smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCCC3)c2n1 ZINC000001558201 570501913 /nfs/dbraw/zinc/50/19/13/570501913.db2.gz OHPZUVWJMBDZHL-UHFFFAOYSA-N 2 2 370.884 4.343 40 5 FIBBLP