_3D_mol_file": true,
        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
        "modomics_code": "2000000074U",
        "moiety_type": "nucleoside",
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        "ms_reference": "",
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        "msmsms_file": false,
        "name": "4-thiouridine",
        "nature": "Natural",
        "product_ions": "129",
        "pubchem_id": 3954028,
        "reference_moiety": "Uridine",
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        "related_nucleosides": "",
        "related_nucleotides": "216",
        "rna_types": "tRNA",
        "short_name": "s4U",
        "smile": "OC[C@H]1O[C@@H]([n]2ccc(=S)[nH]c2=O)[C@H](O)[C@@H]1O",
        "tautomers_image": true,
        "tautomers_smiles": true
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    "11": {
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        "InChIKey": "MSGFOEBMIJOVCL-VPCXQMTMSA-N",
        "RCSB_ligands": "",
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        "abbrev": "\u2118",
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        "building_blocks": "",
        "chemical_types": "heavy atom,other",
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        "degeneracy": "not applicable",
        "formula": "C11H14N2O7S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eukaryota",
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        "lc_elution_time": "",
        "lc_reference_article": "",
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        "modified_residue_2D_sdf_file": true,
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        "modified_residue_image_file": true,
        "modomics_code": "2000002540U",
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        "ms_reference": "",
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        "msmsms_file": false,
        "name": "5-carboxymethyl-2-thiouridine",
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        "product_ions": "187/169/141",
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        "reference_moiety": "Uridine",
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        "related_nucleosides": "",
        "related_nucleotides": "391",
        "rna_types": "",
        "short_name": "cm5s2U",
        "smile": "OC(Cc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O)=O",
        "tautomers_image": true,
        "tautomers_smiles": true
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    "35": {
        "CYP2C9_isoform_image": true,
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        "HBD": "5",
        "HMDBs": "HMDB0011610",
        "InChI": "InChI=1S/C10H15N3O5S/c11-1-4-2-13(10(19)12-8(4)17)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,1,3,11H2,(H,12,17,19)/t5-,6-,7-,9-/m1/s1",
        "InChIKey": "LOEDKMLIGFMQKR-JXOAFFINSA-N",
        "RCSB_ligands": "",
        "TPSA": "165.82",
        "abbrev": "\u222b",
        "atoms": "19",
        "building_blocks": "",
        "chemical_types": "heavy atom,methyl group,other",
        "comment": "",
        "degeneracy": "not applicable",
        "formula": "C10H15N3O5S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eubacteria,Eukaryota",
        "lc_elution_comment": "",
        "lc_elution_time": "",
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        "modified_residue_2D_pdb_file": true,
        "modified_residue_2D_sdf_file": true,
        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
        "modified_residue_3D_mol_file": true,
        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
        "modomics_code": "2000002510U",
        "moiety_type": "nucleoside",
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        "ms_reference": "",
        "msms_file": false,
        "msmsms_file": false,
        "name": "5-aminomethyl-2-thiouridine",
        "nature": "Natural",
        "product_ions": "158",
        "pubchem_id": null,
        "reference_moiety": "Uridine",
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        "related_nucleosides": "",
        "related_nucleotides": "387",
        "rna_types": "",
        "short_name": "nm5s2U",
        "smile": "NCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O",
        "tautomers_image": true,
        "tautomers_smiles": true
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    "45": {
        "CYP2C9_isoform_image": true,
        "CYP2D6_isoform_image": true,
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        "HBA1": "10",
        "HBD": "6",
        "HMDBs": "HMDB0011610",
        "InChI": "InChI=1S/C12H17N3O7S/c16-4-6-8(19)9(20)11(22-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)23/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,23)/t6-,8-,9-,11-/m1/s1",
        "InChIKey": "VKLFQTYNHLDMDP-PNHWDRBUSA-N",
        "RCSB_ligands": "",
        "TPSA": "189.13",
        "abbrev": "$",
        "atoms": "23",
        "building_blocks": "",
        "chemical_types": "aminoacyl group,heavy atom,methyl group,other",
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        "degeneracy": "not applicable",
        "formula": "C12H17N3O7S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eubacteria,Eukaryota",
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "lc_reference_article": "",
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        "mass_avg": 347.344,
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        "modified_residue_2D_mol_file": true,
        "modified_residue_2D_pdb_file": true,
        "modified_residue_2D_sdf_file": true,
        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
        "modified_residue_3D_mol_file": true,
        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
        "modomics_code": "2000000251U",
        "moiety_type": "nucleoside",
