smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000187045616 625414888 /nfs/dbraw/zinc/41/48/88/625414888.db2.gz NBKQZXGEJJZYMB-UHFFFAOYSA-N -2 2 308.315 2.410 10 10 DECELL