smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000035080511 569674467 /nfs/dbraw/zinc/67/44/67/569674467.db2.gz JLKJTHLSMXFFKZ-UHFFFAOYSA-N 1 2 461.522 3.563 10 5 JHBELO