smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1([N+](=O)[O-])CN(CC(=O)[O-])CN(CC(=O)[O-])C1 ZINC000019320018 409539630 /nfs/dbraw/zinc/53/96/30/409539630.db2.gz NIKUAKRRUDGGDT-UHFFFAOYSA-N -2 0 261.234 -1.234 50 5 CABARL