smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)[N-]C1=S ZINC000002251509 570719388 /nfs/dbraw/zinc/71/93/88/570719388.db2.gz NEBBYAXOOGYDDZ-GXDHUFHOSA-N -2 1 382.397 2.458 40 30 GEEBML