smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NC(C)=O)c(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000004291012 204036743 /nfs/dbraw/zinc/03/67/43/204036743.db2.gz PUAAYFKWVFJTQJ-UHFFFAOYSA-N 0 0 399.830 4.807 30 0 GJACRN