smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([O-])c1ccc2cc(N=Nc3c(O)ccc4ccccc43)c([O-])cc2c1 ZINC000068601111 205272128 /nfs/dbraw/zinc/27/21/28/205272128.db2.gz SCOATMYMHLMIQV-QURGRASLSA-N -2 3 394.408 5.066 40 10 GKCBHL