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([O-])CCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cc3ccccc3o2)n1 ZINC000003290110 1398332967 /nfs/dbraw/zinc/33/29/67/1398332967.db2.gz KSKLRICEYNPTDT-RIYZIHGNSA-N -2 1 399.453 3.260 10 10 GGCEML O=C([O-])c1cc(-c2cccc(O)c2[O-])nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c21 ZINC000020849757 1399354451 /nfs/dbraw/zinc/35/44/51/1399354451.db2.gz VOBKQCBVFZQVKK-UHFFFAOYSA-N -2 1 392.327 3.310 10 10 GGCEML