smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(CC[NH+]1CCC([NH3+])CC1)(c1ccccc1)c1ccccc1 ZINC000095559570 185380065 /nfs/dbraw/zinc/38/00/65/185380065.db2.gz MYUNWKYEAPYPNH-UHFFFAOYSA-N 2 1 319.452 3.309 1 30 DGEFMP