smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH2+]Cc1cc(Cl)c2ccccc2c1O ZINC000045228690 175334298 /nfs/dbraw/zinc/33/42/98/175334298.db2.gz ONPVNHYERHJWRP-UHFFFAOYSA-N 1 1 263.768 4.089 1 10 CICFMO