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        "ms_reference": "",
        "msms_file": false,
        "msmsms_file": false,
        "name": "5-carboxymethylaminomethyl-2-thiouridine",
        "nature": "Natural",
        "product_ions": "255/273/141/216/237/225",
        "pubchem_id": 3037867,
        "reference_moiety": "Uridine",
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        "related_nucleosides": "",
        "related_nucleotides": "395",
        "rna_types": "tRNA",
        "short_name": "cmnm5s2U",
        "smile": "OC(CNCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O)=O",
        "tautomers_image": true,
        "tautomers_smiles": true
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    "51": {
        "CYP2C9_isoform_image": true,
        "CYP2D6_isoform_image": true,
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        "HBA1": "10",
        "HBD": "4",
        "HMDBs": "HMDB0030388",
        "InChI": "InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1",
        "InChIKey": "VZQXUWKZDSEQRR-SDBHATRESA-N",
        "RCSB_ligands": "",
        "TPSA": "150.85",
        "abbrev": "*",
        "atoms": "26",
        "building_blocks": "",
        "chemical_types": "heavy atom,other",
        "comment": "",
        "degeneracy": "not applicable",
        "formula": "C16H23N5O4S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eubacteria",
        "lc_elution_comment": "after m6A (Kellner 2014)",
        "lc_elution_time": "3,54 (Kellner 2014)",
        "lc_reference_article": "904",
        "log_P": "0.6108",
        "mass_avg": 381.45,
        "mass_monoiso": 381.1471,
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        "modified_residue_2D_mol2_file": true,
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        "modified_residue_2D_pdb_file": true,
        "modified_residue_2D_sdf_file": true,
        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
        "modified_residue_3D_mol_file": true,
        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
        "modomics_code": "2000002161A",
        "moiety_type": "nucleoside",
        "ms_file": false,
        "ms_reference": "",
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        "msmsms_file": false,
        "name": "2-methylthio-N6-isopentenyladenosine",
        "nature": "Natural",
        "product_ions": "250",
        "pubchem_id": 161337,
        "reference_moiety": "Adenosine",
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        "related_nucleosides": "",
        "related_nucleotides": "240",
        "rna_types": "tRNA",
        "short_name": "ms2i6A",
        "smile": "CC(C)=CCNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "tautomers_image": true,
        "tautomers_smiles": true
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    "54": {
        "CYP2C9_isoform_image": true,
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        "HBA1": "9",
        "HBD": "6",
        "HMDBs": "HMDB0000884",
        "InChI": "InChI=1S/C12H17N3O7Se/c16-4-6-8(19)9(20)11(22-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)23/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,23)/t6-,8-,9-,11-/m1/s1",
        "InChIKey": "FTQSTTKLDJRQDV-PNHWDRBUSA-N",
        "RCSB_ligands": "",
        "TPSA": "157.04",
        "abbrev": "\u22a5",
        "atoms": "23",
        "building_blocks": "",
        "chemical_types": "aminoacyl group,heavy atom,methyl group,other",
        "comment": "",
        "degeneracy": "not applicable",
        "formula": "C12H17N3O7Se",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eubacteria",
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "lc_reference_article": "",
        "log_P": "-2.9465",
        "mass_avg": 394.239,
        "mass_monoiso": 393.0239,
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        "modified_residue_2D_mol2_file": true,
        "modified_residue_2D_mol_file": true,
        "modified_residue_2D_pdb_file": true,
        "modified_residue_2D_sdf_file": true,
        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
        "modified_residue_3D_mol_file": true,
        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
        "modomics_code": "2000002051U",
        "moiety_type": "nucleoside",
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        "ms_reference": "",
        "msms_file": false,
        "msmsms_file": false,
        "name": "5-carboxymethylaminomethyl-2-selenouridine",
        "nature": "Natural",
        "product_ions": "262",
        "pubchem_id": null,
        "reference_moiety": "Uridine",
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        "related_nucleosides": "",
        "related_nucleotides": "394",
        "rna_types": "",
        "short_name": "cmnm5se2U",
        "smile": "OC(CNCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=[Se])[nH]c1=O)=O",
        "tautomers_image": true,
        "tautomers_smiles": true
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    "55": {
        "CYP2C9_isoform_image": true,
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        "HBA1": "15",
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        "HMDBs": "HMDB0041623",
        "InChI": "InChI=1S/C16H22N6O8S/c1-5(24)7(14(27)28)18-15(29)19-11-8-12(21-16(20-11)31-2)22(4-17-8)13-10(26)9(25)6(3-23)30-13/h4-7,9-10,13,23-26H,3H2,1-2H3,(H,27,28)(H2,18,19,20,21,29)/t5?,6-,7?,9-,10-,13-/m1/s1",
        "InChIKey": "MMNYGKPAZBIRKN-HZPYULPISA-N",
        "RCSB_ligands": "",
        "TPSA": "237.48",
        "abbrev": "[",
        "atoms": "31",
        "building_blocks": "",
        "chemical_types": "aminoacyl group,heavy atom,other",
        "comment": "",
        "degeneracy": "not applicable",
        "formula": "C16H22N6O8S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eubacteria,Eukaryota",
        "lc_elution_comment": "",
        "lc_elution_time": "",
