smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[n+]1c(C=C2C=C[NH+](C)C=C2)ccc2cc(OC)ccc21 ZINC000002487722 570306818 /nfs/dbraw/zinc/30/68/18/570306818.db2.gz QTYVBNPRGQTHFP-UHFFFAOYSA-N 2 2 293.390 3.512 50 10 CHCALP