On 13/01/2018 18:52, Rajarshi Guha wrote:
Hi, I'm using RDKit 2017.09 with Postgres 9.5 and a substructure query is failing when the query SMILES isC1=CC=C(C=C1)[N]2=CC=CC3=C2C4=C(C=CC(=C4)C5=CC=CN=C5)N=C3
Within [] the formal charge must be specified: C1=CC=C(C=C1)[N+]2=CC=CC3=C2C4=C(C=CC(=C4)C5=CC=CN=C5)N=C3
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