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)P(CC[NH2+]CC[PH+](C(C)C)C(C)C)C(C)C ZINC000034742501 563451127 /nfs/dbraw/zinc/45/11/27/563451127.db2.gz FTVIGQGOGIHMBS-UHFFFAOYSA-N 2 1 305.427 5.173 50 0 DKAAMP