smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCN1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001210029166 978489084 /nfs/dbraw/zinc/48/90/84/978489084.db2.gz RJSGUOIXVHFCHN-UHFFFAOYSA-N 2 3 319.453 -0.122 20 10 DBCDHP