smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1c(C)[nH+]c2c(c1Nc1ccc(N3CCN(C)[C@@H](C)C3)cc1)CCCC2 ZINC000166689315 536070365 /nfs/dbraw/zinc/07/03/65/536070365.db2.gz AWRXNUNJSQSZSP-KRWDZBQOSA-N 1 3 378.564 4.715 1 0 GJAFHO