smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc2[nH]c3ccccc3c(O)c-2c([O-])c1O ZINC000014774871 560226086 /nfs/dbraw/zinc/22/60/86/560226086.db2.gz HTCPQSUPNINIOJ-UHFFFAOYSA-N -1 1 243.218 1.798 1 10 biogenic,in-vitro BDCFMM