smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1[O-] ZINC000059198526 195394816 /nfs/dbraw/zinc/39/48/16/195394816.db2.gz HJAPCGKORQNTSV-WUXMJOGZSA-N -2 3 467.728 4.488 10 10 JICEHL COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1C)CN(Cc1ccccc1[O-])CC2 ZINC000019607638 556357270 /nfs/dbraw/zinc/35/72/70/556357270.db2.gz DFBIOTQEXMEADO-UHFFFAOYSA-N -2 3 486.615 4.216 10 10 JICEHL