smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000059489994 569606067 /nfs/dbraw/zinc/60/60/67/569606067.db2.gz BOTFEWFQHJEKSO-UHFFFAOYSA-N 2 2 486.598 2.595 40 30 JFEBLP