smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc2c1c(=O)n(CCCN1CCC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC1)c(=O)n2C ZINC000514388189 1066203775 /nfs/dbraw/zinc/20/37/75/1066203775.db2.gz QFVSGOUAUIVQEM-UHFFFAOYSA-N 1 1 540.629 -1.331 20 0 KAADMO