smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000022143295 343042402 /nfs/dbraw/zinc/04/24/02/343042402.db2.gz CDPRKIQMGOCHIX-UHFFFAOYSA-N 1 2 248.153 3.587 50 10 BHCALO O=C1C=CC(=NNc2ccc3[nH]c[nH+]c3c2)C=C1 ZINC000096191715 183267127 /nfs/dbraw/zinc/26/71/27/183267127.db2.gz WHDCTGTUAPTVHK-WUKNDPDISA-N 1 2 238.250 3.684 50 10 BHCALO