smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2ccccc2c([O-])c1N=Nc1ccccc1 ZINC000253529454 570387161 /nfs/dbraw/zinc/38/71/61/570387161.db2.gz XCFGSTMILLZSFI-UHFFFAOYSA-N -2 0 265.272 4.061 50 10 CICARL