smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNC(=O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000159679150 530553265 /nfs/dbraw/zinc/55/32/65/530553265.db2.gz HVCMBBWWCALRTA-UHFFFAOYSA-N -1 1 386.655 0.538 20 70 GCIDMM C[C@@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756195 948803301 /nfs/dbraw/zinc/80/33/01/948803301.db2.gz NNCVLBLZGAVYSY-ZETCQYMHSA-N -1 1 398.355 0.596 20 70 GCIDMM C[C@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756194 948800754 /nfs/dbraw/zinc/80/07/54/948800754.db2.gz NNCVLBLZGAVYSY-SSDOTTSWSA-N -1 1 398.355 0.596 20 70 GCIDMM