smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1csc(-c2nc3ccccc3c3[nH+]c4ccccc4n32)c1 ZINC000043077912 183334179 /nfs/dbraw/zinc/33/41/79/183334179.db2.gz XYBDIYUOIFVEGW-UHFFFAOYSA-N 1 2 301.374 4.764 1 5 DJBFLO