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/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/rdkit_addh/
H A D1aen_25t.sdf33 M CHG 1 3 1
H A D1aeg_4ap.sdf33 M CHG 1 1 1
H A D1aeo_2ap.sdf33 M CHG 1 1 1
H A D2afz_nvi.sdf33 M CHG 1 1 1
H A D3f9b_pdv.sdf25 M CHG 4 1 -1 5 -1 8 -1 9 -1
H A D5c7v_pyc.sdf29 M CHG 1 2 -1
H A D1aed_dti.sdf35 M CHG 1 1 1
H A D2w93_py0.sdf34 M CHG 1 6 -1
H A D5fxx_oaa.sdf28 M CHG 1 2 -1
H A D5fyv_oaa.sdf28 M CHG 1 2 -1
H A D5nqq_oaa.sdf28 M CHG 1 2 -1
H A D1s83_4ha.sdf40 M CHG 1 6 1
H A D1oaa_oaa.sdf28 M CHG 1 2 -1
H A D1cci_dmi.sdf37 M CHG 1 1 1
H A D1nas_oaa.sdf28 M CHG 1 2 -1
H A D1cmp_dmi.sdf37 M CHG 1 1 1
H A D2qf2_oaa.sdf28 M CHG 1 2 -1
H A D2qf1_oaa.sdf28 M CHG 1 2 -1
H A D1evi_2pc.sdf35 M CHG 2 1 1 8 -1
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/test_data/
H A Dcanon_reorder2.mol62 M CHG 4 7 1 10 1 20 1 24 1
H A Dcanon_reorder1.mol62 M CHG 4 6 1 14 1 18 1 27 1
/dports/biology/molden/molden5.8/plush/
H A DCHG1 mol="CHG" Charge="0"
/dports/science/cdk/cdk-cdk-2.3/base/testdata/src/test/resources/data/mdl/
H A Dzinc_1309609.sdf72 M CHG 4 8 1 10 -1 18 1 20 -1
/dports/science/openbabel/openbabel-3.1.1/test/files/
H A Dculgi_00.mol75 M CHG 1 34 -1
H A Dculgi_02.mol71 M CHG 1 31 1

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