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([C@H]1CCC[C@@H]1C(=O)N1CC(O)C1)N1CC(O)C1 ZINC000160705816 230183647 /nfs/dbraw/zinc/18/36/47/230183647.db2.gz UJYSNRHPEGHHFV-QWRGUYRKSA-N 0 0 268.313 -1.191 10 70 CAIERN O=C([C@@H]1CCC[C@@H]1C(=O)N1CC(O)C1)N1CC(O)C1 ZINC000160705545 230184033 /nfs/dbraw/zinc/18/40/33/230184033.db2.gz UJYSNRHPEGHHFV-PHIMTYICSA-N 0 0 268.313 -1.191 10 70 CAIERN