smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2csc(NC(=N)N)n2)cc1[N+](=O)[O-] ZINC000036057460 358849659 /nfs/dbraw/zinc/84/96/59/358849659.db2.gz QXQRIOMDNCOOQY-UHFFFAOYSA-N 1 0 293.308 1.632 30 30 CDECRO