smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH+](CCCC)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000020527166 171240131 /nfs/dbraw/zinc/24/01/31/171240131.db2.gz FXPJWIAFXDTBQM-FMIVXFBMSA-N 0 2 275.392 4.191 40 10 CICBLN