smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514391460 1066313059 /nfs/dbraw/zinc/31/30/59/1066313059.db2.gz KEZFEANKEQPOQP-UHFFFAOYSA-N 0 3 548.735 1.922 20 30 KDEDHN