smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCC(CO)(/[N+](O)=N/OC)/[N+](O)=N/OC ZINC000225413196 352248749 /nfs/dbraw/zinc/24/87/49/352248749.db2.gz OAIGGTXRABSMQP-UHFFFAOYSA-N 2 0 254.243 -0.458 50 10 CBCARP