smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])N[NH2+]c1cc(O)c[nH]1 832744843 603582199 /nfs/dbraw/zinc/58/21/99/603582199.db2.gz OVTKYGIGBGPCSF-UHFFFAOYSA-N 0 0 157.129 -0.387 20 50 ABGDRN