smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C(NCCc1ccccc1)N/N=C1\C2CN3CC1(Cc1ccccc1)CN(C2)CC3 ZINC000020522224 526383503 /nfs/dbraw/zinc/38/35/03/526383503.db2.gz XXIWXQDVCLYAQC-SLEBQGDGSA-N 0 3 433.625 2.539 10 30 IFEEHN