smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)N=C([O-])C1=CNCCNC=C1C(=O)[N-]C(=S)NC1=O ZINC000003066978 204077278 /nfs/dbraw/zinc/07/72/78/204077278.db2.gz FLCJZBIBVRLBPG-UHFFFAOYSA-N -3 3 368.400 -3.005 50 10 FACAHL O=C1[N-]C(=S)NC(=O)C1=CC=CC=CC1C(=O)NC(=S)N=C1[O-] ZINC000100496246 222244710 /nfs/dbraw/zinc/24/47/10/222244710.db2.gz LFYHUCUXVULCOB-ZPUQHVIOSA-N -2 3 350.381 -1.297 50 10 FACAHL