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-])c1c(N2CC[NH2+]CC2)ncnc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164732639 720554589 /nfs/dbraw/zinc/55/45/89/720554589.db2.gz BFERGAXZIPKVKV-UHFFFAOYSA-N 1 3 427.513 0.649 20 5 ICBDHO