Esempio n. 1
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def test_mobile_charge2():
    """"""
    assert enumerate_resonance_smiles(
        'C[N+]1=C2N(CC1)C1=CC=CC=C1C1=C2C=CC=C1') == {
            'CN1CC[n+]2c1c1ccccc1c1ccccc12', 'C[N+]1=C2c3ccccc3-c3ccccc3N2CC1'
        }
Esempio n. 2
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def test_thiocyanate_ion2():
    """"""
    assert enumerate_resonance_smiles('[N-]=C=S') == {'N#C[S-]', '[N-]=C=S'}
Esempio n. 3
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def test_thiocyanate_ion2():
    """"""
    assert enumerate_resonance_smiles('[N-]=C=S') == {'N#C[S-]', '[N-]=C=S'}