smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(O)c(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000408904437 257225870 /nfs/dbraw/zinc/22/58/70/257225870.db2.gz JLCDMDRLPUFLGN-VGOFMYFVSA-N -1 2 303.230 2.665 40 30 DFEBLM