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(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1cc(Br)cc(Cl)c1[O-] ZINC001306817495 1069639636 /nfs/dbraw/zinc/63/96/36/1069639636.db2.gz PQKVSOZSXKERMZ-UHFFFAOYSA-N -2 0 454.733 3.836 20 0 JHADRL