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)[PH+](CCC[NH2+]C1CCNCC1)C(C)(C)C ZINC001246464529 1131512404 /nfs/dbraw/zinc/51/24/04/1131512404.db2.gz XRUDQXNPVPCLNW-UHFFFAOYSA-N 2 3 286.444 3.797 20 0 CHADHP