smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2[N+](=O)[O-])c1 ZINC000035310468 569031032 /nfs/dbraw/zinc/03/10/32/569031032.db2.gz ORPWOPVKSHTCBG-UHFFFAOYSA-N 2 2 408.502 5.195 50 5 HKBALP