smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(N)Nc1nc(C[S@](=O)CCC(N)=NS(N)(=O)=O)cs1 ZINC000006057214 219711743 /nfs/dbraw/zinc/71/17/43/219711743.db2.gz LAZSSGBZNCVJCB-FQEVSTJZSA-N 0 1 353.455 -1.352 10 30 in-vitro FAEEMN