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        "tautomers_smiles": true
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        "formula": "C12H19N3O8S2",
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        "InChIKey": "RHFUOMFWUGWKKO-XVFCMESISA-N",
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        "degeneracy": "not applicable",
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        "InChIKey": "GJTBSTBJLVYKAU-XVFCMESISA-N",
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        "TPSA": "139.8",
        "abbrev": "2",
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        "CYP2D6_isoform_image": true,
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        "HMDBs": "HMDB0011610",
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        "InChIKey": "HXVKEKIORVUWDR-FDDDBJFASA-N",
        "RCSB_ligands": "",
        "TPSA": "151.83",
        "abbrev": "S",
        "atoms": "20",
        "building_blocks": "",
        "chemical_types": "heavy atom,methyl group,other",
        "comment": "",
        "degeneracy": "not applicable",
        "formula": "C11H17N3O5S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eubacteria,Eukaryota",
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "lc_reference_article": "",
        "log_P": "-1.3723",
        "mass_avg": 303.335,
        "mass_monoiso": 303.0889,
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        "modified_residue_2D_mol2_file": true,
        "modified_residue_2D_mol_file": true,
        "modified_residue_2D_pdb_file": true,
        "modified_residue_2D_sdf_file": true,
        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
        "modified_residue_3D_mol_file": true,
        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
        "modomics_code": "2000002511U",
        "moiety_type": "nucleoside",
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        "ms_reference": "",
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        "msmsms_file": false,
        "name": "5-methylaminomethyl-2-thiouridine",
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        "product_ions": "172/255/273/141",
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        "related_nucleosides": "",
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        "rna_types": "tRNA",
        "short_name": "mnm5s2U",
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        "tautomers_smiles": true
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        "CYP2D6_isoform_image": true,
        "CYP3A4_isoform_image": true,
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        "HMDBs": "HMDB0000296",
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        "InChIKey": "WARUUAMZJXEUEA-ZOQUXTDFSA-N",
        "RCSB_ligands": "",
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        "degeneracy": "not applicable",
        "formula": "C10H14N2O5S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eukaryota",
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        "lc_elution_time": "",
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        "modified_residue_3D_mol2_file": true,
        "modified_residue_3D_mol_file": true,
        "modified_residue_3D_pdb_file": true,
        "modified_residue_3D_sdf_file": true,
        "modified_residue_image_file": true,
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        "moiety_type": "nucleoside",
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        "ms_reference": "",
        "msms_file": false,
        "msmsms_file": false,
        "name": "2-thio-2'-O-methyluridine",
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        "product_ions": "129",
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        "reference_moiety": "Uridine",
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        "related_nucleosides": "",
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        "rna_types": "",
        "short_name": "s2Um",
        "smile": "CO[C@H]1[C@H]([n]2ccc(=O)[nH]c2=S)O[C@H](CO)[C@H]1O",
        "tautomers_image": true,
        "tautomers_smiles": true
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        "CYP2D6_isoform_image": true,
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        "HMDBs": "HMDB0030388",
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        "InChIKey": "QEWSGVMSLPHELX-SDBHATRESA-N",
        "RCSB_ligands": "",
        "TPSA": "171.08",
        "abbrev": "\u2260",
        "atoms": "27",
        "building_blocks": "",
        "chemical_types": "heavy atom,other,other",
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        "degeneracy": "not applicable",
        "formula": "C16H23N5O5S",
        "in_DNA": "No",
        "in_RNA": "Yes",
        "kingdom_types": "Eubacteria",
        "lc_elution_comment": "after m6A (Kellner 2014)",
        "lc_elution_time": "3,19 (Kellner 2014)",
        "lc_reference_article": "904",
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        "modified_residue_2D_smi_file": true,
        "modified_residue_3D_mol2_file": true,
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        "modified_residue_image_file": true,
        "modomics_code": "2000002160A",
        "moiety_type": "nucleoside",
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        "msmsms_file": false,
        "name": "2-methylthio-N6-(cis-hydroxyisopentenyl) adenosine",
        "nature": "Natural",
        "product_ions": "266",
        "pubchem_id": null,
        "reference_moiety": "Adenosine",
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        "related_nucleosides": "",
        "related_nucleotides": "375",
        "rna_types": "tRNA",
        "short_name": "ms2io6A",
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        "tautomers_smiles": true
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}