smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn2c([nH]c(C)c(Cc3ccccc3)c2=O)c1C(=O)[O-] ZINC000103795330 364668702 /nfs/dbraw/zinc/66/87/02/364668702.db2.gz DCPFWQVIBPRJEV-UHFFFAOYSA-N -1 2 297.314 2.341 50 10 CECALM