smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc(Cl)c1[O-] ZINC000005131402 204114524 /nfs/dbraw/zinc/11/45/24/204114524.db2.gz RGQQBNJGJNGXGH-XYOKQWHBSA-N -2 1 389.860 5.069 50 0 GKAAML