smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000609761421 1078537159 /nfs/dbraw/zinc/53/71/59/1078537159.db2.gz MZFOCARZXQELMF-UHFFFAOYSA-N -1 2 411.396 0.157 20 5 HCBDLM