smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1c2cc(OC)ccc2[nH+]c2ccc(OC)cc21 ZINC000005582568 170116170 /nfs/dbraw/zinc/11/61/70/170116170.db2.gz PLLQIVPARRRCRU-UHFFFAOYSA-N 1 2 299.395 4.517 1 5 CJBFLO