smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(C[NH+]2CCOCC2)cc(CN2CCOCC2)cc1C[NH+]1CCOCC1 ZINC000019892767 210306472 /nfs/dbraw/zinc/30/64/72/210306472.db2.gz JGTWRXHFXRFYTN-UHFFFAOYSA-N 2 2 391.512 0.889 50 10 GCCALP