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)S/C1=C/c1ccc(Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC000012370128 527057372 /nfs/dbraw/zinc/05/73/72/527057372.db2.gz PTEBZDPUWVVWQU-SDQBBNPISA-N -1 1 443.453 4.649 10 10 IJCEMM O=S(=O)(Nc1cc(Sc2nc[nH]n2)c([O-])c2ccccc12)c1cccc2ccccc21 ZINC000008859979 562965281 /nfs/dbraw/zinc/96/52/81/562965281.db2.gz HYZADLMPLQVWJU-UHFFFAOYSA-N -1 1 448.529 4.769 10 10 IJCEMM