smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNCc3cc(C(F)(F)F)cc(Cl)n3)CC2)cc1 ZINC001462565221 1068099144 /nfs/dbraw/zinc/09/91/44/1068099144.db2.gz SIPANMBCGSLQQB-UHFFFAOYSA-N 1 3 456.896 4.706 20 5 JJBDHO