smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1c([O-])nc2n(c1=O)CCN2 159609550 344148905 /nfs/dbraw/zinc/14/89/05/344148905.db2.gz BJBHQDDEZPYCCR-UHFFFAOYSA-N -1 1 181.195 -0.063 10 70 ABIEMM O=S(=O)(Cl)Cc1nnn[n-]1 306526332 1423691274 /nfs/dbraw/zinc/69/12/74/1423691274.db2.gz UJTJWMQSXIVNGU-UHFFFAOYSA-N -1 1 182.592 -0.732 10 70 ABIEMM