smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)ONC(=N)CCCCCCCCCCCCC(=[NH2+])NOC(C)=O ZINC000040935020 205085670 /nfs/dbraw/zinc/08/56/70/205085670.db2.gz VDQUDQZLRIHGDE-UHFFFAOYSA-N 1 3 370.494 3.548 1 30 FHEFHO