smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(C(=O)NCC2([NH+]3CCCC3)CCCCC2)(c2ccccc2)CC1 ZINC000218371905 570332779 /nfs/dbraw/zinc/33/27/79/570332779.db2.gz GNKXTANIFOWOOX-UHFFFAOYSA-N 1 3 383.580 3.565 50 70 GHIAHO