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)SC1=Cc1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 ZINC000035128621 212160361 /nfs/dbraw/zinc/16/03/61/212160361.db2.gz SHSOLTGELRGKFN-ZROIWOOFSA-N -1 1 380.516 5.349 10 5 GKBEMM