smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2ccc3c4ccc(S(=O)(=O)N5CC[NH+](C)CC5)cc4oc(=O)c3c2)CC1 ZINC000016361617 553561220 /nfs/dbraw/zinc/56/12/20/553561220.db2.gz BGYONBHTPGRAAH-UHFFFAOYSA-N 1 2 520.633 0.818 50 5 KCBALO