smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)NC3=O)cc2)n1 ZINC000017174118 558824849 /nfs/dbraw/zinc/82/48/49/558824849.db2.gz NJOVIQBZPGLYOP-UHFFFAOYSA-N -2 0 416.419 0.556 40 10 HCCBRL O=C1c2c([O-])cc(S(=O)(=O)[O-])c([N+](=O)[O-])c2C(=O)c2c([O-])ccc([N+](=O)[O-])c21 ZINC000020192027 527119869 /nfs/dbraw/zinc/11/98/69/527119869.db2.gz GGNWFGMEEKCPDG-UHFFFAOYSA-N -3 0 410.272 0.936 40 10 HCCBRL