smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC[C@]1(C)CC(=O)c2ccc([O-])cc2O1 ZINC000043990043 183391842 /nfs/dbraw/zinc/39/18/42/183391842.db2.gz QXSOXXCVPXJEIJ-LJQANCHMSA-N -1 1 304.430 5.257 10 30 DKEEMM CCCCCCCCC[C@@]1(C)CC(=O)c2ccc([O-])cc2O1 ZINC000043990048 183391701 /nfs/dbraw/zinc/39/17/01/183391701.db2.gz QXSOXXCVPXJEIJ-IBGZPJMESA-N -1 1 304.430 5.257 10 30 DKEEMM