smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@H](CO)NC(=O)c1cccc(O)c1O ZINC000804356103 586393071 /nfs/dbraw/zinc/39/30/71/586393071.db2.gz ABXYILNGSRWQAR-LURJTMIESA-N 0 0 240.215 -1.326 20 10 BACDRN CC(=O)C(=O)COC(=O)CN1CCOCC1=O ZINC000808545554 644883849 /nfs/dbraw/zinc/88/38/49/644883849.db2.gz FHYNRXGVUXEGEJ-UHFFFAOYSA-N 0 0 243.215 -1.454 20 10 BACDRN CC(=O)C(=O)Cn1nnn(C2CC2)c1=O ZINC000809976043 586527940 /nfs/dbraw/zinc/52/79/40/586527940.db2.gz DSYDZWORIJDKNT-UHFFFAOYSA-N 0 0 210.193 -1.067 20 10 BACDRN