smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Sc2ccc([N+](=O)[O-])c(O)c2)c(C)cc1Cl ZINC000035571906 563872462 /nfs/dbraw/zinc/87/24/62/563872462.db2.gz VQEJZVVCRUWZJK-UHFFFAOYSA-N 0 2 309.774 4.722 50 5 DJBALN