smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccccc1COc1cc(Cl)n(Cc2ccccc2C#N)c(=O)n1 ZINC000214494144 1433361176 /nfs/dbraw/zinc/36/11/76/1433361176.db2.gz MWSGFGSQEAKGPD-UHFFFAOYSA-N 0 0 376.803 3.267 30 30 GGECRN