smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cccc([N+](=O)[O-])c3c2[O-])cc1 ZINC000013440345 562963017 /nfs/dbraw/zinc/96/30/17/562963017.db2.gz RVAUDRRVJOFJJT-UHFFFAOYSA-N -2 1 483.477 4.611 1 5 JJBFML